A0A096N4M8_PAPAN Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB (G1R4T2), UniProt , Accession A0A096N4M8, Species PAPAN (Papio anubis, Olive baboon), Gene CLDN1, Length 211 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low79.1Confident221 Ų22166.9 Ų66.9100%1.08939%0.386SS*.  0116.80-65.7-174.8-80.800107.2N3M1-N3 PolarHBondContact O-N 3.39Å
2A51.3Low80.5Confident15 Ų1567.8 Ų67.812%0.12439%0.387CS..  trans-68.6113.8165.700000107.2A4 K103 M116 S185A2-A4 PolarHBondContact O-N 2.93Å; A2-K103 PolarHBondContact O-NZ 3.44Å; A2-M116 HydrophobicContact CB-CE 4.28Å; A2-S185 WeakPolarHBondContact CB-O 3.36Å
3N70.8Confident81.7Confident116 Ų11665.8 Ų65.862%0.6237%0.374SS*.  trans-59.9126-178.6-69.9-11.9000107.8M1 G5 L6M1-N3 PolarHBondContact O-N 3.39Å; N3-G5 PolarHBondContact O-N 2.77Å; N3-L6 WeakPolarHBondContact O-CB 2.91Å; N3-L6 PolarHBondContact O-N 3.48Å
4A76.8Confident82.8Confident58 Ų5861.1 Ų61.148%0.47935%0.347SS..Hα-helixtrans-51.6-30178.700000112.3A2 L6 Q7 L8 K103A2-A4 PolarHBondContact O-N 2.93Å; A4-L6 PolarHBondContact O-N 3.09Å; A4-Q7 PolarHBondContact O-N 3.05Å; A4-L8 WeakPolarHBondContact O-CB 3.28Å; A4-L8 PolarHBondContact O-N 3.36Å; A4-K103 HydrophobicContact CB-CD 4.42Å
5G83.8Confident83.7Confident50 Ų5062.3 Ų62.352%0.51535%0.347SS..Hα-helixtrans-62.7-35172.800000114.8N3 L9N3-G5 PolarHBondContact O-N 2.77Å; G5-L9 WeakPolarHBondContact O-CB 3.36Å; G5-L9 PolarHBondContact O-N 2.85Å
6L86.5Confident84.6Confident63 Ų6364.1 Ų64.133%0.3336%0.356SS..Hα-helixtrans-70-40.6177.7-167.568.5000111.4N3 A4 L9 G10 L181N3-L6 WeakPolarHBondContact O-CB 2.91Å; N3-L6 PolarHBondContact O-N 3.48Å; A4-L6 PolarHBondContact O-N 3.09Å; L6-L9 PolarHBondContact O-N 3.28Å; L6-G10 PolarHBondContact O-N 2.78Å; L6-L181 HydrophobicContact CD1-CD2 3.84Å; L6-L181 HydrophobicContact CG-CD2 4.41Å
7Q88Confident85.3Confident5 Ų560.4 Ų60.42%0.02334%0.335CS..Hα-helixtrans-66.1-42.9176.8-169.4178.20.500111A4 G10 F11 G101 L182A4-Q7 PolarHBondContact O-N 3.05Å; Q7-G10 PolarHBondContact O-N 3.18Å; Q7-F11 WeakPolarHBondContact O-CB 3.38Å; Q7-F11 PolarHBondContact O-N 3.24Å; Q7-G101 PolarHBondContact NE2-O 3.37Å; Q7-L182 HydrophobicContact CG-CD2 3.81Å; Q7-L182 WeakPolarHBondContact O-CD2 3.34Å
8L90.2Very high86Confident91 Ų9159.6 Ų59.648%0.47633%0.326SS..Hα-helixtrans-64-45.8175.5-177.964.6000111.7A4 G10 F11 I12A4-L8 WeakPolarHBondContact O-CB 3.28Å; A4-L8 PolarHBondContact O-N 3.36Å; L8-G10 PolarHBondContact O-N 3.25Å; L8-F11 PolarHBondContact O-N 3.19Å; L8-I12 HydrophobicContact CD1-CD1 4.12Å; L8-I12 HydrophobicContact CD1-CG1 4.42Å; L8-I12 HydrophobicContact CG-CD1 3.89Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.2Å; L8-I12 PolarHBondContact O-N 3.47Å
9L92.7Very high86.6Confident89 Ų8960 Ų6047%0.46633%0.327SS..Hα-helixtrans-59.7-47176.2179.566.8000111.2G5 L6 F11 I12 L13 L181G5-L9 WeakPolarHBondContact O-CB 3.36Å; G5-L9 PolarHBondContact O-N 2.85Å; L6-L9 PolarHBondContact O-N 3.28Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.21Å; L9-I12 PolarHBondContact O-N 3.19Å; L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.34Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CG 3.22Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-L181 HydrophobicContact CD2-CD1 4.39Å; L9-L181 HydrophobicContact CG-CD1 4.45Å
10G93.7Very high87.1Confident0 Ų058 Ų580%032%0.32CS..Hα-helixtrans-58.8-43.4177.100000112.4L6 Q7 L8 A14 G178L6-G10 PolarHBondContact O-N 2.78Å; Q7-G10 PolarHBondContact O-N 3.18Å; L8-G10 PolarHBondContact O-N 3.25Å; G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 2.91Å; G10-A14 PolarHBondContact O-N 3.24Å; G10-G178 CarbonylContact O-C 3.59Å; G10-G178 WeakPolarHBondContact O-CA 3.42Å
11F94.3Very high87.6Confident28 Ų2855.2 Ų55.212%0.12331%0.305CS..Hα-helixtrans-63.9-46.3175.7-179.1-100.3000112.7Q7 L8 L9 L13 A14 F15 I95 A98 T99 M102 L182Q7-F11 WeakPolarHBondContact O-CB 3.38Å; Q7-F11 PolarHBondContact O-N 3.24Å; L8-F11 PolarHBondContact O-N 3.19Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.21Å; F11-L13 PolarHBondContact O-N 3.11Å; F11-A14 PolarHBondContact O-N 3.03Å; F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.36Å; F11-F15 PolarHBondContact O-N 3.11Å; F11-I95 HydrophobicContact CE2-CG2 4.39Å; F11-I95 HydrophobicContact CZ-CG2 4.3Å; F11-A98 HydrophobicContact CD2-CB 3.94Å; F11-A98 HydrophobicContact CE2-CB 4.13Å; F11-T99 HydrophobicContact CE1-CG2 4.47Å; F11-T99 HydrophobicContact CE2-CG2 3.69Å; F11-T99 HydrophobicContact CZ-CG2 3.5Å; F11-M102 HydrophobicContact CB-SD 4.01Å; F11-M102 HydrophobicContact CD1-CE 3.77Å; F11-M102 HydrophobicContact CD1-SD 4Å; F11-M102 HydrophobicContact CD2-CE 3.97Å; F11-M102 HydrophobicContact CD2-SD 4.24Å; F11-M102 HydrophobicContact CE1-CE 3.77Å; F11-M102 HydrophobicContact CE2-CE 3.97Å; F11-M102 HydrophobicContact CG-CE 3.87Å; F11-M102 HydrophobicContact CG-SD 3.8Å; F11-M102 HydrophobicContact CZ-CE 3.87Å; F11-L182 HydrophobicContact CB-CD2 4.47Å
12I95.8Very high90.2Very high78 Ų7847.7 Ų47.740%0.427%0.269SS..Hα-helixtrans-61.6-45.7179.1-69167.5000110.7L8 L9 F15 L16L8-I12 HydrophobicContact CD1-CD1 4.12Å; L8-I12 HydrophobicContact CD1-CG1 4.42Å; L8-I12 HydrophobicContact CG-CD1 3.89Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.2Å; L8-I12 PolarHBondContact O-N 3.47Å; L9-I12 PolarHBondContact O-N 3.19Å; I12-F15 PolarHBondContact O-N 3.02Å; I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.48Å; I12-L16 WeakPolarHBondContact O-CG 3.18Å; I12-L16 PolarHBondContact O-N 3.11Å
13L96.6Very high92.4Very high41 Ų4150.1 Ų50.122%0.21528%0.282CS..Hα-helixtrans-61.2-45.7177.1-71.6168.7000111.5L9 F11 F15 L16 G17 L174 L181L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.34Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CG 3.22Å; L9-L13 PolarHBondContact O-N 3.18Å; F11-L13 PolarHBondContact O-N 3.11Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.32Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-G17 PolarHBondContact O-N 2.92Å; L13-L174 HydrophobicContact CD2-CD2 3.75Å; L13-L181 HydrophobicContact CD1-CD1 3.74Å
14A96.5Very high93.6Very high0 Ų044.6 Ų44.60%025%0.253CS..Hα-helixtrans-64.1-39.1178.500000112.4G10 F11 G17 W18 F126G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 2.91Å; G10-A14 PolarHBondContact O-N 3.24Å; F11-A14 PolarHBondContact O-N 3.03Å; A14-G17 PolarHBondContact O-N 3.3Å; A14-W18 WeakPolarHBondContact O-CB 3.44Å; A14-W18 PolarHBondContact O-N 3.4Å; A14-F126 HydrophobicContact CB-CD1 3.8Å; A14-F126 HydrophobicContact CB-CD2 3.82Å; A14-F126 HydrophobicContact CB-CE1 3.76Å; A14-F126 HydrophobicContact CB-CE2 3.79Å; A14-F126 HydrophobicContact CB-CG 3.82Å; A14-F126 HydrophobicContact CB-CZ 3.73Å
15F96.8Very high94.5Very high79 Ų7942.3 Ų42.335%0.34623%0.233SC..Hα-helixtrans-67.3-44.4177.4-176.4-108.7000112.3F11 I12 L13 G17 W18 I19 I95F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.36Å; F11-F15 PolarHBondContact O-N 3.11Å; I12-F15 PolarHBondContact O-N 3.02Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.32Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.12Å; F15-W18 HydrophobicContact CD2-CE3 4.38Å; F15-W18 HydrophobicContact CE2-CE3 4.18Å; F15-W18 HydrophobicContact CE2-CZ3 4.25Å; F15-W18 PolarHBondContact O-N 3.22Å; F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CE1-CD1 3.47Å; F15-I19 VanDerWaalsContact CE1-CD1 3.47Å; F15-I19 HydrophobicContact CE1-CG1 4.42Å; F15-I19 HydrophobicContact CZ-CD1 3.87Å; F15-I19 HydrophobicContact CZ-CG1 4.46Å; F15-I19 WeakPolarHBondContact O-CG1 3.42Å; F15-I19 PolarHBondContact O-N 3.29Å; F15-I95 HydrophobicContact CD2-CD1 3.78Å; F15-I95 HydrophobicContact CD2-CG1 4.22Å; F15-I95 HydrophobicContact CE2-CD1 4.07Å
16L97.7Very high94.9Very high92 Ų9243 Ų4348%0.48223%0.233SC..Hα-helixtrans-62.7-41.1173.6-71.9174000111.6I12 L13 W18 I19 G20I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.48Å; I12-L16 WeakPolarHBondContact O-CG 3.18Å; I12-L16 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-W18 VanDerWaalsContact C-N 3.32Å; L16-W18 PolarHBondContact O-N 3.18Å; L16-I19 PolarHBondContact O-N 3.42Å; L16-G20 PolarHBondContact O-N 2.91Å
17G97.5Very high95.3Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-59.1-43173.100000112.2L13 A14 F15 G20 A21 A171L13-G17 PolarHBondContact O-N 2.92Å; A14-G17 PolarHBondContact O-N 3.3Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.12Å; G17-G20 PolarHBondContact O-N 3.46Å; G17-A21 PolarHBondContact O-N 2.79Å; G17-A171 WeakPolarHBondContact CA-O 3.32Å; G17-A171 VanDerWaalsContact O-CB 3.31Å; G17-A171 WeakPolarHBondContact O-CB 3.32Å
18W97.9Very high95.4Very high46 Ų4643.7 Ų43.717%0.17424%0.239CC..Hα-helixtrans-64.4-42.1177.7177.577.2000112.6A14 F15 L16 G20 A21 I22 I88 V92 I95 F126 C175A14-W18 WeakPolarHBondContact O-CB 3.44Å; A14-W18 PolarHBondContact O-N 3.4Å; F15-W18 HydrophobicContact CD2-CE3 4.38Å; F15-W18 HydrophobicContact CE2-CE3 4.18Å; F15-W18 HydrophobicContact CE2-CZ3 4.25Å; F15-W18 PolarHBondContact O-N 3.22Å; L16-W18 VanDerWaalsContact C-N 3.32Å; L16-W18 PolarHBondContact O-N 3.18Å; W18-G20 VanDerWaalsContact C-N 3.34Å; W18-G20 PolarHBondContact O-N 2.97Å; W18-A21 WeakPolarHBondContact O-CB 3.36Å; W18-A21 PolarHBondContact O-N 3.49Å; W18-I22 HydrophobicContact CD2-CD1 3.91Å; W18-I22 HydrophobicContact CE3-CD1 3.91Å; W18-I22 HydrophobicContact CH2-CD1 3.4Å; W18-I22 VanDerWaalsContact CH2-CD1 3.4Å; W18-I22 HydrophobicContact CZ2-CD1 3.38Å; W18-I22 HydrophobicContact CZ2-CG1 4.45Å; W18-I22 HydrophobicContact CZ3-CD1 3.67Å; W18-I22 PolarHBondContact O-N 3.43Å; W18-I22 VanDerWaalsContact O-N 3.15Å; W18-I88 PolarHBondContact NE1-O 2.96Å; W18-V92 HydrophobicContact CH2-CG2 4.39Å; W18-V92 HydrophobicContact CZ2-CG2 3.37Å; W18-I95 HydrophobicContact CB-CD1 4.5Å; W18-I95 HydrophobicContact CD2-CD1 3.58Å; W18-I95 HydrophobicContact CE3-CD1 3.63Å; W18-I95 HydrophobicContact CG-CD1 3.98Å; W18-I95 HydrophobicContact CH2-CD1 4.5Å; W18-I95 HydrophobicContact CZ2-CD1 4.46Å; W18-I95 HydrophobicContact CZ3-CD1 4.11Å; W18-F126 HydrophobicContact CB-CE1 4.49Å; W18-C175 PolarHBondContact N-SG 2.61Å; W18-C175 VanDerWaalsContact N-SG 3.37Å
