BoltzMaker Report

Campaign summary

Field Value Details
Input file boltz_input.md boltz_input.md
Proteins 9 5HT2A (471 aa); H2ANG (471 aa); H2AAP (471 aa); 5HT2B (481 aa); H2BNG (481 aa); H2BAP (481 aa); 5HT2C (458 aa); H2CNG (458 aa); H2CAP (458 aa)
Partners 3 GNAQ (protein, 359 aa); GNB1 (protein, 340 aa); GNG2 (protein, 71 aa)
Ligands 6 RISP (SMILES); PSIL (SMILES); BALO (SMILES); LSD1 (SMILES); SB24 (SMILES); LORC (SMILES)
Targets (protein x ligand) 15 5HT2A_GNAQ+GNB1+GNG2_RISP, 5HT2A_GNAQ+GNB1+GNG2_PSIL, 5HT2A_RISP, 5HT2A_PSIL, 5HT2A_apo, 5HT2B_GNAQ+GNB1+GNG2_BALO, 5HT2B_GNAQ+GNB1+GNG2_LSD1, 5HT2B_BALO, 5HT2B_LSD1, 5HT2B_apo, 5HT2C_GNAQ+GNB1+GNG2_SB24, 5HT2C_GNAQ+GNB1+GNG2_LORC, 5HT2C_SB24, 5HT2C_LORC, 5HT2C_apo
Predict affinity yes pIC50 predicted for every target
Ligand chemistry 3 of 6 flagged PSIL, BALO, LORC -- see "Ligand preparation" below
Boltz predict runtime 6h 19m 19s across 8 run invocations
Accelerator gpu gpu = Metal/CUDA backend used; cpu = no GPU available
Workers 0 parallel data-loading workers (Boltz's own default is 2)
MPS watermark 1.0 PYTORCH_MPS_HIGH_WATERMARK_RATIO cap -- lower avoids swap on Apple unified memory
Max parallel samples 1 Boltz's own --max_parallel_samples

Summary table

IdentityConfidenceAffinityInteractionsStructure
TargetPartnerLigandSummaryScorepTMipTMLig ipTMPPI ipTMpLDDTBinder ppIC50PhobicH-bondSaltπ-stackHalogenCIF
5HT2AGNAQ, GNB1, GNG2RISP 0.830.910.900.970.900.810.9912.60 ± 0.4661111CIF
5HT2AGNAQ, GNB1, GNG2PSIL 0.820.910.900.990.900.800.978.96 ± 0.1322010CIF
5HT2ARISP 0.800.850.980.980.000.761.0012.99 ± 0.1530130CIF
5HT2APSIL 0.810.850.990.990.000.760.979.15 ± 0.3422110CIF
5HT2AN/AN/A 0.660.61N/AN/AN/A0.67N/AN/AN/AN/AN/AN/AN/ACIF
5HT2BGNAQ, GNB1, GNG2BALO 0.810.870.860.960.860.790.529.49 ± 1.2263110CIF
5HT2BGNAQ, GNB1, GNG2LSD1 0.810.860.860.990.860.800.9611.59 ± 0.0530110CIF
5HT2BBALO 0.770.830.980.980.000.710.499.28 ± 0.9770120CIF
5HT2BLSD1 0.800.810.990.990.000.750.9511.17 ± 0.0640110CIF
5HT2BN/AN/A 0.680.64N/AN/AN/A0.69N/AN/AN/AN/AN/AN/AN/ACIF
5HT2CGNAQ, GNB1, GNG2SB24 0.830.900.880.980.880.820.7611.02 ± 0.6771011CIF
5HT2CGNAQ, GNB1, GNG2LORC 0.830.890.860.990.860.820.979.88 ± 0.4431002CIF
5HT2CSB24 0.780.750.980.980.000.730.7110.84 ± 0.8581021CIF
5HT2CLORC 0.780.760.980.980.000.730.979.96 ± 0.4941002CIF
5HT2CN/AN/A 0.670.65N/AN/AN/A0.67N/AN/AN/AN/AN/AN/AN/ACIF

Ligand preparation

3 of 6 ligand(s) flagged for chemistry review -- these are advisory, not errors; verify the input SMILES reflects what you intended before trusting the results below.