19I97.8Very high95.5Very high68 Ų6841.7 Ų41.735%0.34923%0.227SC..Hα-helixtrans-60.6-45.9172.4-67169.7000110.3F15 L16 A21 I22 V23F15-I19 HydrophobicContact CD1-CD1 3.9Å; F15-I19 HydrophobicContact CE1-CD1 3.47Å; F15-I19 VanDerWaalsContact CE1-CD1 3.47Å; F15-I19 HydrophobicContact CE1-CG1 4.42Å; F15-I19 HydrophobicContact CZ-CD1 3.87Å; F15-I19 HydrophobicContact CZ-CG1 4.46Å; F15-I19 WeakPolarHBondContact O-CG1 3.42Å; F15-I19 PolarHBondContact O-N 3.29Å; L16-I19 PolarHBondContact O-N 3.42Å; I19-A21 PolarHBondContact O-N 2.92Å; I19-I22 WeakPolarHBondContact O-CB 3.43Å; I19-I22 PolarHBondContact O-N 3.47Å; I19-I22 VanDerWaalsContact O-N 3.15Å; I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.08Å; I19-V23 PolarHBondContact O-N 3.32Å
20G96.8Very high95.5Very high19 Ų1937.4 Ų37.420%0.19621%0.205CC..Hα-helixtrans-58.2-36.2176.500000112.9L16 G17 W18 V23 S24 A171L16-G20 PolarHBondContact O-N 2.91Å; G17-G20 PolarHBondContact O-N 3.46Å; W18-G20 VanDerWaalsContact C-N 3.34Å; W18-G20 PolarHBondContact O-N 2.97Å; G20-V23 PolarHBondContact O-N 2.98Å; G20-S24 VanDerWaalsContact O-CB 3.31Å; G20-S24 WeakPolarHBondContact O-CB 3.35Å; G20-S24 PolarHBondContact O-N 3.27Å; G20-A171 VanDerWaalsContact C-CB 3.49Å
21A96.8Very high95.3Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-67.5-39.1176.900000112.2G17 W18 I19 T25 I88 I133 A171G17-A21 PolarHBondContact O-N 2.79Å; W18-A21 WeakPolarHBondContact O-CB 3.36Å; W18-A21 PolarHBondContact O-N 3.49Å; I19-A21 PolarHBondContact O-N 2.92Å; A21-T25 WeakPolarHBondContact O-CB 3.28Å; A21-T25 PolarHBondContact O-N 3.26Å; A21-T25 PolarHBondContact O-OG1 3.44Å; A21-I88 HydrophobicContact CB-CG1 4.48Å; A21-I133 HydrophobicContact CB-CD1 3.53Å; A21-I133 HydrophobicContact CB-CG1 4.36Å; A21-A171 HydrophobicContact CB-CB 4.2Å
22I97.1Very high95.1Very high63 Ų6339.3 Ų39.332%0.32321%0.214SC..Hα-helixtrans-63.5-48173.5-66.8163.6000110.3W18 I19 T25 A26 I88W18-I22 HydrophobicContact CD2-CD1 3.91Å; W18-I22 HydrophobicContact CE3-CD1 3.91Å; W18-I22 HydrophobicContact CH2-CD1 3.4Å; W18-I22 VanDerWaalsContact CH2-CD1 3.4Å; W18-I22 HydrophobicContact CZ2-CD1 3.38Å; W18-I22 HydrophobicContact CZ2-CG1 4.45Å; W18-I22 HydrophobicContact CZ3-CD1 3.67Å; W18-I22 PolarHBondContact O-N 3.43Å; W18-I22 VanDerWaalsContact O-N 3.15Å; I19-I22 WeakPolarHBondContact O-CB 3.43Å; I19-I22 PolarHBondContact O-N 3.47Å; I19-I22 VanDerWaalsContact O-N 3.15Å; I22-T25 WeakPolarHBondContact O-CB 3.45Å; I22-T25 PolarHBondContact O-N 2.94Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.19Å; I22-I88 HydrophobicContact CG1-CD1 4.14Å; I22-I88 HydrophobicContact CG1-CG1 4.22Å; I22-I88 HydrophobicContact CG1-CG2 4.08Å
23V96.8Very high94.5Very high67 Ų6738.5 Ų38.541%0.40621%0.206SC..Hα-helixtrans-59.5-49.8179.4173.10000110.6I19 G20 T25 A26 L27I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.08Å; I19-V23 PolarHBondContact O-N 3.32Å; G20-V23 PolarHBondContact O-N 2.98Å; V23-T25 VanDerWaalsContact C-N 3.28Å; V23-T25 PolarHBondContact O-N 2.88Å; V23-A26 PolarHBondContact O-N 3.06Å; V23-A26 VanDerWaalsContact O-N 3.16Å; V23-L27 HydrophobicContact CG1-CD1 3.79Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CB 3.43Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.28Å; V23-L27 PolarHBondContact O-N 3.43Å
24S96Very high93.3Very high0 Ų038.3 Ų38.30%021%0.208CC..Hα-helixtrans-56-42.7175.6173.70000111.7G20 A26 W30 A164 G168G20-S24 VanDerWaalsContact O-CB 3.31Å; G20-S24 WeakPolarHBondContact O-CB 3.35Å; G20-S24 PolarHBondContact O-N 3.27Å; S24-A26 PolarHBondContact O-N 3.05Å; S24-W30 PolarHBondContact O-NE1 3.5Å; S24-A164 PolarHBondContact OG-O 3.4Å; S24-G168 WeakPolarHBondContact OG-CA 3.31Å; S24-G168 PolarHBondContact OG-N 3.15Å
25T94.8Very high91.8Very high10 Ų1043.4 Ų43.46%0.06123%0.228CC..Hα-helixtrans-66.5-36.4178.7-57.20000112.9A21 I22 V23 L50 W51 M84 I88A21-T25 WeakPolarHBondContact O-CB 3.28Å; A21-T25 PolarHBondContact O-N 3.26Å; A21-T25 PolarHBondContact O-OG1 3.44Å; I22-T25 WeakPolarHBondContact O-CB 3.45Å; I22-T25 PolarHBondContact O-N 2.94Å; V23-T25 VanDerWaalsContact C-N 3.28Å; V23-T25 PolarHBondContact O-N 2.88Å; T25-L50 HydrophobicContact CG2-CD2 4.17Å; T25-W51 HydrophobicContact CG2-CZ2 4.32Å; T25-W51 PolarHBondContact O-NE1 3.25Å; T25-M84 HydrophobicContact CG2-CB 4.39Å; T25-M84 WeakPolarHBondContact OG1-CE 3.3Å; T25-I88 HydrophobicContact CG2-CD1 4.21Å
26A93.7Very high89.9Confident63 Ų6344.5 Ų44.552%0.52125%0.252SS..Hα-helixtrans-80.5-29.1-178.600000113.2I22 V23 S24I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.19Å; V23-A26 PolarHBondContact O-N 3.06Å; V23-A26 VanDerWaalsContact O-N 3.16Å; S24-A26 PolarHBondContact O-N 3.05Å
27L93.1Very high87.8Confident52 Ų5241.5 Ų41.527%0.27224%0.242SC..  trans-65.9134.2-176.8-80.5171.3000112.2V23 Q29 A164V23-L27 HydrophobicContact CG1-CD1 3.79Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CB 3.43Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.28Å; V23-L27 PolarHBondContact O-N 3.43Å; L27-Q29 PolarHBondContact O-N 3.3Å; L27-Q29 VanDerWaalsContact O-N 3.15Å; L27-A164 HydrophobicContact CB-CB 3.85Å; L27-A164 HydrophobicContact CD1-CB 4.49Å
28P91.1Very high85.5Confident32 Ų3248.9 Ų48.921%0.20828%0.282CS..SBendtrans-82.717.7179.534.8-36.3000113.7Y47 E48 G49 M52P28-Y47 CarbonylContact O-C 3.56Å; P28-E48 CarbonylContact O-C 3.52Å; P28-E48 PolarHBondContact O-N 2.92Å; P28-G49 VanDerWaalsContact C-CA 3.44Å; P28-G49 VanDerWaalsContact CA-CA 3.48Å; P28-G49 WeakPolarHBondContact O-CA 3.49Å; P28-G49 PolarHBondContact O-N 2.83Å; P28-M52 HydrophobicContact CB-CG 3.78Å; P28-M52 HydrophobicContact CB-SD 4.27Å
29Q91.6Very high83.1Confident48 Ų4853 Ų5322%0.22431%0.308CS..  trans-119.353.7-170.7-64.4-179.5-40.600111.2L27 Y47 G162 Q163 A164L27-Q29 PolarHBondContact O-N 3.3Å; L27-Q29 VanDerWaalsContact O-N 3.15Å; Q29-Y47 HydrophobicContact CG-CD1 4.11Å; Q29-Y47 HydrophobicContact CG-CG 4.49Å; Q29-G162 CarbonylContact O-C 3.57Å; Q29-G162 WeakPolarHBondContact O-CA 3.22Å; Q29-Q163 PolarHBondContact O-N 3.49Å; Q29-Q163 VanDerWaalsContact O-N 3.17Å; Q29-A164 WeakPolarHBondContact O-CB 3.15Å; Q29-A164 PolarHBondContact O-N 3.09Å
30W93.5Very high80.8Confident0 Ų057 Ų570%033%0.328CS..SBendtrans-80.9-39.3172.3-8165.1000111S24 E48 L50 T80 M84 T137 Y140 G162 A164 L165S24-W30 PolarHBondContact O-NE1 3.5Å; W30-E48 WeakPolarHBondContact CA-O 3.29Å; W30-E48 WeakPolarHBondContact CB-O 3.26Å; W30-E48 PolarHBondContact N-O 2.96Å; W30-L50 HydrophobicContact CD2-CD1 4.32Å; W30-L50 HydrophobicContact CE3-CD1 4.43Å; W30-L50 HydrophobicContact CZ2-CD1 4.48Å; W30-L50 HydrophobicContact CZ2-CD2 4.33Å; W30-T80 HydrophobicContact CE3-CG2 4.41Å; W30-T80 HydrophobicContact CH2-CG2 3.83Å; W30-T80 HydrophobicContact CZ3-CG2 3.59Å; W30-M84 HydrophobicContact CH2-CE 4.11Å; W30-M84 HydrophobicContact CH2-CG 3.98Å; W30-M84 HydrophobicContact CH2-SD 3.89Å; W30-M84 HydrophobicContact CZ2-CE 3.98Å; W30-M84 HydrophobicContact CZ2-CG 4.26Å; W30-M84 HydrophobicContact CZ2-SD 4.32Å; W30-T137 HydrophobicContact CH2-CG2 3.7Å; W30-T137 HydrophobicContact CZ3-CG2 4.03Å; W30-Y140 HydrophobicContact CB-CE1 3.92Å; W30-Y140 AromaticContact CE3-CD1 3.63Å; W30-Y140 HydrophobicContact CE3-CD1 3.63Å; W30-Y140 HydrophobicContact CE3-CE1 4.01Å; W30-Y140 AromaticContact CE3-CG 3.98Å; W30-Y140 HydrophobicContact CE3-CG 3.98Å; W30-Y140 HydrophobicContact CZ3-CD1 4.28Å; W30-Y140 HydrophobicContact CZ3-CG 4.25Å; W30-G162 PolarHBondContact O-N 2.89Å; W30-A164 HydrophobicContact CD2-CB 4.43Å; W30-A164 HydrophobicContact CG-CB 3.93Å; W30-L165 HydrophobicContact CE3-CD1 4.4Å; W30-L165 HydrophobicContact CE3-CG 4.11Å; W30-L165 HydrophobicContact CZ3-CG 4.49Å; W30-L165 WeakPolarHBondContact O-CD1 3.07Å
31R90.1Very high78.7Confident29 Ų2962.7 Ų62.711%0.10936%0.359CS..EExtended strand (participates in β ladder)trans-135.1145.7170.262179.7-178.8165.59.7110.4E48 R143 I144 Y159 E160R31-E48 HydrophobicContact CG-CB 3.7Å; R31-E48 HydrophobicContact CG-CG 4.45Å; R31-E48 IonicContact CZ-OE1 2.78Å; R31-E48 IonicContact CZ-OE2 2.61Å; R31-E48 PolarHBondContact N-O 3.18Å; R31-E48 VanDerWaalsContact NE-CD 3.31Å; R31-E48 IonicContact NE-OE1 3.45Å; R31-E48 IonicContact NE-OE2 3.76Å; R31-E48 PolarHBondContact NE-OE2 3.43Å; R31-E48 IonicContact NH2-OE1 2.79Å; R31-E48 PolarHBondContact NH2-OE1 3.49Å; R31-E48 VanDerWaalsContact NH2-OE1 3.09Å; R31-E48 IonicContact NH2-OE2 3.05Å; R31-E48 PolarHBondContact NH2-OE2 2.91Å; R31-E48 PolarHBondContact O-N 3.02Å; R31-R143 VanDerWaalsContact NH1-CZ 3.34Å; R31-R143 VanDerWaalsContact NH1-NH1 3.17Å; R31-I144 HydrophobicContact CB-CD1 3.92Å; R31-I144 HydrophobicContact CB-CG1 4.43Å; R31-Y159 HydrophobicContact CB-CD1 3.97Å; R31-Y159 HydrophobicContact CB-CG 4.39Å; R31-Y159 HydrophobicContact CG-CD1 3.68Å; R31-Y159 HydrophobicContact CG-CE1 4.12Å; R31-Y159 HydrophobicContact CG-CG 4.25Å; R31-E160 WeakPolarHBondContact CA-O 3.37Å
32I89Confident76.8Confident39 Ų3967.2 Ų67.220%0.239%0.386CS..EExtended strand (participates in β ladder)trans-123141.1-176.2-51.4-177.4000108Y47 Y159 E160I32-Y47 HydrophobicContact CB-CD1 4.37Å; I32-Y47 HydrophobicContact CD1-CD1 4.16Å; I32-Y47 HydrophobicContact CD1-CE1 4.18Å; I32-Y47 HydrophobicContact CG1-CD1 3.91Å; I32-Y47 HydrophobicContact CG1-CE1 4.29Å; I32-Y47 HydrophobicContact CG2-CD1 3.87Å; I32-Y47 HydrophobicContact CG2-CE1 3.67Å; I32-Y159 CarbonylContact O-C 3.51Å; I32-Y159 VanDerWaalsContact O-CA 3.29Å; I32-Y159 WeakPolarHBondContact O-CA 3.28Å; I32-E160 PolarHBondContact N-O 3.01Å; I32-E160 PolarHBondContact O-N 3.32Å
33Y84.1Confident74.9Confident61 Ų6167 Ų6724%0.23939%0.394CS..EExtended strand (participates in β ladder)trans-67.8130.6176.8-145.1-108.3000111.9M46 N156 A157 Y159Y33-M46 HydrophobicContact CD2-CB 4.36Å; Y33-M46 PolarHBondContact N-O 3.21Å; Y33-N156 WeakPolarHBondContact CE1-O 3.42Å; Y33-N156 PolarHBondContact OH-O 3.5Å; Y33-A157 WeakPolarHBondContact OH-CA 3.36Å; Y33-Y159 HydrophobicContact CD2-CD1 4.2Å; Y33-Y159 AromaticContact CD2-CE1 3.66Å; Y33-Y159 HydrophobicContact CD2-CE1 3.66Å; Y33-Y159 HydrophobicContact CD2-CE2 4.17Å; Y33-Y159 AromaticContact CD2-CZ 3.62Å; Y33-Y159 HydrophobicContact CE2-CE1 4.38Å; Y33-Y159 HydrophobicContact CE2-CE2 4.16Å; Y33-Y159 AromaticContact CE2-CZ 3.87Å