Ligand Chemistry notes
PSIL ionizable group(s) present (phenol) -- verify the SMILES reflects your intended protonation state
BALO undefined stereocentre(s) at atom index 15, 18
LORC ionizable group(s) present (primary/secondary amine) -- verify the SMILES reflects your intended protonation state

Ligand structures

No shared scaffold or substructure detected across the set -- ligands are structurally distinct.

Sundefined stereocentreAcarboxylic acidNprimary/secondary aminePhphenolSO3sulfonic acidsaltsalt/disconnected fragment
RISP
RISP structure
MW 410 · cLogP 3.6 · TPSA 64
PSILPh
PSIL structure
MW 204 · cLogP 2.0 · TPSA 39
BALOS
BALO structure
MW 410 · cLogP 4.4 · TPSA 56
LSD1
LSD1 structure
MW 323 · cLogP 2.9 · TPSA 39
SB24
SB24 structure
MW 395 · cLogP 5.1 · TPSA 67
LORCN
LORC structure
MW 196 · cLogP 2.6 · TPSA 12

Download PDF · Download SMILES

Scaffolds: Bemis-Murcko, exact match first, then Tanimoto-clustered (Morgan r=2, 2048-bit, threshold 0.60) whole-group MCS as a verified fallback. Minimum highlighted substructure size: 8 heavy atoms. Stereocentre/ionizable-group highlighting from this campaign's own ligand-preparation check (see above).

Ranked predicted pIC50

Ranked confidence

Family x ligand selectivity

pIC50 vs confidence score

Interaction counts by type

pIC50 vs binder probability

5HT2A_GNAQ+GNB1+GNG2: residue interaction fingerprint

5HT2B_GNAQ+GNB1+GNG2: residue interaction fingerprint

5HT2C_GNAQ+GNB1+GNG2: residue interaction fingerprint

5HT2A: residue interaction fingerprint

5HT2B: residue interaction fingerprint

5HT2C: residue interaction fingerprint

5HT2A_GNAQ+GNB1+GNG2_RISP: binding site

Interaction Residue Number Chain Distance
halogen bonds PHE 234 A 2.70
hydrogen bonds TYR 370 A 3.67
hydrophobic TYR 139 A 3.52
hydrophobic TRP 151 A 3.20
hydrophobic TRP 151 A 3.89
hydrophobic VAL 156 A 3.99
hydrophobic LEU 229 A 3.65
hydrophobic PHE 339 A 3.56
pi stacks PHE 340 A 5.33
salt bridges ASP 155 A 3.00

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5HT2A_GNAQ+GNB1+GNG2_PSIL: binding site

Interaction Residue Number Chain Distance
hydrogen bonds SER 242 A 3.72
hydrogen bonds ASN 343 A 3.71
hydrophobic LEU 229 A 3.49
hydrophobic PHE 339 A 3.75
pi stacks PHE 340 A 4.91

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5HT2A_RISP: binding site

Interaction Residue Number Chain Distance
hydrophobic TRP 151 A 3.12
hydrophobic TRP 336 A 3.60
hydrophobic LEU 362 A 3.49
pi stacks TRP 336 A 5.00
pi stacks TRP 336 A 4.94
pi stacks PHE 340 A 4.76
salt bridges ASP 155 A 3.16

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5HT2A_PSIL: binding site

Interaction Residue Number Chain Distance
hydrogen bonds THR 160 A 3.59
hydrogen bonds ASN 343 A 3.49
hydrophobic LEU 229 A 3.62
hydrophobic PHE 339 A 3.77
pi stacks PHE 340 A 4.94
salt bridges ASP 155 A 2.79

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5HT2B_GNAQ+GNB1+GNG2_BALO: binding site