34S70.2Confident73.5Confident36 Ų3667.1 Ų67.125%0.25239%0.39SS..  trans-83.4-21.1-179-66.40000114R158 E160S34-R158 WeakPolarHBondContact CB-O 3.14Å; S34-R158 PolarHBondContact N-O 2.89Å; S34-E160 WeakPolarHBondContact CB-OE1 3.25Å; S34-E160 WeakPolarHBondContact OG-CG 3.37Å; S34-E160 PolarHBondContact OG-N 2.92Å; S34-E160 PolarHBondContact OG-OE1 3.46Å
35Y65Low72.6Confident108 Ų10869 Ų6942%0.42441%0.405SS..  trans-98.8113.6-165.8-164.3-106.9000112.9V155 N156Y35-V155 HydrophobicContact CD2-CG1 4.23Å; Y35-V155 HydrophobicContact CE2-CG1 4.17Å; Y35-N156 HydrophobicContact CD1-CB 3.7Å; Y35-N156 HydrophobicContact CE1-CB 3.75Å; Y35-N156 HydrophobicContact CG-CB 4.22Å
36A58Low72.1Confident102 Ų10271.3 Ų71.384%0.84342%0.416SS*.  trans-10283.1162.900000108.3
37G53.2Low71.8Confident28 Ų2871.3 Ų71.329%0.28940%0.403SS..  trans-84153.4-177.500000114.8N39G37-N39 PolarHBondContact O-N 3.43Å
38D48.8Very low71.7Confident155 Ų15570.3 Ų70.383%0.82940%0.397SS*.SBendtrans-55.7-0.9-177.7-72.1-39000117.1I40D38-I40 PolarHBondContact O-N 3.5Å; D38-I40 VanDerWaalsContact O-N 3.15Å
39N48Very low71.7Confident134 Ų13468.8 Ų68.872%0.71739%0.387SS*.  trans-87.481.8172.8-73.8-28.5000110.1G37 V41 T42G37-N39 PolarHBondContact O-N 3.43Å; N39-V41 PolarHBondContact O-N 3.35Å; N39-T42 PolarHBondContact O-N 2.82Å
40I49Very low71.6Confident152 Ų15266.5 Ų66.578%0.77938%0.376SS*.G310 helixtrans-51.4-18.3179.5-64.5166.5000113.5D38 T42D38-I40 PolarHBondContact O-N 3.5Å; D38-I40 VanDerWaalsContact O-N 3.15Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3Å
41V53.8Low71.5Confident138 Ų13871.4 Ų71.484%0.83640%0.395SS*.G310 helixtrans-72.8-21.2-177.8-172.70000113.1N39N39-V41 PolarHBondContact O-N 3.35Å
42T55.1Low71.5Confident94 Ų9473 Ų7358%0.57740%0.404SS*.G310 helixtrans-143.651.5176.761.50000113N39 I40 Q44N39-T42 PolarHBondContact O-N 2.82Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.31Å
43A57.6Low71.5Confident58 Ų5872.7 Ų72.748%0.47941%0.406SS..  trans-62.895.8166.500000109.1S58A43-S58 PolarHBondContact O-N 3.15Å
44Q68.2Low71.8Confident71 Ų7170 Ų7033%0.33240%0.396SS..EExtended strand (participates in β ladder)trans-119115.4-179.5-69.7-172.6-19.900108.7T42 M46 V55 S56 Q57T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.31Å; Q44-M46 HydrophobicContact CB-CE 4.48Å; Q44-M46 PolarHBondContact O-N 3.15Å; Q44-V55 HydrophobicContact CB-CG1 3.85Å; Q44-V55 HydrophobicContact CG-CG1 4.16Å; Q44-S56 CarbonylContact C-O 3.02Å; Q44-S56 WeakPolarHBondContact CA-O 3.33Å; Q44-Q57 HydrophobicContact CG-CG 4.33Å
45A76.8Confident72.6Confident38 Ų3869.8 Ų69.831%0.31439%0.393SS..EExtended strand (participates in β ladder)trans-85.1112.4171.300000108.5Y47 S56A45-Y47 HydrophobicContact CB-CE2 3.94Å; A45-S56 PolarHBondContact N-O 3.5Å; A45-S56 PolarHBondContact O-N 3.21Å
46M84Confident73.5Confident60 Ų6066.3 Ų66.330%0.29638%0.384SS..EExtended strand (participates in β ladder)trans-96.2130.6178.4-57.7-163.6174.500110.5Y33 Q44 V55Y33-M46 HydrophobicContact CD2-CB 4.36Å; Y33-M46 PolarHBondContact N-O 3.21Å; Q44-M46 HydrophobicContact CB-CE 4.48Å; Q44-M46 PolarHBondContact O-N 3.15Å; M46-V55 HydrophobicContact CE-CG1 4.48Å; M46-V55 HydrophobicContact CE-CG2 4.38Å; M46-V55 HydrophobicContact CG-CG1 4.28Å; M46-V55 HydrophobicContact CG-CG2 4.04Å; M46-V55 HydrophobicContact SD-CG2 4.42Å
47Y88.3Confident74.7Confident63 Ų6363.9 Ų63.925%0.24736%0.355CS..EExtended strand (participates in β ladder)trans-119.6125.7174.7-54.2-85.7000107.8P28 Q29 I32 A45 S53 C54P28-Y47 CarbonylContact O-C 3.56Å; Q29-Y47 HydrophobicContact CG-CD1 4.11Å; Q29-Y47 HydrophobicContact CG-CG 4.49Å; I32-Y47 HydrophobicContact CB-CD1 4.37Å; I32-Y47 HydrophobicContact CD1-CD1 4.16Å; I32-Y47 HydrophobicContact CD1-CE1 4.18Å; I32-Y47 HydrophobicContact CG1-CD1 3.91Å; I32-Y47 HydrophobicContact CG1-CE1 4.29Å; I32-Y47 HydrophobicContact CG2-CD1 3.87Å; I32-Y47 HydrophobicContact CG2-CE1 3.67Å; A45-Y47 HydrophobicContact CB-CE2 3.94Å; Y47-S53 CarbonylContact O-C 3.57Å; Y47-S53 WeakPolarHBondContact O-CA 3.45Å; Y47-C54 PolarHBondContact N-O 3.4Å; Y47-C54 PolarHBondContact O-N 3.21Å; Y47-C54 VanDerWaalsContact O-O 3.14Å
48E89.8Confident75.8Confident30 Ų3066.8 Ų66.814%0.1437%0.372CS..EExtended strand (participates in β ladder)trans-114.1127.7174.5-64.4-168.3-166.800111.4P28 W30 R31 Y159P28-E48 CarbonylContact O-C 3.52Å; P28-E48 PolarHBondContact O-N 2.92Å; W30-E48 WeakPolarHBondContact CA-O 3.29Å; W30-E48 WeakPolarHBondContact CB-O 3.26Å; W30-E48 PolarHBondContact N-O 2.96Å; R31-E48 HydrophobicContact CG-CB 3.7Å; R31-E48 HydrophobicContact CG-CG 4.45Å; R31-E48 IonicContact CZ-OE1 2.78Å; R31-E48 IonicContact CZ-OE2 2.61Å; R31-E48 PolarHBondContact N-O 3.18Å; R31-E48 VanDerWaalsContact NE-CD 3.31Å; R31-E48 IonicContact NE-OE1 3.45Å; R31-E48 IonicContact NE-OE2 3.76Å; R31-E48 PolarHBondContact NE-OE2 3.43Å; R31-E48 IonicContact NH2-OE1 2.79Å; R31-E48 PolarHBondContact NH2-OE1 3.49Å; R31-E48 VanDerWaalsContact NH2-OE1 3.09Å; R31-E48 IonicContact NH2-OE2 3.05Å; R31-E48 PolarHBondContact NH2-OE2 2.91Å; R31-E48 PolarHBondContact O-N 3.02Å; E48-Y159 HydrophobicContact CG-CE1 4.41Å; E48-Y159 PolarHBondContact OE1-OH 3.24Å
49G91.6Very high77.1Confident0 Ų064.1 Ų64.10%036%0.361CS..  trans-99.3-17717500000112.8P28 M52P28-G49 VanDerWaalsContact C-CA 3.44Å; P28-G49 VanDerWaalsContact CA-CA 3.48Å; P28-G49 WeakPolarHBondContact O-CA 3.49Å; P28-G49 PolarHBondContact O-N 2.83Å; G49-M52 VanDerWaalsContact CA-O 3.29Å; G49-M52 WeakPolarHBondContact CA-O 3.49Å; G49-M52 PolarHBondContact N-O 2.99Å
50L89.8Confident78.5Confident0 Ų060.8 Ų60.80%036%0.358CS..SBendtrans-72.4-35.6171.8-148.869.3000111.5T25 W30 L77 T80 R81 M84T25-L50 HydrophobicContact CG2-CD2 4.17Å; W30-L50 HydrophobicContact CD2-CD1 4.32Å; W30-L50 HydrophobicContact CE3-CD1 4.43Å; W30-L50 HydrophobicContact CZ2-CD1 4.48Å; W30-L50 HydrophobicContact CZ2-CD2 4.33Å; L50-L77 HydrophobicContact CD1-CD2 4.23Å; L50-L77 HydrophobicContact CD1-CG 4.42Å; L50-T80 HydrophobicContact CD1-CG2 3.7Å; L50-R81 HydrophobicContact CD1-CG 4.13Å; L50-R81 HydrophobicContact CD2-CB 4.33Å; L50-R81 HydrophobicContact CD2-CG 3.75Å; L50-R81 HydrophobicContact CG-CG 3.51Å; L50-R81 PolarHBondContact O-NE 3.34Å; L50-R81 PolarHBondContact O-NH2 3.38Å; L50-M84 HydrophobicContact CD2-CB 4.28Å; L50-M84 HydrophobicContact CD2-CG 4.13Å
51W90.9Very high80.1Confident104 Ų10458.8 Ų58.839%0.39435%0.346SS..SBendtrans-113.3-20-173.4-55.897.4000115.3T25 F67 R81 V85T25-W51 HydrophobicContact CG2-CZ2 4.32Å; T25-W51 PolarHBondContact O-NE1 3.25Å; W51-F67 VanDerWaalsContact C-CD2 3.44Å; W51-F67 VanDerWaalsContact O-CD2 3.28Å; W51-F67 WeakPolarHBondContact O-CD2 3.31Å; W51-F67 PolarHBondContact O-N 3.36Å; W51-R81 HydrophobicContact CH2-CG 4.36Å; W51-R81 HydrophobicContact CZ2-CG 4.43Å; W51-V85 HydrophobicContact CH2-CG2 4.11Å; W51-V85 HydrophobicContact CZ2-CG2 3.94Å
52M90.1Very high81.6Confident61 Ų6158 Ų5830%0.334%0.335SS..EExtended strand (participates in β ladder)trans-148.1156.3-177.565.7-174.474.600109.8P28 G49 C64 K65 V66P28-M52 HydrophobicContact CB-CG 3.78Å; P28-M52 HydrophobicContact CB-SD 4.27Å; G49-M52 VanDerWaalsContact CA-O 3.29Å; G49-M52 WeakPolarHBondContact CA-O 3.49Å; G49-M52 PolarHBondContact N-O 2.99Å; M52-C64 HydrophobicContact SD-CB 4.29Å; M52-K65 VanDerWaalsContact CA-O 3.31Å; M52-K65 WeakPolarHBondContact CA-O 3.36Å; M52-K65 WeakPolarHBondContact CB-O 3.44Å; M52-V66 HydrophobicContact CB-CG2 4.37Å
53S89.6Confident83.1Confident34 Ų3458.6 Ų58.624%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-109.7142.7166.656.70000109.3Y47 C64 K65Y47-S53 CarbonylContact O-C 3.57Å; Y47-S53 WeakPolarHBondContact O-CA 3.45Å; S53-C64 CarbonylContact O-C 3.12Å; S53-C64 VanDerWaalsContact O-CA 3.31Å; S53-C64 WeakPolarHBondContact O-CA 3.42Å; S53-K65 PolarHBondContact N-O 3.22Å; S53-K65 PolarHBondContact O-N 2.92Å
54C89.7Confident84.7Confident5 Ų559.3 Ų59.33%0.03433%0.332CS..EExtended strand (participates in β ladder)trans-123.7136.9178.4-62.90000109.6Y47 Q63 C64Y47-C54 PolarHBondContact N-O 3.4Å; Y47-C54 PolarHBondContact O-N 3.21Å; Y47-C54 VanDerWaalsContact O-O 3.14Å; C54-Q63 CarbonylContact C-O 3.6Å; C54-Q63 WeakPolarHBondContact CA-O 3.42Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.47Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.24Å
55V87.9Confident85.7Confident31 Ų3161.9 Ų61.919%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-120.3125.5175.9-176.60000108.3Q44 M46 Q57 I62 Q63Q44-V55 HydrophobicContact CB-CG1 3.85Å; Q44-V55 HydrophobicContact CG-CG1 4.16Å; M46-V55 HydrophobicContact CE-CG1 4.48Å; M46-V55 HydrophobicContact CE-CG2 4.38Å; M46-V55 HydrophobicContact CG-CG1 4.28Å; M46-V55 HydrophobicContact CG-CG2 4.04Å; M46-V55 HydrophobicContact SD-CG2 4.42Å; V55-Q57 HydrophobicContact CG1-CG 4.4Å; V55-I62 WeakPolarHBondContact O-CA 3.49Å; V55-Q63 PolarHBondContact N-O 2.9Å; V55-Q63 PolarHBondContact O-N 2.9Å
56S84.4Confident86.2Confident34 Ų3464.5 Ų64.524%0.23835%0.354CS..EExtended strand (participates in β ladder)trans-99.3119.6171.4-172.40000109Q44 A45Q44-S56 CarbonylContact C-O 3.02Å; Q44-S56 WeakPolarHBondContact CA-O 3.33Å; A45-S56 PolarHBondContact N-O 3.5Å; A45-S56 PolarHBondContact O-N 3.21Å
57Q81.9Confident86.2Confident51 Ų5163.8 Ų63.824%0.23835%0.35CS..EExtended strand (participates in β ladder)trans-96.7154179.9-57-1743700110.8Q44 V55 T59 G60 Q61Q44-Q57 HydrophobicContact CG-CG 4.33Å; V55-Q57 HydrophobicContact CG1-CG 4.4Å; Q57-T59 PolarHBondContact O-N 2.95Å; Q57-G60 PolarHBondContact O-N 2.93Å; Q57-Q61 PolarHBondContact N-O 3.43Å
58S76Confident85.3Confident90 Ų9066.7 Ų66.763%0.62937%0.369SS*.THydrogen-bonded Turntrans-57.2-19.2176.155.70000114.5A43 G60A43-S58 PolarHBondContact O-N 3.15Å; S58-G60 PolarHBondContact O-N 3.45Å
59T77.6Confident84.3Confident98 Ų9868.8 Ų68.860%0.60139%0.387SS*.THydrogen-bonded Turntrans-72.2-0.417254.50000113.7Q57 Q61Q57-T59 PolarHBondContact O-N 2.95Å; T59-Q61 PolarHBondContact O-N 3.14Å
60G76.9Confident82.9Confident64 Ų6474 Ų7466%0.6641%0.414SS*.SBendtrans79.82.8-17800000114Q57 S58Q57-G60 PolarHBondContact O-N 2.93Å; S58-G60 PolarHBondContact O-N 3.45Å