Interaction Residue Number Chain Distance
hydrogen bonds MET 1 A 3.71
hydrogen bonds GLY 221 A 4.06
hydrogen bonds SER 222 A 4.05
hydrophobic VAL 136 A 3.59
hydrophobic PRO 189 A 3.48
hydrophobic PHE 217 A 3.55
hydrophobic MET 218 A 3.87
hydrophobic TRP 337 A 3.60
hydrophobic PHE 340 A 3.68
pi stacks PHE 341 A 4.81
salt bridges ASP 135 A 3.27

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5HT2B_GNAQ+GNB1+GNG2_LSD1: binding site

Interaction Residue Number Chain Distance
hydrophobic LEU 132 A 2.94
hydrophobic PHE 217 A 3.64
hydrophobic PHE 340 A 3.43
pi stacks PHE 341 A 5.00
salt bridges ASP 135 A 3.04

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5HT2B_BALO: binding site

Interaction Residue Number Chain Distance
hydrophobic VAL 136 A 3.77
hydrophobic PRO 189 A 3.91
hydrophobic VAL 190 A 3.61
hydrophobic PHE 214 A 3.94
hydrophobic PHE 217 A 3.51
hydrophobic TRP 337 A 3.60
hydrophobic PHE 340 A 3.80
pi stacks PHE 340 A 5.14
pi stacks PHE 341 A 4.74
salt bridges ASP 135 A 3.33

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5HT2B_LSD1: binding site

Interaction Residue Number Chain Distance
hydrophobic LEU 132 A 3.09
hydrophobic PHE 217 A 3.63
hydrophobic PHE 340 A 3.42
hydrophobic VAL 366 A 3.85
pi stacks PHE 341 A 5.09
salt bridges ASP 135 A 2.98

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5HT2C_GNAQ+GNB1+GNG2_SB24: binding site

Interaction Residue Number Chain Distance
halogen bonds PHE 214 A 3.87
hydrogen bonds TYR 358 A 3.99
hydrophobic TYR 118 A 3.53
hydrophobic TRP 130 A 3.51
hydrophobic VAL 135 A 3.70
hydrophobic VAL 208 A 3.04
hydrophobic ALA 222 A 3.62
hydrophobic VAL 354 A 3.64
hydrophobic VAL 354 A 3.66
pi stacks PHE 328 A 5.40

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5HT2C_GNAQ+GNB1+GNG2_LORC: binding site

Interaction Residue Number Chain Distance
halogen bonds PHE 214 A 3.91
halogen bonds VAL 215 A 3.82
hydrogen bonds TYR 358 A 4.05
hydrophobic VAL 135 A 3.61
hydrophobic PHE 328 A 3.64
hydrophobic PHE 328 A 3.67

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5HT2C_SB24: binding site

Interaction Residue Number Chain Distance
halogen bonds PHE 214 A 3.84
hydrogen bonds TYR 358 A 4.08
hydrophobic ALA 113 A 3.77
hydrophobic TRP 130 A 3.79
hydrophobic VAL 135 A 3.82
hydrophobic VAL 208 A 3.58
hydrophobic ALA 222 A 3.76
hydrophobic PHE 327 A 3.34
hydrophobic VAL 354 A 3.83
hydrophobic VAL 354 A 3.01
pi stacks TYR 118 A 5.26
pi stacks PHE 328 A 5.08

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5HT2C_LORC: binding site

Interaction Residue Number Chain Distance
halogen bonds PHE 214 A 3.98
halogen bonds VAL 215 A 3.87
hydrogen bonds TYR 358 A 4.05
hydrophobic VAL 135 A 3.48
hydrophobic ALA 222 A 3.96
hydrophobic PHE 328 A 3.45
hydrophobic PHE 328 A 3.48

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Secondary structure shifts (apo vs holo)

FamilyStatusDetail
5HT2A_GNAQ+GNB1+GNG2OK28 motif row(s) across 2 target(s), annotator=gpcr
5HT2AOK28 motif row(s) across 2 target(s), annotator=gpcr
5HT2ANo apo structure configuredNo 'Apo structure:' configured for this family
5HT2B_GNAQ+GNB1+GNG2OK28 motif row(s) across 2 target(s), annotator=gpcr
5HT2BOK28 motif row(s) across 2 target(s), annotator=gpcr
5HT2BNo apo structure configuredNo 'Apo structure:' configured for this family
5HT2C_GNAQ+GNB1+GNG2OK26 motif row(s) across 2 target(s), annotator=gpcr
5HT2COK26 motif row(s) across 2 target(s), annotator=gpcr
5HT2CNo apo structure configuredNo 'Apo structure:' configured for this family
IdentityShiftHelix geometryBackbone
FamilyTargetLigandMotifKindSourceN resRMSD (A)Centroid delta (A)Axis rot (deg)Kink apo (deg)Kink holo (deg)Kink delta (deg)Flagged phi/psi
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOH8helixgpcr121.351.302.8135.4735.18-0.290
5HT2B5HT2B_BALOBALOH8helixgpcr120.350.271.4235.4733.74-1.730
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM1helixgpcr292.381.826.6215.8710.25-5.620
5HT2B5HT2B_BALOBALOTM1helixgpcr290.830.681.6415.8719.493.620
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM2helixgpcr302.151.376.509.0416.897.840
5HT2B5HT2B_BALOBALOTM2helixgpcr301.371.043.199.0415.186.140
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM3helixgpcr361.721.353.2920.2914.69-5.590
5HT2B5HT2B_BALOBALOTM3helixgpcr361.080.563.2120.2920.08-0.210
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM4helixgpcr271.841.683.2423.5721.58-1.980
5HT2B5HT2B_BALOBALOTM4helixgpcr271.181.021.9723.5716.80-6.771
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM5helixgpcr412.732.192.7813.032.27-10.762
5HT2B5HT2B_BALOBALOTM5helixgpcr411.360.383.0913.038.65-4.392
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM6helixgpcr382.682.113.3732.5028.33-4.180
5HT2B5HT2B_BALOBALOTM6helixgpcr381.180.393.7332.5033.480.980
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOTM7helixgpcr301.731.404.1227.0727.150.070
5HT2B5HT2B_BALOBALOTM7helixgpcr301.070.991.3827.0726.99-0.080
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOECL1loopgpcr42.362.34N/AN/AN/AN/A1
5HT2B5HT2B_BALOBALOECL1loopgpcr42.282.23N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOECL2loopgpcr1220.408.37N/AN/AN/AN/A4
5HT2B5HT2B_BALOBALOECL2loopgpcr1211.205.44N/AN/AN/AN/A1
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOECL3loopgpcr11.341.34N/AN/AN/AN/A0
5HT2B5HT2B_BALOBALOECL3loopgpcr10.490.49N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOICL1loopgpcr41.681.68N/AN/AN/AN/A0
5HT2B5HT2B_BALOBALOICL1loopgpcr40.720.71N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOICL2loopgpcr1322.1812.67N/AN/AN/AN/A5
5HT2B5HT2B_BALOBALOICL2loopgpcr138.232.46N/AN/AN/AN/A7
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_BALOBALOICL3loopgpcr624.6816.27N/AN/AN/AN/A1
5HT2B5HT2B_BALOBALOICL3loopgpcr618.1612.17N/AN/AN/AN/A0
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCH8helixgpcr143.423.307.872.592.47-0.120
5HT2C5HT2C_LORCLORCH8helixgpcr141.030.884.682.597.334.740
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM1helixgpcr283.121.365.4420.759.96-10.794
5HT2C5HT2C_LORCLORCTM1helixgpcr281.960.694.7220.756.81-13.951
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM2helixgpcr311.410.874.5319.9120.630.720