61Q82.2Confident81.4Confident111 Ų11182.5 Ų82.552%0.51946%0.459SS..  trans-84.3129.6177-65.1-173.1-19.800110.9Q57 T59Q57-Q61 PolarHBondContact N-O 3.43Å; T59-Q61 PolarHBondContact O-N 3.14Å
62I85.4Confident79.9Confident121 Ų12184.8 Ų84.862%0.62148%0.479SS*.EExtended strand (participates in β ladder)trans-104.1121169.8-60.9175000108V55V55-I62 WeakPolarHBondContact O-CA 3.49Å
63Q87.4Confident79.1Confident107 Ų10783.3 Ų83.350%0.547%0.472SS..EExtended strand (participates in β ladder)trans-115.7118.5176.6-65.2-177.3-4.100109.1C54 V55C54-Q63 CarbonylContact C-O 3.6Å; C54-Q63 WeakPolarHBondContact CA-O 3.42Å; V55-Q63 PolarHBondContact N-O 2.9Å; V55-Q63 PolarHBondContact O-N 2.9Å
64C90.1Very high78.6Confident72 Ų7284.4 Ų84.449%0.48648%0.48SS..EExtended strand (participates in β ladder)trans-107.2131.2175-64.60000110.1M52 S53 C54M52-C64 HydrophobicContact SD-CB 4.29Å; S53-C64 CarbonylContact O-C 3.12Å; S53-C64 VanDerWaalsContact O-CA 3.31Å; S53-C64 WeakPolarHBondContact O-CA 3.42Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.47Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.24Å
65K88.5Confident78.3Confident126 Ų12688.8 Ų88.855%0.54851%0.51SS..EExtended strand (participates in β ladder)trans-121.7128.3177.4-168.1179.6178-170.40110M52 S53 D68M52-K65 VanDerWaalsContact CA-O 3.31Å; M52-K65 WeakPolarHBondContact CA-O 3.36Å; M52-K65 WeakPolarHBondContact CB-O 3.44Å; S53-K65 PolarHBondContact N-O 3.22Å; S53-K65 PolarHBondContact O-N 2.92Å; K65-D68 WeakPolarHBondContact CE-OD2 3.16Å; K65-D68 IonicContact NZ-OD2 2.56Å; K65-D68 PolarHBondContact NZ-OD2 3.47Å
66V88.4Confident78.3Confident92 Ų9288.5 Ų88.556%0.55851%0.509SS*.EExtended strand (participates in β ladder)trans-73.6145.1172.6-178.50000109M52 D68M52-V66 HydrophobicContact CB-CG2 4.37Å; V66-D68 PolarHBondContact O-N 3Å; V66-D68 VanDerWaalsContact O-N 3.1Å
67F83.7Confident78.4Confident46 Ų4687 Ų8720%0.20250%0.498CS..  trans-68.4109.1177-64.4-73.6000110.7W51 S69 L73W51-F67 VanDerWaalsContact C-CD2 3.44Å; W51-F67 VanDerWaalsContact O-CD2 3.28Å; W51-F67 WeakPolarHBondContact O-CD2 3.31Å; W51-F67 PolarHBondContact O-N 3.36Å; F67-S69 PolarHBondContact O-N 3.22Å; F67-L73 HydrophobicContact CD1-CD1 3.75Å; F67-L73 HydrophobicContact CD2-CD2 4.44Å; F67-L73 HydrophobicContact CE1-CD1 3.87Å; F67-L73 HydrophobicContact CG-CD1 4.14Å; F67-L73 HydrophobicContact CG-CD2 4.36Å; F67-L73 HydrophobicContact CZ-CD1 4.35Å
68D69.2Low78.8Confident124 Ų12489.6 Ų89.666%0.66351%0.51SS*.SBendtrans-67.2-31.8-174.9-65.4-42.2000113.6K65 V66K65-D68 WeakPolarHBondContact CE-OD2 3.16Å; K65-D68 IonicContact NZ-OD2 2.56Å; K65-D68 PolarHBondContact NZ-OD2 3.47Å; V66-D68 PolarHBondContact O-N 3Å; V66-D68 VanDerWaalsContact O-N 3.1Å
69S69.7Low79.5Confident74 Ų7486.7 Ų86.752%0.51749%0.492SS..  trans-127.1113-174.8-66.10000111.8F67 L71 N72F67-S69 PolarHBondContact O-N 3.22Å; S69-L71 PolarHBondContact O-N 3.5Å; S69-N72 PolarHBondContact O-N 2.93Å
70L61.3Low80.3Confident108 Ų10882 Ų8257%0.56546%0.463SS*.G310 helixtrans-62.6-27.6173.2-65177000112.6
71L58.6Low81.1Confident179 Ų17979.8 Ų79.894%0.93744%0.435SS*.G310 helixtrans-75.8-19.5-176.3-135.188.5000114.2S69S69-L71 PolarHBondContact O-N 3.5Å
72N60.3Low81.6Confident152 Ų15277.1 Ų77.181%0.81343%0.432SS*.G310 helixtrans-100.910-178.5-162.322.2000112.4S69S69-N72 PolarHBondContact O-N 2.93Å
73L72.2Confident82.1Confident31 Ų3173.8 Ų73.816%0.16242%0.415CS..SBendtrans-99.2149.1-176-153.761.3000110.4F67 S75 L77 R81F67-L73 HydrophobicContact CD1-CD1 3.75Å; F67-L73 HydrophobicContact CD2-CD2 4.44Å; F67-L73 HydrophobicContact CE1-CD1 3.87Å; F67-L73 HydrophobicContact CG-CD1 4.14Å; F67-L73 HydrophobicContact CG-CD2 4.36Å; F67-L73 HydrophobicContact CZ-CD1 4.35Å; L73-S75 PolarHBondContact O-N 3.43Å; L73-L77 HydrophobicContact CD1-CD1 4.06Å; L73-L77 HydrophobicContact CD2-CD1 4.09Å; L73-L77 HydrophobicContact CD2-CD2 3.43Å; L73-L77 VanDerWaalsContact CD2-CD2 3.43Å; L73-L77 HydrophobicContact CD2-CG 4.21Å; L73-L77 HydrophobicContact CG-CB 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.03Å; L73-L77 HydrophobicContact CG-CD2 4.1Å; L73-L77 HydrophobicContact CG-CG 4.38Å; L73-R81 VanDerWaalsContact CD2-NH1 3.3Å
74S79.7Confident82.5Confident56 Ų5668.7 Ų68.739%0.39239%0.391SS..  trans-60.6138.8-178.7660000111.2T76 L77 Q78S74-T76 PolarHBondContact O-N 2.91Å; S74-L77 PolarHBondContact O-N 2.92Å; S74-L77 WeakPolarHBondContact OG-CB 3.46Å; S74-L77 PolarHBondContact OG-N 3.47Å; S74-Q78 PolarHBondContact O-N 3.35Å; S74-Q78 VanDerWaalsContact O-N 3.13Å
75S83.6Confident82.8Confident97 Ų9767.9 Ų67.968%0.67838%0.384SS*.Hα-helixtrans-56-36.418053.20000112.2L73 L77 Q78 A79L73-S75 PolarHBondContact O-N 3.43Å; S75-L77 PolarHBondContact O-N 2.86Å; S75-Q78 PolarHBondContact O-N 3.32Å; S75-A79 WeakPolarHBondContact O-CB 3.12Å; S75-A79 PolarHBondContact O-N 2.98Å
76T87.1Confident83.2Confident26 Ų2665.5 Ų65.516%0.1638%0.38CS..Hα-helixtrans-59.4-45.4174.2-48.50000111.9S74 A79 T80 R143S74-T76 PolarHBondContact O-N 2.91Å; T76-A79 PolarHBondContact O-N 3.48Å; T76-T80 PolarHBondContact O-N 3.37Å; T76-T80 PolarHBondContact O-OG1 3.44Å; T76-R143 HydrophobicContact CG2-CB 4.43Å
77L87.6Confident83.6Confident3 Ų361.1 Ų61.12%0.01635%0.353CS..Hα-helixtrans-67.8-40.1-178.9-165165.4000110.9L50 L73 S74 S75 T80 R81 Y140L50-L77 HydrophobicContact CD1-CD2 4.23Å; L50-L77 HydrophobicContact CD1-CG 4.42Å; L73-L77 HydrophobicContact CD1-CD1 4.06Å; L73-L77 HydrophobicContact CD2-CD1 4.09Å; L73-L77 HydrophobicContact CD2-CD2 3.43Å; L73-L77 VanDerWaalsContact CD2-CD2 3.43Å; L73-L77 HydrophobicContact CD2-CG 4.21Å; L73-L77 HydrophobicContact CG-CB 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.03Å; L73-L77 HydrophobicContact CG-CD2 4.1Å; L73-L77 HydrophobicContact CG-CG 4.38Å; S74-L77 PolarHBondContact O-N 2.92Å; S74-L77 WeakPolarHBondContact OG-CB 3.46Å; S74-L77 PolarHBondContact OG-N 3.47Å; S75-L77 PolarHBondContact O-N 2.86Å; L77-T80 PolarHBondContact O-N 3.05Å; L77-R81 HydrophobicContact CD2-CG 4Å; L77-R81 WeakPolarHBondContact O-CG 3.33Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-Y140 HydrophobicContact CB-CE2 4.43Å; L77-Y140 HydrophobicContact CG-CE2 4.32Å
78Q90.1Very high84.2Confident105 Ų10560.3 Ų60.349%0.49135%0.351SS..Hα-helixtrans-63.8-41174.5-171.6174.6-4.300112.3S74 S75 R81 A82S74-Q78 PolarHBondContact O-N 3.35Å; S74-Q78 VanDerWaalsContact O-N 3.13Å; S75-Q78 PolarHBondContact O-N 3.32Å; Q78-R81 WeakPolarHBondContact O-CB 3.37Å; Q78-R81 PolarHBondContact O-N 2.97Å; Q78-A82 PolarHBondContact O-N 3.2Å
79A90.6Very high85.6Confident29 Ų2959.4 Ų59.424%0.2435%0.345CS..Hα-helixtrans-63.9-44.2174.600000111.7S75 T76 R81 A82 L83 W139S75-A79 WeakPolarHBondContact O-CB 3.12Å; S75-A79 PolarHBondContact O-N 2.98Å; T76-A79 PolarHBondContact O-N 3.48Å; A79-R81 PolarHBondContact O-N 3.47Å; A79-A82 PolarHBondContact O-N 3.3Å; A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 3.09Å; A79-W139 HydrophobicContact CB-CH2 4.26Å; A79-W139 HydrophobicContact CB-CZ3 3.91Å
80T93.3Very high86.9Confident0 Ų058.4 Ų58.40%033%0.334CS..Hα-helixtrans-59.8-43.5175-57.20000111.3W30 L50 T76 L77 A82 L83 M84 A136 Y140W30-T80 HydrophobicContact CE3-CG2 4.41Å; W30-T80 HydrophobicContact CH2-CG2 3.83Å; W30-T80 HydrophobicContact CZ3-CG2 3.59Å; L50-T80 HydrophobicContact CD1-CG2 3.7Å; T76-T80 PolarHBondContact O-N 3.37Å; T76-T80 PolarHBondContact O-OG1 3.44Å; L77-T80 PolarHBondContact O-N 3.05Å; T80-A82 PolarHBondContact O-N 3.16Å; T80-L83 PolarHBondContact O-N 3.01Å; T80-M84 HydrophobicContact CG2-CG 4.32Å; T80-M84 WeakPolarHBondContact O-CB 3.32Å; T80-M84 VanDerWaalsContact O-CG 3.24Å; T80-M84 WeakPolarHBondContact O-CG 3.48Å; T80-M84 PolarHBondContact O-N 3.43Å; T80-A136 HydrophobicContact CG2-CB 4.09Å; T80-Y140 HydrophobicContact CG2-CD2 4.34Å; T80-Y140 HydrophobicContact CG2-CG 4.46Å
81R93.6Very high88.6Confident16 Ų1653.3 Ų53.36%0.0631%0.307CS..Hα-helixtrans-55.1-52172.9-77.9174.8-180177.33.8112.2L50 W51 L73 L77 Q78 A79 L83 M84 V85L50-R81 HydrophobicContact CD1-CG 4.13Å; L50-R81 HydrophobicContact CD2-CB 4.33Å; L50-R81 HydrophobicContact CD2-CG 3.75Å; L50-R81 HydrophobicContact CG-CG 3.51Å; L50-R81 PolarHBondContact O-NE 3.34Å; L50-R81 PolarHBondContact O-NH2 3.38Å; W51-R81 HydrophobicContact CH2-CG 4.36Å; W51-R81 HydrophobicContact CZ2-CG 4.43Å; L73-R81 VanDerWaalsContact CD2-NH1 3.3Å; L77-R81 HydrophobicContact CD2-CG 4Å; L77-R81 WeakPolarHBondContact O-CG 3.33Å; L77-R81 PolarHBondContact O-N 3.3Å; Q78-R81 WeakPolarHBondContact O-CB 3.37Å; Q78-R81 PolarHBondContact O-N 2.97Å; A79-R81 PolarHBondContact O-N 3.47Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 3.3Å; R81-M84 PolarHBondContact O-N 3.46Å; R81-V85 WeakPolarHBondContact O-CB 3.28Å; R81-V85 VanDerWaalsContact O-CG2 3.28Å; R81-V85 WeakPolarHBondContact O-CG2 3.5Å; R81-V85 PolarHBondContact O-N 2.99Å
82A93.6Very high90.4Very high55 Ų5547.1 Ų47.146%0.45528%0.277SS..Hα-helixtrans-59.8-47-178.100000111.1Q78 A79 T80 V85 V86Q78-A82 PolarHBondContact O-N 3.2Å; A79-A82 PolarHBondContact O-N 3.3Å; T80-A82 PolarHBondContact O-N 3.16Å; A82-V85 PolarHBondContact O-N 3.17Å; A82-V86 WeakPolarHBondContact O-CB 3.23Å; A82-V86 VanDerWaalsContact O-CG2 3.23Å; A82-V86 WeakPolarHBondContact O-CG2 3.32Å; A82-V86 PolarHBondContact O-N 3.04Å
83L94.9Very high92.1Very high51 Ų5144.1 Ų44.127%0.26726%0.26SS..Hα-helixtrans-64.2-41.6179.3-70.6170.8000112.8A79 T80 R81 G87 V135 A136 W139A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 3.09Å; T80-L83 PolarHBondContact O-N 3.01Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 3.3Å; L83-G87 PolarHBondContact O-N 2.9Å; L83-V135 HydrophobicContact CD1-CG1 4.17Å; L83-A136 HydrophobicContact CB-CB 3.64Å; L83-A136 HydrophobicContact CD1-CB 4.15Å; L83-W139 HydrophobicContact CD1-CE3 4.45Å
84M96.3Very high93.2Very high0 Ų042.6 Ų42.60%025%0.252CS..Hα-helixtrans-63.5-45.7176.3-68.9-61.7-68.900111.4T25 W30 L50 T80 R81 G87 I88 I133 A136 T137T25-M84 HydrophobicContact CG2-CB 4.39Å; T25-M84 WeakPolarHBondContact OG1-CE 3.3Å; W30-M84 HydrophobicContact CH2-CE 4.11Å; W30-M84 HydrophobicContact CH2-CG 3.98Å; W30-M84 HydrophobicContact CH2-SD 3.89Å; W30-M84 HydrophobicContact CZ2-CE 3.98Å; W30-M84 HydrophobicContact CZ2-CG 4.26Å; W30-M84 HydrophobicContact CZ2-SD 4.32Å; L50-M84 HydrophobicContact CD2-CB 4.28Å; L50-M84 HydrophobicContact CD2-CG 4.13Å; T80-M84 HydrophobicContact CG2-CG 4.32Å; T80-M84 WeakPolarHBondContact O-CB 3.32Å; T80-M84 VanDerWaalsContact O-CG 3.24Å; T80-M84 WeakPolarHBondContact O-CG 3.48Å; T80-M84 PolarHBondContact O-N 3.43Å; R81-M84 PolarHBondContact O-N 3.46Å; M84-G87 PolarHBondContact O-N 3.24Å; M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 3.45Å; M84-I133 HydrophobicContact CE-CG2 4.03Å; M84-I133 HydrophobicContact SD-CB 4.35Å; M84-I133 HydrophobicContact SD-CG1 4.39Å; M84-I133 HydrophobicContact SD-CG2 3.88Å; M84-A136 HydrophobicContact CG-CB 3.99Å; M84-A136 HydrophobicContact SD-CB 3.79Å; M84-T137 HydrophobicContact SD-CG2 4.18Å
85V96.4Very high94Very high56 Ų5641.1 Ų41.134%0.33924%0.239SC..Hα-helixtrans-64-45.8178.51730000111.1W51 R81 A82 G87 I88 L89W51-V85 HydrophobicContact CH2-CG2 4.11Å; W51-V85 HydrophobicContact CZ2-CG2 3.94Å; R81-V85 WeakPolarHBondContact O-CB 3.28Å; R81-V85 VanDerWaalsContact O-CG2 3.28Å; R81-V85 WeakPolarHBondContact O-CG2 3.5Å; R81-V85 PolarHBondContact O-N 2.99Å; A82-V85 PolarHBondContact O-N 3.17Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.79Å; V85-I88 PolarHBondContact O-N 2.71Å; V85-L89 HydrophobicContact CG1-CD1 4.16Å; V85-L89 HydrophobicContact CG1-CG 4.46Å; V85-L89 WeakPolarHBondContact O-CG 3.31Å; V85-L89 PolarHBondContact O-N 3.06Å
86V96.8Very high94.5Very high76 Ų7643.1 Ų43.146%0.46124%0.236SC..Hα-helixtrans-60.4-44176169.80000110.7A82 I88 L89 L90A82-V86 WeakPolarHBondContact O-CB 3.23Å; A82-V86 VanDerWaalsContact O-CG2 3.23Å; A82-V86 WeakPolarHBondContact O-CG2 3.32Å; A82-V86 PolarHBondContact O-N 3.04Å; V86-I88 PolarHBondContact O-N 3.19Å; V86-L89 PolarHBondContact O-N 2.95Å; V86-L90 HydrophobicContact CG1-CD1 3.99Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 WeakPolarHBondContact O-CG 3.06Å; V86-L90 PolarHBondContact O-N 2.88Å
87G96.6Very high94.7Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-59-43.2175.400000112.9L83 M84 V85 G91 A129L83-G87 PolarHBondContact O-N 2.9Å; M84-G87 PolarHBondContact O-N 3.24Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.79Å; G87-G91 PolarHBondContact O-N 3.17Å; G87-A129 WeakPolarHBondContact O-CB 3.32Å
88I97.3Very high94.9Very high29 Ų2943.7 Ų43.715%0.14924%0.24CC..Hα-helixtrans-64.2-45176.8-69.6166000111.2W18 A21 I22 T25 M84 V85 V86 G91 V92W18-I88 PolarHBondContact NE1-O 2.96Å; A21-I88 HydrophobicContact CB-CG1 4.48Å; I22-I88 HydrophobicContact CG1-CD1 4.14Å; I22-I88 HydrophobicContact CG1-CG1 4.22Å; I22-I88 HydrophobicContact CG1-CG2 4.08Å; T25-I88 HydrophobicContact CG2-CD1 4.21Å; M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 3.45Å; V85-I88 PolarHBondContact O-N 2.71Å; V86-I88 PolarHBondContact O-N 3.19Å; I88-G91 PolarHBondContact O-N 2.9Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.45Å
89L97.8Very high94.8Very high104 Ų10440.2 Ų40.255%0.54523%0.226SC..Hα-helixtrans-63.7-43.9178.6-69.5176.1000111.8V85 V86 G91 V92 I93V85-L89 HydrophobicContact CG1-CD1 4.16Å; V85-L89 HydrophobicContact CG1-CG 4.46Å; V85-L89 WeakPolarHBondContact O-CG 3.31Å; V85-L89 PolarHBondContact O-N 3.06Å; V86-L89 PolarHBondContact O-N 2.95Å; L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 2.72Å; L89-V92 PolarHBondContact O-N 2.95Å; L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 3.27Å; L89-I93 VanDerWaalsContact O-N 3.12Å
90L97.1Very high94.7Very high53 Ų5341.5 Ų41.528%0.27723%0.231SC..Hα-helixtrans-60.2-40.3172.7-71.8176000111.2V86 V92 I93 A94 I125 A129V86-L90 HydrophobicContact CG1-CD1 3.99Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 WeakPolarHBondContact O-CG 3.06Å; V86-L90 PolarHBondContact O-N 2.88Å; L90-V92 PolarHBondContact O-N 3.33Å; L90-I93 PolarHBondContact O-N 3.01Å; L90-A94 WeakPolarHBondContact O-CB 3.09Å; L90-A94 PolarHBondContact O-N 3.31Å; L90-I125 HydrophobicContact CB-CG2 4.18Å; L90-I125 HydrophobicContact CD2-CG2 4.33Å; L90-I125 VanDerWaalsContact O-CG2 3.25Å; L90-I125 WeakPolarHBondContact O-CG2 3.39Å; L90-A129 HydrophobicContact CB-CB 3.87Å
91G96.5Very high94.1Very high1 Ų141.6 Ų41.61%0.0123%0.231CC..Hα-helixtrans-61.5-40.7175.100000113.3G87 I88 L89 A94 I95G87-G91 PolarHBondContact O-N 3.17Å; I88-G91 PolarHBondContact O-N 2.9Å; L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 2.72Å; G91-A94 WeakPolarHBondContact O-CB 3.49Å; G91-A94 PolarHBondContact O-N 3.19Å; G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.42Å; G91-I95 PolarHBondContact O-N 3.47Å
92V97.1Very high93.6Very high49 Ų4941.7 Ų41.730%0.29723%0.232SC..Hα-helixtrans-59.6-49.1173.9173.30000110.8W18 I88 L89 L90 A94 I95 F96W18-V92 HydrophobicContact CH2-CG2 4.39Å; W18-V92 HydrophobicContact CZ2-CG2 3.37Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.45Å; L89-V92 PolarHBondContact O-N 2.95Å; L90-V92 PolarHBondContact O-N 3.33Å; V92-A94 VanDerWaalsContact C-N 3.29Å; V92-A94 PolarHBondContact O-N 2.89Å; V92-I95 PolarHBondContact O-N 2.87Å; V92-F96 HydrophobicContact CG1-CD2 3.87Å; V92-F96 HydrophobicContact CG1-CE2 3.52Å; V92-F96 WeakPolarHBondContact O-CD2 3.42Å; V92-F96 PolarHBondContact O-N 3.45Å
93I96.7Very high92.4Very high89 Ų8943.4 Ų43.446%0.45623%0.23SC..Hα-helixtrans-60.1-43177.7-62.6167.3000110.1L89 L90 I95 F96 V97 I125L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 3.27Å; L89-I93 VanDerWaalsContact O-N 3.12Å; L90-I93 PolarHBondContact O-N 3.01Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 PolarHBondContact O-N 3.45Å; I93-F96 PolarHBondContact O-N 3.32Å; I93-V97 HydrophobicContact CG2-CG2 4.27Å; I93-V97 WeakPolarHBondContact O-CG2 3.09Å; I93-V97 PolarHBondContact O-N 3.16Å; I93-I125 HydrophobicContact CG2-CD1 4.23Å
94A95.6Very high91.1Very high0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-60.9-40.1177.900000112.4L90 G91 V92 V97 A98 I125 F126L90-A94 WeakPolarHBondContact O-CB 3.09Å; L90-A94 PolarHBondContact O-N 3.31Å; G91-A94 WeakPolarHBondContact O-CB 3.49Å; G91-A94 PolarHBondContact O-N 3.19Å; V92-A94 VanDerWaalsContact C-N 3.29Å; V92-A94 PolarHBondContact O-N 2.89Å; A94-V97 PolarHBondContact O-N 3.48Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 3.33Å; A94-I125 HydrophobicContact CB-CB 3.85Å; A94-I125 HydrophobicContact CB-CG2 3.72Å; A94-F126 HydrophobicContact CB-CB 4.39Å; A94-F126 HydrophobicContact CB-CD1 3.84Å; A94-F126 HydrophobicContact CB-CD2 3.52Å; A94-F126 HydrophobicContact CB-CE1 3.97Å; A94-F126 HydrophobicContact CB-CE2 3.65Å; A94-F126 HydrophobicContact CB-CG 3.62Å; A94-F126 HydrophobicContact CB-CZ 3.89Å
95I95.4Very high89.9Confident25 Ų2549.6 Ų49.613%0.12827%0.27CS..Hα-helixtrans-61-48.8176-68.5163.1000110.4F11 F15 W18 G91 V92 I93 V97 A98 T99 F126F11-I95 HydrophobicContact CE2-CG2 4.39Å; F11-I95 HydrophobicContact CZ-CG2 4.3Å; F15-I95 HydrophobicContact CD2-CD1 3.78Å; F15-I95 HydrophobicContact CD2-CG1 4.22Å; F15-I95 HydrophobicContact CE2-CD1 4.07Å; W18-I95 HydrophobicContact CB-CD1 4.5Å; W18-I95 HydrophobicContact CD2-CD1 3.58Å; W18-I95 HydrophobicContact CE3-CD1 3.63Å; W18-I95 HydrophobicContact CG-CD1 3.98Å; W18-I95 HydrophobicContact CH2-CD1 4.5Å; W18-I95 HydrophobicContact CZ2-CD1 4.46Å; W18-I95 HydrophobicContact CZ3-CD1 4.11Å; G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.42Å; G91-I95 PolarHBondContact O-N 3.47Å; V92-I95 PolarHBondContact O-N 2.87Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 PolarHBondContact O-N 3.45Å; I95-V97 PolarHBondContact O-N 2.93Å; I95-A98 PolarHBondContact O-N 3.18Å; I95-T99 HydrophobicContact CG2-CG2 4.28Å; I95-T99 WeakPolarHBondContact O-CB 3.29Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 2.86Å; I95-T99 PolarHBondContact O-OG1 2.97Å; I95-F126 HydrophobicContact CG1-CE1 4.2Å; I95-F126 HydrophobicContact CG1-CE2 4.5Å; I95-F126 HydrophobicContact CG1-CZ 3.55Å
96F93.8Very high88.3Confident138 Ų13855.2 Ų55.261%0.60529%0.29SS*.Hα-helixtrans-61.9-44.8178.4-74.6-66.7000112.1V92 I93 T99 V100V92-F96 HydrophobicContact CG1-CD2 3.87Å; V92-F96 HydrophobicContact CG1-CE2 3.52Å; V92-F96 WeakPolarHBondContact O-CD2 3.42Å; V92-F96 PolarHBondContact O-N 3.45Å; I93-F96 PolarHBondContact O-N 3.32Å; F96-T99 WeakPolarHBondContact CA-OG1 3.4Å; F96-T99 PolarHBondContact O-OG1 2.05Å; F96-V100 WeakPolarHBondContact O-CG2 3.43Å; F96-V100 PolarHBondContact O-N 2.93Å
97V92.4Very high86.5Confident40 Ų4056.3 Ų56.324%0.24230%0.3CS..Hα-helixtrans-68-43.5179.71760000111.5I93 A94 I95 G101 M118 I121 I125I93-V97 HydrophobicContact CG2-CG2 4.27Å; I93-V97 WeakPolarHBondContact O-CG2 3.09Å; I93-V97 PolarHBondContact O-N 3.16Å; A94-V97 PolarHBondContact O-N 3.48Å; I95-V97 PolarHBondContact O-N 2.93Å; V97-G101 PolarHBondContact O-N 3.15Å; V97-M118 WeakPolarHBondContact CG1-O 3.47Å; V97-I121 HydrophobicContact CG1-CB 4.16Å; V97-I121 HydrophobicContact CG1-CG2 3.98Å; V97-I125 HydrophobicContact CG2-CD1 4.34Å
98A90.2Very high84.8Confident1 Ų158.3 Ų58.31%0.00831%0.31CS..Hα-helixtrans-66.2-40-179.900000111.8F11 A94 I95 G101 M102 F126 L182F11-A98 HydrophobicContact CD2-CB 3.94Å; F11-A98 HydrophobicContact CE2-CB 4.13Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 3.33Å; I95-A98 PolarHBondContact O-N 3.18Å; A98-G101 CarbonylContact O-C 3.54Å; A98-G101 PolarHBondContact O-N 2.91Å; A98-M102 WeakPolarHBondContact O-CG 3.46Å; A98-M102 PolarHBondContact O-N 2.99Å; A98-M102 VanDerWaalsContact O-N 3.15Å; A98-F126 HydrophobicContact CB-CE2 4.18Å; A98-L182 HydrophobicContact CB-CD1 4.41Å
99T88.9Confident83.1Confident33 Ų3364 Ų6420%0.20234%0.336CS..Hα-helixtrans-61.1-47.9177.248.10000111.7F11 I95 F96 G101 M102 M105F11-T99 HydrophobicContact CE1-CG2 4.47Å; F11-T99 HydrophobicContact CE2-CG2 3.69Å; F11-T99 HydrophobicContact CZ-CG2 3.5Å; I95-T99 HydrophobicContact CG2-CG2 4.28Å; I95-T99 WeakPolarHBondContact O-CB 3.29Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 2.86Å; I95-T99 PolarHBondContact O-OG1 2.97Å; F96-T99 WeakPolarHBondContact CA-OG1 3.4Å; F96-T99 PolarHBondContact O-OG1 2.05Å; T99-G101 PolarHBondContact O-N 3.3Å; T99-M102 HydrophobicContact CG2-CE 3.75Å; T99-M102 PolarHBondContact O-N 3.4Å; T99-M102 VanDerWaalsContact O-N 3.11Å; T99-M105 HydrophobicContact CG2-CE 4.25Å; T99-M105 WeakPolarHBondContact O-CE 3.49Å