5HT2C5HT2C_LORCLORCTM2helixgpcr310.620.570.7419.9119.80-0.100
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM3helixgpcr362.061.465.0916.1010.47-5.630
5HT2C5HT2C_LORCLORCTM3helixgpcr360.660.461.5216.1015.19-0.910
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM4helixgpcr301.981.505.0026.4320.31-6.120
5HT2C5HT2C_LORCLORCTM4helixgpcr300.330.140.9126.4327.611.180
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM5helixgpcr393.082.624.045.647.852.221
5HT2C5HT2C_LORCLORCTM5helixgpcr391.601.133.195.646.080.441
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM6helixgpcr382.862.164.9931.7228.37-3.350
5HT2C5HT2C_LORCLORCTM6helixgpcr381.391.032.5831.7236.554.830
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCTM7helixgpcr301.791.285.0127.1029.842.740
5HT2C5HT2C_LORCLORCTM7helixgpcr300.730.680.3027.1025.46-1.640
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCECL1loopgpcr41.961.94N/AN/AN/AN/A0
5HT2C5HT2C_LORCLORCECL1loopgpcr41.000.99N/AN/AN/AN/A0
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCECL2loopgpcr1030.3419.95N/AN/AN/AN/A1
5HT2C5HT2C_LORCLORCECL2loopgpcr1017.2910.65N/AN/AN/AN/A1
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCICL1loopgpcr42.512.49N/AN/AN/AN/A0
5HT2C5HT2C_LORCLORCICL1loopgpcr40.480.46N/AN/AN/AN/A0
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCICL2loopgpcr2019.3811.37N/AN/AN/AN/A5
5HT2C5HT2C_LORCLORCICL2loopgpcr209.153.32N/AN/AN/AN/A7
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_LORCLORCICL3loopgpcr222.4813.94N/AN/AN/AN/A0
5HT2C5HT2C_LORCLORCICL3loopgpcr229.8520.40N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1H8helixgpcr121.981.971.0035.4734.61-0.860
5HT2B5HT2B_LSD1LSD1H8helixgpcr120.990.961.6035.4733.09-2.380
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM1helixgpcr291.971.306.1915.877.34-8.520
5HT2B5HT2B_LSD1LSD1TM1helixgpcr290.930.642.9215.8715.55-0.310
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM2helixgpcr301.870.357.169.0416.767.720
5HT2B5HT2B_LSD1LSD1TM2helixgpcr301.020.593.179.0412.793.750
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM3helixgpcr361.881.384.0720.2913.02-7.270
5HT2B5HT2B_LSD1LSD1TM3helixgpcr360.940.562.7020.2919.17-1.120
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM4helixgpcr272.261.865.9623.5719.17-4.391
5HT2B5HT2B_LSD1LSD1TM4helixgpcr271.120.962.0023.5718.45-5.121
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM5helixgpcr414.543.326.4113.0316.483.442
5HT2B5HT2B_LSD1LSD1TM5helixgpcr411.090.112.8313.0311.32-1.720
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM6helixgpcr384.612.387.6032.5023.91-8.604
5HT2B5HT2B_LSD1LSD1TM6helixgpcr381.360.723.8432.5035.142.640
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1TM7helixgpcr301.630.546.4427.0729.632.560
5HT2B5HT2B_LSD1LSD1TM7helixgpcr301.040.892.2427.0726.03-1.040
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ECL1loopgpcr42.332.30N/AN/AN/AN/A1
5HT2B5HT2B_LSD1LSD1ECL1loopgpcr42.122.09N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ECL2loopgpcr1221.599.69N/AN/AN/AN/A3
5HT2B5HT2B_LSD1LSD1ECL2loopgpcr1211.705.07N/AN/AN/AN/A2
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ECL3loopgpcr11.751.75N/AN/AN/AN/A0
5HT2B5HT2B_LSD1LSD1ECL3loopgpcr11.451.45N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ICL1loopgpcr42.352.35N/AN/AN/AN/A0