100V87.6Confident81.4Confident56 Ų5666.8 Ų66.834%0.33935%0.351SS..Hα-helixtrans-60.4-33.1176.1-179.90000111.9F96 M118F96-V100 WeakPolarHBondContact O-CG2 3.43Å; F96-V100 PolarHBondContact O-N 2.93Å; V100-M118 HydrophobicContact CB-SD 4.35Å; V100-M118 HydrophobicContact CG1-SD 3.56Å; V100-M118 VanDerWaalsContact CG1-SD 3.56Å
101G82.2Confident80.4Confident1 Ų167.8 Ų67.81%0.0136%0.357CS..THydrogen-bonded Turntrans-79.6-7.5177.600000116.2Q7 V97 A98 T99 K115Q7-G101 PolarHBondContact NE2-O 3.37Å; V97-G101 PolarHBondContact O-N 3.15Å; A98-G101 CarbonylContact O-C 3.54Å; A98-G101 PolarHBondContact O-N 2.91Å; T99-G101 PolarHBondContact O-N 3.3Å; G101-K115 WeakPolarHBondContact CA-O 3.48Å
102M82.4Confident79.4Confident18 Ų1874.7 Ų74.79%0.08939%0.389CS..SBendtrans-75.7139.6-179.7-75-165.3-78.300112.4F11 A98 T99 C104 M105F11-M102 HydrophobicContact CB-SD 4.01Å; F11-M102 HydrophobicContact CD1-CE 3.77Å; F11-M102 HydrophobicContact CD1-SD 4Å; F11-M102 HydrophobicContact CD2-CE 3.97Å; F11-M102 HydrophobicContact CD2-SD 4.24Å; F11-M102 HydrophobicContact CE1-CE 3.77Å; F11-M102 HydrophobicContact CE2-CE 3.97Å; F11-M102 HydrophobicContact CG-CE 3.87Å; F11-M102 HydrophobicContact CG-SD 3.8Å; F11-M102 HydrophobicContact CZ-CE 3.87Å; A98-M102 WeakPolarHBondContact O-CG 3.46Å; A98-M102 PolarHBondContact O-N 2.99Å; A98-M102 VanDerWaalsContact O-N 3.15Å; T99-M102 HydrophobicContact CG2-CE 3.75Å; T99-M102 PolarHBondContact O-N 3.4Å; T99-M102 VanDerWaalsContact O-N 3.11Å; M102-C104 PolarHBondContact O-N 2.86Å; M102-C104 VanDerWaalsContact O-N 3.11Å; M102-M105 HydrophobicContact CB-CE 4.19Å; M102-M105 HydrophobicContact CE-CE 3.66Å; M102-M105 PolarHBondContact O-N 2.94Å
103K69.5Low78.6Confident91 Ų9176.7 Ų76.740%0.39640%0.401SS..THydrogen-bonded Turntrans-59.6-23.1177.5-67.6-177.3175.5-178.10114.2A2 A4 M105A2-K103 PolarHBondContact O-NZ 3.44Å; A4-K103 HydrophobicContact CB-CD 4.42Å; K103-M105 VanDerWaalsContact C-N 3.29Å
104C67.3Low77.8Confident120 Ų12076.9 Ų76.981%0.81140%0.4SS*.THydrogen-bonded Turntrans-75.8-14.9178.6-167.60000113.1M102M102-C104 PolarHBondContact O-N 2.86Å; M102-C104 VanDerWaalsContact O-N 3.11Å
105M69.9Low77.2Confident61 Ų6178 Ų7830%0.341%0.405SS..  trans-89.9129.7-179.2-117.467.476.200112.2T99 M102 K103 C107 K115T99-M105 HydrophobicContact CG2-CE 4.25Å; T99-M105 WeakPolarHBondContact O-CE 3.49Å; M102-M105 HydrophobicContact CB-CE 4.19Å; M102-M105 HydrophobicContact CE-CE 3.66Å; M102-M105 PolarHBondContact O-N 2.94Å; K103-M105 VanDerWaalsContact C-N 3.29Å; M105-C107 VanDerWaalsContact C-N 3.28Å; M105-C107 PolarHBondContact O-N 3.26Å; M105-K115 WeakPolarHBondContact O-CE 3.19Å; M105-K115 PolarHBondContact O-NZ 3.27Å; M105-K115 VanDerWaalsContact O-NZ 3.09Å
106K63.2Low76.5Confident174 Ų17478.1 Ų78.176%0.75741%0.406SS*.THydrogen-bonded Turntrans-73.4-10.1177.9-90.7-179.1171.2170.10114.8L108K106-L108 PolarHBondContact O-N 3.49Å
107C58.4Low76.1Confident99 Ų9979.9 Ų79.967%0.66941%0.408SS*.THydrogen-bonded Turntrans-66.80.2-169.5-660000116.9M105M105-C107 VanDerWaalsContact C-N 3.28Å; M105-C107 PolarHBondContact O-N 3.26Å
108L61.2Low75.9Confident43 Ų4380.9 Ų80.923%0.22541%0.411CS..  trans-15465.7-176.7-128.176.7000109.8K106 D110 Q114 K115 M118K106-L108 PolarHBondContact O-N 3.49Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.92Å; L108-Q114 HydrophobicContact CD2-CB 3.8Å; L108-K115 HydrophobicContact CB-CD 4.13Å; L108-K115 HydrophobicContact CB-CG 3.78Å; L108-K115 HydrophobicContact CD2-CG 3.99Å; L108-K115 VanDerWaalsContact O-CD 3.28Å; L108-K115 WeakPolarHBondContact O-CD 3.31Å; L108-K115 WeakPolarHBondContact O-CE 3.49Å; L108-K115 PolarHBondContact O-NZ 3.35Å; L108-M118 HydrophobicContact CD2-CE 4.07Å; L108-M118 HydrophobicContact CD2-SD 4.16Å
109E61.9Low75.8Confident149 Ų14980.9 Ų80.970%0.69641%0.411SS*.SBendtrans-70.2-28.7-172.3-137.8157.7148.300112.9
110D62.4Low75.8Confident161 Ų16180.8 Ų80.886%0.86141%0.41SS*.SBendtrans-86.9-14.6-169.2-66.3-47.3000115.8L108L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.92Å
111D75Confident76.1Confident74 Ų7482.6 Ų82.640%0.39642%0.417SS..  trans-140.590-173.9-101.3-36.4000114.2V113 Q114 K115D111-V113 PolarHBondContact O-N 3.35Å; D111-Q114 HydrophobicContact CB-CB 3.94Å; D111-Q114 HydrophobicContact CB-CG 3.8Å; D111-Q114 PolarHBondContact O-N 3.47Å; D111-K115 PolarHBondContact O-N 2.86Å
112E76.4Confident76.7Confident147 Ų14782.6 Ų82.669%0.68742%0.417SS*.Hα-helixtrans-59.8-31.2175.3-70.1-160.5146.600113.2K115 M116E112-K115 PolarHBondContact O-N 3.49Å; E112-M116 WeakPolarHBondContact O-CG 3.5Å; E112-M116 PolarHBondContact O-N 2.86Å
113V79.6Confident77.2Confident90 Ų9081.7 Ų81.755%0.54541%0.413SS..Hα-helixtrans-68-38.7179-179.90000110.9D111 R117D111-V113 PolarHBondContact O-N 3.35Å; V113-R117 WeakPolarHBondContact O-CG 3.4Å; V113-R117 PolarHBondContact O-N 3.34Å
114Q81.3Confident78.5Confident93 Ų9380.6 Ų80.644%0.43541%0.413SS..Hα-helixtrans-69.2-42.2176.4-67.9-173.5-17.900111.2L108 D111 M116 R117 M118L108-Q114 HydrophobicContact CD2-CB 3.8Å; D111-Q114 HydrophobicContact CB-CB 3.94Å; D111-Q114 HydrophobicContact CB-CG 3.8Å; D111-Q114 PolarHBondContact O-N 3.47Å; Q114-M116 PolarHBondContact O-N 2.87Å; Q114-R117 PolarHBondContact O-N 2.88Å; Q114-M118 WeakPolarHBondContact O-CG 3.27Å; Q114-M118 PolarHBondContact O-N 2.94Å
115K81.4Confident79.9Confident24 Ų2476.2 Ų76.210%0.10438%0.382CS..Hα-helixtrans-55.2-49.2173.2-77.6175.9149.3162.40112.2G101 M105 L108 D111 E112 R117 M118 A119G101-K115 WeakPolarHBondContact CA-O 3.48Å; M105-K115 WeakPolarHBondContact O-CE 3.19Å; M105-K115 PolarHBondContact O-NZ 3.27Å; M105-K115 VanDerWaalsContact O-NZ 3.09Å; L108-K115 HydrophobicContact CB-CD 4.13Å; L108-K115 HydrophobicContact CB-CG 3.78Å; L108-K115 HydrophobicContact CD2-CG 3.99Å; L108-K115 VanDerWaalsContact O-CD 3.28Å; L108-K115 WeakPolarHBondContact O-CD 3.31Å; L108-K115 WeakPolarHBondContact O-CE 3.49Å; L108-K115 PolarHBondContact O-NZ 3.35Å; D111-K115 PolarHBondContact O-N 2.86Å; E112-K115 PolarHBondContact O-N 3.49Å; K115-R117 PolarHBondContact O-N 3.23Å; K115-M118 PolarHBondContact O-N 3.49Å; K115-A119 PolarHBondContact O-N 3.29Å
116M80.6Confident81.2Confident28 Ų2873.4 Ų73.414%0.13837%0.367CS..Hα-helixtrans-60-43.1176.8-75.5-82.5-158.700112.2A2 E112 Q114 A119 V120A2-M116 HydrophobicContact CB-CE 4.28Å; E112-M116 WeakPolarHBondContact O-CG 3.5Å; E112-M116 PolarHBondContact O-N 2.86Å; Q114-M116 PolarHBondContact O-N 2.87Å; M116-A119 PolarHBondContact O-N 2.91Å; M116-V120 VanDerWaalsContact O-CG2 3.31Å; M116-V120 WeakPolarHBondContact O-CG2 3.28Å; M116-V120 PolarHBondContact O-N 2.89Å
117R85.9Confident82.9Confident174 Ų17467.6 Ų67.666%0.65734%0.344SS*.Hα-helixtrans-61.9-43.9176.5-78.2-178179.4-164.52.5111.8V113 Q114 K115 A119 V120 I121V113-R117 WeakPolarHBondContact O-CG 3.4Å; V113-R117 PolarHBondContact O-N 3.34Å; Q114-R117 PolarHBondContact O-N 2.88Å; K115-R117 PolarHBondContact O-N 3.23Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.86Å; R117-V120 PolarHBondContact O-N 2.78Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.44Å; R117-I121 PolarHBondContact O-N 3.1Å
118M87.9Confident84.8Confident61 Ų6167.7 Ų67.730%0.334%0.338SS..Hα-helixtrans-61.7-41.7176.7-69.9-178.3-17900111.6V97 V100 L108 Q114 K115 V120 I121 G122V97-M118 WeakPolarHBondContact CG1-O 3.47Å; V100-M118 HydrophobicContact CB-SD 4.35Å; V100-M118 HydrophobicContact CG1-SD 3.56Å; V100-M118 VanDerWaalsContact CG1-SD 3.56Å; L108-M118 HydrophobicContact CD2-CE 4.07Å; L108-M118 HydrophobicContact CD2-SD 4.16Å; Q114-M118 WeakPolarHBondContact O-CG 3.27Å; Q114-M118 PolarHBondContact O-N 2.94Å; K115-M118 PolarHBondContact O-N 3.49Å; M118-V120 VanDerWaalsContact C-N 3.32Å; M118-V120 PolarHBondContact O-N 2.96Å; M118-I121 PolarHBondContact O-N 3.21Å; M118-G122 PolarHBondContact O-N 2.86Å
119A88.6Confident86.5Confident2 Ų265.7 Ų65.72%0.01733%0.327CS..Hα-helixtrans-60.5-41.2175.400000112.7K115 M116 R117 G122 G123K115-A119 PolarHBondContact O-N 3.29Å; M116-A119 PolarHBondContact O-N 2.91Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.86Å; A119-G122 PolarHBondContact O-N 2.69Å; A119-G123 PolarHBondContact O-N 3.25Å
120V90.2Very high88.2Confident31 Ų3158.6 Ų58.619%0.18829%0.294CS..Hα-helixtrans-67.2-43.3176.5173.60000111.1M116 R117 M118 G122 G123 V124 C186M116-V120 VanDerWaalsContact O-CG2 3.31Å; M116-V120 WeakPolarHBondContact O-CG2 3.28Å; M116-V120 PolarHBondContact O-N 2.89Å; R117-V120 PolarHBondContact O-N 2.78Å; M118-V120 VanDerWaalsContact C-N 3.32Å; M118-V120 PolarHBondContact O-N 2.96Å; V120-G122 VanDerWaalsContact C-N 3.32Å; V120-G122 PolarHBondContact O-N 3.04Å; V120-G123 WeakPolarHBondContact O-CA 3.46Å; V120-G123 PolarHBondContact O-N 3.36Å; V120-G123 VanDerWaalsContact O-N 3.14Å; V120-V124 WeakPolarHBondContact O-CG2 2.95Å; V120-V124 PolarHBondContact O-N 3.45Å; V120-C186 WeakPolarHBondContact CG2-SG 3.28Å
121I92.9Very high89.9Confident94 Ų9455.6 Ų55.648%0.48228%0.278SS..Hα-helixtrans-59.6-45.8175.5-66.4163.9000109.9V97 R117 M118 G123 V124 I125V97-I121 HydrophobicContact CG1-CB 4.16Å; V97-I121 HydrophobicContact CG1-CG2 3.98Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.44Å; R117-I121 PolarHBondContact O-N 3.1Å; M118-I121 PolarHBondContact O-N 3.21Å; I121-G123 VanDerWaalsContact C-N 3.31Å; I121-G123 PolarHBondContact O-N 3.44Å; I121-V124 PolarHBondContact O-N 3.39Å; I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 HydrophobicContact CG2-CG1 4.49Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.29Å; I121-I125 PolarHBondContact O-N 2.64Å
122G93.9Very high90.9Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-57.8-43174.200000112.3M118 A119 V120 I125 F126M118-G122 PolarHBondContact O-N 2.86Å; A119-G122 PolarHBondContact O-N 2.69Å; V120-G122 VanDerWaalsContact C-N 3.32Å; V120-G122 PolarHBondContact O-N 3.04Å; G122-I125 PolarHBondContact O-N 3.38Å; G122-F126 WeakPolarHBondContact O-CD2 3.24Å; G122-F126 PolarHBondContact O-N 3.48Å
123G94.6Very high91.9Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-59.6-44.2174.200000113.5A119 V120 I121 F126 L127 G179 C183A119-G123 PolarHBondContact O-N 3.25Å; V120-G123 WeakPolarHBondContact O-CA 3.46Å; V120-G123 PolarHBondContact O-N 3.36Å; V120-G123 VanDerWaalsContact O-N 3.14Å; I121-G123 VanDerWaalsContact C-N 3.31Å; I121-G123 PolarHBondContact O-N 3.44Å; G123-F126 WeakPolarHBondContact O-CB 3.48Å; G123-F126 PolarHBondContact O-N 3.46Å; G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 2.96Å; G123-G179 WeakPolarHBondContact O-CA 3.31Å; G123-C183 VanDerWaalsContact C-SG 3.54Å
124V96.3Very high92.8Very high67 Ų6744.9 Ų44.941%0.40622%0.224SC..Hα-helixtrans-63.4-42.2176.5173.80000111.2V120 I121 F126 L127 L128 C183V120-V124 WeakPolarHBondContact O-CG2 2.95Å; V120-V124 PolarHBondContact O-N 3.45Å; I121-V124 PolarHBondContact O-N 3.39Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 2.97Å; V124-L127 WeakPolarHBondContact O-CB 3.43Å; V124-L127 PolarHBondContact O-N 3.45Å; V124-L128 HydrophobicContact CG1-CD1 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 3.4Å; V124-C183 PolarHBondContact N-SG 2.49Å
125I97.3Very high93.5Very high29 Ų2943.6 Ų43.615%0.14922%0.222CC..Hα-helixtrans-65-39.5177.2-58.9165.4000110.3L90 I93 A94 V97 I121 G122 L127 L128 A129L90-I125 HydrophobicContact CB-CG2 4.18Å; L90-I125 HydrophobicContact CD2-CG2 4.33Å; L90-I125 VanDerWaalsContact O-CG2 3.25Å; L90-I125 WeakPolarHBondContact O-CG2 3.39Å; I93-I125 HydrophobicContact CG2-CD1 4.23Å; A94-I125 HydrophobicContact CB-CB 3.85Å; A94-I125 HydrophobicContact CB-CG2 3.72Å; V97-I125 HydrophobicContact CG2-CD1 4.34Å; I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 HydrophobicContact CG2-CG1 4.49Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.29Å; I121-I125 PolarHBondContact O-N 2.64Å; G122-I125 PolarHBondContact O-N 3.38Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.91Å; I125-L128 PolarHBondContact O-N 3.39Å; I125-A129 WeakPolarHBondContact O-CB 3.42Å; I125-A129 PolarHBondContact O-N 2.8Å
126F97.3Very high94.2Very high1 Ų142.5 Ų42.50%0.00422%0.218CC..Hα-helixtrans-62.2-37.1172.7-88.8-60.1000113.2A14 W18 A94 I95 A98 G122 G123 V124 A129 G130 L182A14-F126 HydrophobicContact CB-CD1 3.8Å; A14-F126 HydrophobicContact CB-CD2 3.82Å; A14-F126 HydrophobicContact CB-CE1 3.76Å; A14-F126 HydrophobicContact CB-CE2 3.79Å; A14-F126 HydrophobicContact CB-CG 3.82Å; A14-F126 HydrophobicContact CB-CZ 3.73Å; W18-F126 HydrophobicContact CB-CE1 4.49Å; A94-F126 HydrophobicContact CB-CB 4.39Å; A94-F126 HydrophobicContact CB-CD1 3.84Å; A94-F126 HydrophobicContact CB-CD2 3.52Å; A94-F126 HydrophobicContact CB-CE1 3.97Å; A94-F126 HydrophobicContact CB-CE2 3.65Å; A94-F126 HydrophobicContact CB-CG 3.62Å; A94-F126 HydrophobicContact CB-CZ 3.89Å; I95-F126 HydrophobicContact CG1-CE1 4.2Å; I95-F126 HydrophobicContact CG1-CE2 4.5Å; I95-F126 HydrophobicContact CG1-CZ 3.55Å; A98-F126 HydrophobicContact CB-CE2 4.18Å; G122-F126 WeakPolarHBondContact O-CD2 3.24Å; G122-F126 PolarHBondContact O-N 3.48Å; G123-F126 WeakPolarHBondContact O-CB 3.48Å; G123-F126 PolarHBondContact O-N 3.46Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 2.97Å; F126-A129 PolarHBondContact O-N 2.88Å; F126-G130 PolarHBondContact O-N 2.94Å; F126-L182 HydrophobicContact CD2-CD1 4Å; F126-L182 HydrophobicContact CE2-CD1 4.35Å
127L97.8Very high94.9Very high52 Ų5241.1 Ų41.127%0.27221%0.211SC..Hα-helixtrans-63.4-45.2174.1-72.6172.4000111.4G123 V124 I125 G130 L131 L176 A180G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 2.96Å; V124-L127 WeakPolarHBondContact O-CB 3.43Å; V124-L127 PolarHBondContact O-N 3.45Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.91Å; L127-G130 PolarHBondContact O-N 2.96Å; L127-L131 VanDerWaalsContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 PolarHBondContact O-N 3.42Å; L127-L176 HydrophobicContact CD2-CD2 3.93Å; L127-L176 WeakPolarHBondContact CD2-O 3.4Å; L127-L176 WeakPolarHBondContact O-CD2 3.45Å; L127-A180 HydrophobicContact CD2-CB 4.3Å
128L97.8Very high95.4Very high101 Ų10135 Ų3553%0.52920%0.198SC..Hα-helixtrans-63.8-42.4176.8-66.3174.6000111.7V124 I125 L131 A132V124-L128 HydrophobicContact CG1-CD1 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 3.4Å; I125-L128 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 2.93Å; L128-A132 WeakPolarHBondContact O-CB 3.31Å; L128-A132 PolarHBondContact O-N 3.44Å
129A97.7Very high95.7Very high1 Ų138.1 Ų38.11%0.00821%0.206CC..Hα-helixtrans-60.8-49.9175.200000111.8G87 L90 I125 F126 L131 A132 I133G87-A129 WeakPolarHBondContact O-CB 3.32Å; L90-A129 HydrophobicContact CB-CB 3.87Å; I125-A129 WeakPolarHBondContact O-CB 3.42Å; I125-A129 PolarHBondContact O-N 2.8Å; F126-A129 PolarHBondContact O-N 2.88Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 3.04Å; A129-A132 PolarHBondContact O-N 3.28Å; A129-I133 WeakPolarHBondContact O-CD1 3.13Å; A129-I133 WeakPolarHBondContact O-CG1 3.35Å; A129-I133 PolarHBondContact O-N 3.43Å
130G97.4Very high95.9Very high0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-61.6-3917800000112.7F126 L127 I133 L134F126-G130 PolarHBondContact O-N 2.94Å; L127-G130 PolarHBondContact O-N 2.96Å; G130-I133 PolarHBondContact O-N 2.98Å; G130-L134 WeakPolarHBondContact O-CB 3.39Å; G130-L134 PolarHBondContact O-N 2.79Å
131L97.8Very high96.1Very high99 Ų9936.9 Ų36.952%0.51820%0.199SC..Hα-helixtrans-67.3-41.3176.5-169.6144.6000111.7L127 L128 A129 I133 L134 V135 L176L127-L131 VanDerWaalsContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 PolarHBondContact O-N 3.42Å; L128-L131 PolarHBondContact O-N 2.93Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 3.04Å; L131-I133 PolarHBondContact O-N 2.85Å; L131-L134 PolarHBondContact O-N 3.07Å; L131-V135 HydrophobicContact CD2-CG2 3.98Å; L131-V135 WeakPolarHBondContact O-CB 3.3Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.29Å; L131-V135 PolarHBondContact O-N 3.48Å; L131-L176 HydrophobicContact CB-CD2 4.41Å
132A97.2Very high96.1Very high16 Ų1636.3 Ų36.313%0.13220%0.196CC..Hα-helixtrans-60.6-44.117500000111.9L128 A129 V135 A136L128-A132 WeakPolarHBondContact O-CB 3.31Å; L128-A132 PolarHBondContact O-N 3.44Å; A129-A132 PolarHBondContact O-N 3.28Å; A132-V135 PolarHBondContact O-N 2.98Å; A132-A136 WeakPolarHBondContact O-CB 3.48Å; A132-A136 PolarHBondContact O-N 3.43Å
133I97.3Very high96Very high1 Ų138.1 Ų38.11%0.00520%0.203CC..Hα-helixtrans-64.6-41.9176.3-64.1158.5000110.8A21 M84 A129 G130 L131 A136 T137 A172A21-I133 HydrophobicContact CB-CD1 3.53Å; A21-I133 HydrophobicContact CB-CG1 4.36Å; M84-I133 HydrophobicContact CE-CG2 4.03Å; M84-I133 HydrophobicContact SD-CB 4.35Å; M84-I133 HydrophobicContact SD-CG1 4.39Å; M84-I133 HydrophobicContact SD-CG2 3.88Å; A129-I133 WeakPolarHBondContact O-CD1 3.13Å; A129-I133 WeakPolarHBondContact O-CG1 3.35Å; A129-I133 PolarHBondContact O-N 3.43Å; G130-I133 PolarHBondContact O-N 2.98Å; L131-I133 PolarHBondContact O-N 2.85Å; I133-A136 PolarHBondContact O-N 3.49Å; I133-T137 HydrophobicContact CG2-CG2 4.44Å; I133-T137 WeakPolarHBondContact O-CB 3.37Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 2.85Å; I133-A172 HydrophobicContact CB-CB 4.32Å; I133-A172 HydrophobicContact CG2-CB 4.01Å
134L97.6Very high95.9Very high68 Ų6838.3 Ų38.336%0.35620%0.204SC..Hα-helixtrans-63-45.4177.4-173.562.6000111.3G130 L131 A136 T137 A138 A172 L176G130-L134 WeakPolarHBondContact O-CB 3.39Å; G130-L134 PolarHBondContact O-N 2.79Å; L131-L134 PolarHBondContact O-N 3.07Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 2.77Å; L134-T137 PolarHBondContact O-N 2.69Å; L134-T137 PolarHBondContact O-OG1 2.81Å; L134-T137 VanDerWaalsContact O-OG1 3.11Å; L134-A138 WeakPolarHBondContact O-CB 3.43Å; L134-A138 PolarHBondContact O-N 2.91Å; L134-A172 HydrophobicContact CB-CB 3.94Å; L134-A172 HydrophobicContact CD1-CB 4.24Å; L134-L176 HydrophobicContact CD2-CD1 4.1Å
135V96.8Very high95.7Very high67 Ų6737.5 Ų37.541%0.40620%0.199SC..Hα-helixtrans-62.4-43.9177.2171.20000110.5L83 L131 A132 T137 W139L83-V135 HydrophobicContact CD1-CG1 4.17Å; L131-V135 HydrophobicContact CD2-CG2 3.98Å; L131-V135 WeakPolarHBondContact O-CB 3.3Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.29Å; L131-V135 PolarHBondContact O-N 3.48Å; A132-V135 PolarHBondContact O-N 2.98Å; V135-T137 PolarHBondContact O-N 2.78Å; V135-W139 WeakPolarHBondContact O-CB 3.21Å; V135-W139 PolarHBondContact O-N 3.15Å
136A95.5Very high95.4Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-59.1-49.9178.500000112.2T80 L83 M84 A132 I133 L134 Y140T80-A136 HydrophobicContact CG2-CB 4.09Å; L83-A136 HydrophobicContact CB-CB 3.64Å; L83-A136 HydrophobicContact CD1-CB 4.15Å; M84-A136 HydrophobicContact CG-CB 3.99Å; M84-A136 HydrophobicContact SD-CB 3.79Å; A132-A136 WeakPolarHBondContact O-CB 3.48Å; A132-A136 PolarHBondContact O-N 3.43Å; I133-A136 PolarHBondContact O-N 3.49Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 2.77Å; A136-Y140 WeakPolarHBondContact O-CB 3.45Å; A136-Y140 PolarHBondContact O-N 3.49Å; A136-Y140 VanDerWaalsContact O-N 3.09Å
137T95.6Very high95Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-72.5-41.3-177.751.80000112.1W30 M84 I133 L134 V135 G141 L165 W169W30-T137 HydrophobicContact CH2-CG2 3.7Å; W30-T137 HydrophobicContact CZ3-CG2 4.03Å; M84-T137 HydrophobicContact SD-CG2 4.18Å; I133-T137 HydrophobicContact CG2-CG2 4.44Å; I133-T137 WeakPolarHBondContact O-CB 3.37Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 2.85Å; L134-T137 PolarHBondContact O-N 2.69Å; L134-T137 PolarHBondContact O-OG1 2.81Å; L134-T137 VanDerWaalsContact O-OG1 3.11Å; V135-T137 PolarHBondContact O-N 2.78Å; T137-G141 PolarHBondContact O-N 2.89Å; T137-L165 WeakPolarHBondContact O-CD2 3.37Å; T137-W169 VanDerWaalsContact OG1-CD1 3.26Å; T137-W169 PolarHBondContact OG1-NE1 2.98Å
138A95.4Very high94.6Very high46 Ų4645.2 Ų45.238%0.3823%0.232SC..Hα-helixtrans-66.3-41.5176.700000112L134 G141 N142L134-A138 WeakPolarHBondContact O-CB 3.43Å; L134-A138 PolarHBondContact O-N 2.91Å; A138-G141 PolarHBondContact O-N 2.88Å; A138-N142 VanDerWaalsContact O-CB 3.32Å; A138-N142 WeakPolarHBondContact O-CB 3.13Å; A138-N142 PolarHBondContact O-N 3.36Å