5HT2B5HT2B_LSD1LSD1ICL1loopgpcr40.740.73N/AN/AN/AN/A0
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ICL2loopgpcr1325.4913.10N/AN/AN/AN/A5
5HT2B5HT2B_LSD1LSD1ICL2loopgpcr138.321.41N/AN/AN/AN/A9
5HT2B_GNAQ+GNB1+GNG25HT2B_GNAQ+GNB1+GNG2_LSD1LSD1ICL3loopgpcr613.865.67N/AN/AN/AN/A0
5HT2B5HT2B_LSD1LSD1ICL3loopgpcr615.017.46N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILH8helixgpcr141.630.7612.924.381.07-3.310
5HT2A5HT2A_PSILPSILH8helixgpcr140.830.495.774.382.14-2.240
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM1helixgpcr342.071.384.4439.1638.53-0.634
5HT2A5HT2A_PSILPSILTM1helixgpcr340.800.482.1539.1638.28-0.892
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM2helixgpcr311.010.353.5523.8619.35-4.521
5HT2A5HT2A_PSILPSILTM2helixgpcr310.490.281.6123.8622.78-1.080
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM3helixgpcr361.461.032.7319.5710.90-8.680
5HT2A5HT2A_PSILPSILTM3helixgpcr360.580.460.7119.5720.520.950
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM4helixgpcr300.930.870.9025.0223.88-1.150
5HT2A5HT2A_PSILPSILTM4helixgpcr300.750.522.0125.0228.633.611
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM5helixgpcr413.221.736.516.906.44-0.453
5HT2A5HT2A_PSILPSILTM5helixgpcr411.290.901.076.902.85-4.052
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM6helixgpcr382.501.974.3429.6826.82-2.870
5HT2A5HT2A_PSILPSILTM6helixgpcr382.500.827.2129.6835.906.220
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILTM7helixgpcr302.151.634.0628.1727.23-0.942
5HT2A5HT2A_PSILPSILTM7helixgpcr301.030.762.5728.1728.00-0.160
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILECL1loopgpcr40.810.78N/AN/AN/AN/A0
5HT2A5HT2A_PSILPSILECL1loopgpcr40.710.71N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILECL2loopgpcr1627.278.03N/AN/AN/AN/A5
5HT2A5HT2A_PSILPSILECL2loopgpcr1618.318.94N/AN/AN/AN/A3
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILECL3loopgpcr10.660.66N/AN/AN/AN/A0
5HT2A5HT2A_PSILPSILECL3loopgpcr11.001.00N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILH8looploopgpcr11.081.08N/AN/AN/AN/A0
5HT2A5HT2A_PSILPSILH8looploopgpcr10.880.88N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILICL1loopgpcr41.341.30N/AN/AN/AN/A1
5HT2A5HT2A_PSILPSILICL1loopgpcr40.420.34N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_PSILPSILICL2loopgpcr1524.7211.50N/AN/AN/AN/A5
5HT2A5HT2A_PSILPSILICL2loopgpcr1514.635.01N/AN/AN/AN/A4
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPH8helixgpcr141.730.6714.404.383.23-1.150
5HT2A5HT2A_RISPRISPH8helixgpcr140.710.375.214.380.84-3.540
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM1helixgpcr342.031.244.1339.1641.582.412
5HT2A5HT2A_RISPRISPTM1helixgpcr340.660.150.7139.1639.10-0.073
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM2helixgpcr311.210.424.1723.8617.76-6.101
5HT2A5HT2A_RISPRISPTM2helixgpcr310.250.070.6523.8621.73-2.140
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM3helixgpcr361.160.832.1019.5712.72-6.850
5HT2A5HT2A_RISPRISPTM3helixgpcr360.460.161.0719.5720.661.091
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM4helixgpcr300.990.900.9325.0225.790.770
5HT2A5HT2A_RISPRISPTM4helixgpcr300.620.152.2425.0227.892.871
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM5helixgpcr413.261.184.776.909.062.172
5HT2A5HT2A_RISPRISPTM5helixgpcr411.220.700.496.905.59-1.302
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM6helixgpcr382.682.343.5629.6830.400.720
5HT2A5HT2A_RISPRISPTM6helixgpcr382.510.737.7029.6832.362.680
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPTM7helixgpcr302.591.776.7028.1727.31-0.863
5HT2A5HT2A_RISPRISPTM7helixgpcr301.140.713.5628.1729.321.150
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPECL1loopgpcr40.870.86N/AN/AN/AN/A0
5HT2A5HT2A_RISPRISPECL1loopgpcr40.420.38N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPECL2loopgpcr1628.3110.45N/AN/AN/AN/A5
5HT2A5HT2A_RISPRISPECL2loopgpcr1616.669.35N/AN/AN/AN/A3
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPECL3loopgpcr10.510.51N/AN/AN/AN/A0
5HT2A5HT2A_RISPRISPECL3loopgpcr10.970.97N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPH8looploopgpcr10.940.94N/AN/AN/AN/A0
5HT2A5HT2A_RISPRISPH8looploopgpcr10.680.68N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPICL1loopgpcr41.891.87N/AN/AN/AN/A0
5HT2A5HT2A_RISPRISPICL1loopgpcr40.290.18N/AN/AN/AN/A0
5HT2A_GNAQ+GNB1+GNG25HT2A_GNAQ+GNB1+GNG2_RISPRISPICL2loopgpcr1518.719.43N/AN/AN/AN/A6
5HT2A5HT2A_RISPRISPICL2loopgpcr1514.772.36N/AN/AN/AN/A8
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24H8helixgpcr143.363.238.442.592.23-0.360
5HT2C5HT2C_SB24SB24H8helixgpcr141.441.147.862.591.21-1.381
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM1helixgpcr281.931.203.8420.758.85-11.901
5HT2C5HT2C_SB24SB24TM1helixgpcr281.880.565.7720.758.77-11.981
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM2helixgpcr311.420.595.2319.9117.28-2.630
5HT2C5HT2C_SB24SB24TM2helixgpcr310.980.762.4019.9120.650.740
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM3helixgpcr362.121.525.2516.1010.78-5.320
5HT2C5HT2C_SB24SB24TM3helixgpcr360.930.542.4616.1019.253.150
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM4helixgpcr302.221.716.0026.4323.89-2.540
5HT2C5HT2C_SB24SB24TM4helixgpcr300.580.450.8626.4327.000.570
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM5helixgpcr392.772.412.895.647.541.911
5HT2C5HT2C_SB24SB24TM5helixgpcr391.280.432.615.644.10-1.531
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM6helixgpcr382.601.854.7531.7226.71-5.010
5HT2C5HT2C_SB24SB24TM6helixgpcr381.520.764.2131.7230.39-1.320
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24TM7helixgpcr301.981.266.1727.1031.894.790
5HT2C5HT2C_SB24SB24TM7helixgpcr301.901.162.8327.1027.950.853
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24ECL1loopgpcr42.192.18N/AN/AN/AN/A0
5HT2C5HT2C_SB24SB24ECL1loopgpcr40.830.82N/AN/AN/AN/A0
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24ECL2loopgpcr1027.5019.04N/AN/AN/AN/A1
5HT2C5HT2C_SB24SB24ECL2loopgpcr1013.808.42N/AN/AN/AN/A1
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24ICL1loopgpcr42.322.30N/AN/AN/AN/A0
5HT2C5HT2C_SB24SB24ICL1loopgpcr42.222.22N/AN/AN/AN/A0
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24ICL2loopgpcr2019.2810.60N/AN/AN/AN/A7
5HT2C5HT2C_SB24SB24ICL2loopgpcr208.152.75N/AN/AN/AN/A4
5HT2C_GNAQ+GNB1+GNG25HT2C_GNAQ+GNB1+GNG2_SB24SB24ICL3loopgpcr223.7115.82N/AN/AN/AN/A0
5HT2C5HT2C_SB24SB24ICL3loopgpcr223.9318.35N/AN/AN/AN/A0

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Per-motif Ca RMSD

Motif x target RMSD