139W94.8Very high94.1Very high126 Ų12648.9 Ų48.948%0.47724%0.241SC..Hα-helixtrans-66-46.4177.7-171.79.2000111.4A79 L83 V135 G141 N142 R143A79-W139 HydrophobicContact CB-CH2 4.26Å; A79-W139 HydrophobicContact CB-CZ3 3.91Å; L83-W139 HydrophobicContact CD1-CE3 4.45Å; V135-W139 WeakPolarHBondContact O-CB 3.21Å; V135-W139 PolarHBondContact O-N 3.15Å; W139-G141 VanDerWaalsContact C-N 3.35Å; W139-G141 PolarHBondContact O-N 3.43Å; W139-N142 PolarHBondContact O-N 3.04Å; W139-R143 PolarHBondContact O-N 2.91Å; W139-R143 VanDerWaalsContact O-N 3.11Å
140Y93.6Very high93.8Very high4 Ų451.9 Ų51.92%0.01626%0.257CS..Hα-helixtrans-61.5-44.6176-166.3-94.2000111.6W30 L77 T80 A136 R143 I144 L165W30-Y140 HydrophobicContact CB-CE1 3.92Å; W30-Y140 AromaticContact CE3-CD1 3.63Å; W30-Y140 HydrophobicContact CE3-CD1 3.63Å; W30-Y140 HydrophobicContact CE3-CE1 4.01Å; W30-Y140 AromaticContact CE3-CG 3.98Å; W30-Y140 HydrophobicContact CE3-CG 3.98Å; W30-Y140 HydrophobicContact CZ3-CD1 4.28Å; W30-Y140 HydrophobicContact CZ3-CG 4.25Å; L77-Y140 HydrophobicContact CB-CE2 4.43Å; L77-Y140 HydrophobicContact CG-CE2 4.32Å; T80-Y140 HydrophobicContact CG2-CD2 4.34Å; T80-Y140 HydrophobicContact CG2-CG 4.46Å; A136-Y140 WeakPolarHBondContact O-CB 3.45Å; A136-Y140 PolarHBondContact O-N 3.49Å; A136-Y140 VanDerWaalsContact O-N 3.09Å; Y140-R143 PolarHBondContact O-N 3.09Å; Y140-I144 HydrophobicContact CD1-CD1 3.84Å; Y140-I144 HydrophobicContact CD1-CG1 4.28Å; Y140-I144 HydrophobicContact CE1-CD1 3.76Å; Y140-I144 HydrophobicContact CE1-CG1 4.18Å; Y140-I144 PolarHBondContact O-N 3.25Å; Y140-I144 VanDerWaalsContact O-N 3.13Å; Y140-L165 HydrophobicContact CD1-CD1 4.18Å
141G93.4Very high93.3Very high3 Ų357.5 Ų57.53%0.03129%0.293CS..Hα-helixtrans-60-45.7176.400000112.9T137 A138 W139 R143 I144 V145T137-G141 PolarHBondContact O-N 2.89Å; A138-G141 PolarHBondContact O-N 2.88Å; W139-G141 VanDerWaalsContact C-N 3.35Å; W139-G141 PolarHBondContact O-N 3.43Å; G141-R143 VanDerWaalsContact C-N 3.25Å; G141-R143 PolarHBondContact O-N 3.17Å; G141-I144 WeakPolarHBondContact O-CB 3.29Å; G141-I144 PolarHBondContact O-N 3.18Å; G141-V145 WeakPolarHBondContact O-CG2 3.44Å; G141-V145 PolarHBondContact O-N 3.4Å; G141-V145 VanDerWaalsContact O-N 3.11Å
142N93.9Very high92.9Very high81 Ų8160.6 Ų60.643%0.43331%0.307SS..Hα-helixtrans-59.7-37.4176.9-178.567.4000112A138 W139 V145 Q146A138-N142 VanDerWaalsContact O-CB 3.32Å; A138-N142 WeakPolarHBondContact O-CB 3.13Å; A138-N142 PolarHBondContact O-N 3.36Å; W139-N142 PolarHBondContact O-N 3.04Å; N142-V145 WeakPolarHBondContact O-CB 3.44Å; N142-V145 PolarHBondContact O-N 3.4Å; N142-Q146 PolarHBondContact ND2-NE2 3.15Å; N142-Q146 VanDerWaalsContact ND2-NE2 3.14Å; N142-Q146 WeakPolarHBondContact O-CG 3.23Å; N142-Q146 PolarHBondContact O-N 3.48Å
143R91.8Very high92.2Very high38 Ų3860.8 Ų60.814%0.14331%0.306CS..Hα-helixtrans-66.4-37.4175.1178.7-88.2175.7-152.624.5112.2R31 T76 W139 Y140 G141 V145 Q146 E147R31-R143 VanDerWaalsContact NH1-CZ 3.34Å; R31-R143 VanDerWaalsContact NH1-NH1 3.17Å; T76-R143 HydrophobicContact CG2-CB 4.43Å; W139-R143 PolarHBondContact O-N 2.91Å; W139-R143 VanDerWaalsContact O-N 3.11Å; Y140-R143 PolarHBondContact O-N 3.09Å; G141-R143 VanDerWaalsContact C-N 3.25Å; G141-R143 PolarHBondContact O-N 3.17Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-Q146 PolarHBondContact O-N 3.48Å; R143-E147 IonicContact CZ-OE1 3.09Å; R143-E147 IonicContact CZ-OE2 3.84Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 PolarHBondContact NE-OE1 3.08Å; R143-E147 IonicContact NE-OE2 2.63Å; R143-E147 IonicContact NH1-OE1 3.01Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 2.6Å; R143-E147 PolarHBondContact NH1-OE2 2.82Å; R143-E147 IonicContact NH2-OE1 3.79Å; R143-E147 PolarHBondContact NH2-OE1 3.46Å; R143-E147 IonicContact NH2-OE2 2.78Å; R143-E147 PolarHBondContact NH2-OE2 3.45Å; R143-E147 PolarHBondContact O-N 2.95Å; R143-E147 VanDerWaalsContact O-N 3.11Å
144I91.2Very high91.5Very high4 Ų464.2 Ų64.22%0.02133%0.329CS..Hα-helixtrans-60.3-46175-63.5169.7000109.6R31 Y140 G141 Q146 E147 F148 Y159 F161 L165R31-I144 HydrophobicContact CB-CD1 3.92Å; R31-I144 HydrophobicContact CB-CG1 4.43Å; Y140-I144 HydrophobicContact CD1-CD1 3.84Å; Y140-I144 HydrophobicContact CD1-CG1 4.28Å; Y140-I144 HydrophobicContact CE1-CD1 3.76Å; Y140-I144 HydrophobicContact CE1-CG1 4.18Å; Y140-I144 PolarHBondContact O-N 3.25Å; Y140-I144 VanDerWaalsContact O-N 3.13Å; G141-I144 WeakPolarHBondContact O-CB 3.29Å; G141-I144 PolarHBondContact O-N 3.18Å; I144-Q146 PolarHBondContact O-N 2.99Å; I144-E147 PolarHBondContact O-N 2.88Å; I144-F148 WeakPolarHBondContact O-CB 3.34Å; I144-F148 PolarHBondContact O-N 3.38Å; I144-Y159 WeakPolarHBondContact CG2-O 3.46Å; I144-F161 HydrophobicContact CB-CE1 4.41Å; I144-F161 HydrophobicContact CD1-CD1 4.14Å; I144-L165 HydrophobicContact CD1-CD1 3.74Å
145V92.4Very high90.5Very high50 Ų5065 Ų6530%0.30334%0.336SS..Hα-helixtrans-59.3-48.4177.5175.80000111.3G141 N142 R143 E147 F148 Y149 F161G141-V145 WeakPolarHBondContact O-CG2 3.44Å; G141-V145 PolarHBondContact O-N 3.4Å; G141-V145 VanDerWaalsContact O-N 3.11Å; N142-V145 WeakPolarHBondContact O-CB 3.44Å; N142-V145 PolarHBondContact O-N 3.4Å; R143-V145 VanDerWaalsContact C-N 3.31Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.4Å; V145-F148 PolarHBondContact O-N 3.1Å; V145-Y149 HydrophobicContact CG1-CD2 3.75Å; V145-Y149 HydrophobicContact CG1-CE2 3.8Å; V145-Y149 VanDerWaalsContact O-CD2 3.25Å; V145-Y149 WeakPolarHBondContact O-CD2 3.37Å; V145-Y149 PolarHBondContact O-N 2.96Å; V145-F161 HydrophobicContact CG2-CE1 4.11Å; V145-F161 HydrophobicContact CG2-CE2 4.16Å; V145-F161 HydrophobicContact CG2-CZ 3.36Å
146Q91.6Very high89.4Confident119 Ų11965.9 Ų65.956%0.55634%0.339SS*.Hα-helixtrans-57.1-44.4179.5-75.6175.3-14.500111.9N142 R143 I144 Y149 D150N142-Q146 PolarHBondContact ND2-NE2 3.15Å; N142-Q146 VanDerWaalsContact ND2-NE2 3.14Å; N142-Q146 WeakPolarHBondContact O-CG 3.23Å; N142-Q146 PolarHBondContact O-N 3.48Å; R143-Q146 PolarHBondContact O-N 3.48Å; I144-Q146 PolarHBondContact O-N 2.99Å; Q146-Y149 PolarHBondContact O-N 2.86Å; Q146-D150 PolarHBondContact O-N 3.32Å
147E88.9Confident88.4Confident64 Ų6467.3 Ų67.330%0.29935%0.351SS..Hα-helixtrans-73-29.8179-74.8-159.8-173.900114.5R143 I144 V145 Y149 D150 T153R143-E147 IonicContact CZ-OE1 3.09Å; R143-E147 IonicContact CZ-OE2 3.84Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 PolarHBondContact NE-OE1 3.08Å; R143-E147 IonicContact NE-OE2 2.63Å; R143-E147 IonicContact NH1-OE1 3.01Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 2.6Å; R143-E147 PolarHBondContact NH1-OE2 2.82Å; R143-E147 IonicContact NH2-OE1 3.79Å; R143-E147 PolarHBondContact NH2-OE1 3.46Å; R143-E147 IonicContact NH2-OE2 2.78Å; R143-E147 PolarHBondContact NH2-OE2 3.45Å; R143-E147 PolarHBondContact O-N 2.95Å; R143-E147 VanDerWaalsContact O-N 3.11Å; I144-E147 PolarHBondContact O-N 2.88Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.4Å; E147-Y149 VanDerWaalsContact C-N 3.28Å; E147-Y149 PolarHBondContact O-N 2.86Å; E147-D150 PolarHBondContact O-N 2.98Å; E147-T153 WeakPolarHBondContact O-CB 3.34Å; E147-T153 PolarHBondContact O-OG1 2.99Å
148F87.8Confident87.8Confident61 Ų6170.4 Ų70.427%0.26836%0.362SS..Hα-helixtrans-64.7-37175.7-170.9-87.2000111.7I144 V145 R158 Y159I144-F148 WeakPolarHBondContact O-CB 3.34Å; I144-F148 PolarHBondContact O-N 3.38Å; V145-F148 PolarHBondContact O-N 3.1Å; F148-R158 HydrophobicContact CD2-CB 3.95Å; F148-R158 HydrophobicContact CD2-CG 4.47Å; F148-R158 HydrophobicContact CE2-CB 4.09Å; F148-Y159 WeakPolarHBondContact CD2-O 3.49Å
149Y89.2Confident87.4Confident178 Ų17869.7 Ų69.770%0.69835%0.35SS*.Hα-helixtrans-92.3-5.9179.8-70.6-67.7000114.5V145 Q146 E147 P151V145-Y149 HydrophobicContact CG1-CD2 3.75Å; V145-Y149 HydrophobicContact CG1-CE2 3.8Å; V145-Y149 VanDerWaalsContact O-CD2 3.25Å; V145-Y149 WeakPolarHBondContact O-CD2 3.37Å; V145-Y149 PolarHBondContact O-N 2.96Å; Q146-Y149 PolarHBondContact O-N 2.86Å; E147-Y149 VanDerWaalsContact C-N 3.28Å; E147-Y149 PolarHBondContact O-N 2.86Å; Y149-P151 WeakPolarHBondContact O-CD 3.25Å
150D90.3Very high87.2Confident65 Ų6568.5 Ų68.535%0.34835%0.349SS..  trans-69.1120.5177.3-173.5-11.7000110.2Q146 E147 M152 T153Q146-D150 PolarHBondContact O-N 3.32Å; E147-D150 PolarHBondContact O-N 2.98Å; D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.4Å; D150-M152 PolarHBondContact OD1-N 3.13Å; D150-T153 PolarHBondContact O-N 3.39Å; D150-T153 VanDerWaalsContact O-N 3.08Å
151P88.1Confident87.1Confident117 Ų11771.9 Ų71.976%0.7637%0.365SS*.THydrogen-bonded Turntrans-63.7-19.1177.826.7-35.7000113.5Y149 T153Y149-P151 WeakPolarHBondContact O-CD 3.25Å; P151-T153 VanDerWaalsContact C-N 3.33Å
152M89.1Confident87.1Confident164 Ų16471.8 Ų71.881%0.80836%0.363SS*.THydrogen-bonded Turntrans-79.5-17.3176.2-59.6-60.3-68.200112.5D150 P154D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.4Å; D150-M152 PolarHBondContact OD1-N 3.13Å; M152-P154 WeakPolarHBondContact O-CD 3.38Å
153T82.9Confident87.1Confident21 Ų2173.8 Ų73.813%0.12937%0.37CS..SBendtrans-79116.8176.6-53.60000109.4E147 D150 P151 R158E147-T153 WeakPolarHBondContact O-CB 3.34Å; E147-T153 PolarHBondContact O-OG1 2.99Å; D150-T153 PolarHBondContact O-N 3.39Å; D150-T153 VanDerWaalsContact O-N 3.08Å; P151-T153 VanDerWaalsContact C-N 3.33Å; T153-R158 HydrophobicContact CG2-CG 4.19Å
154P81.4Confident87.2Confident73 Ų7372 Ų7247%0.47436%0.363SS..  trans-66.4144.9-178.332.4-36.8000109.3M152 N156 A157M152-P154 WeakPolarHBondContact O-CD 3.38Å; P154-N156 WeakPolarHBondContact CB-OD1 3.41Å; P154-N156 WeakPolarHBondContact CG-OD1 3.41Å; P154-N156 PolarHBondContact O-N 3.5Å; P154-N156 VanDerWaalsContact O-N 3.09Å; P154-A157 HydrophobicContact CG-CB 3.83Å; P154-A157 PolarHBondContact O-N 3.21Å
155V76.1Confident87.4Confident85 Ų8571.8 Ų71.852%0.51536%0.362SS..G310 helixtrans-57.4-32.2-172.4-173.90000111.6Y35 A157Y35-V155 HydrophobicContact CD2-CG1 4.23Å; Y35-V155 HydrophobicContact CE2-CG1 4.17Å; V155-A157 PolarHBondContact O-N 3.36Å
156N73.4Confident87.5Confident85 Ų8574.6 Ų74.646%0.45537%0.37SS..G310 helixtrans-73.9-3.7178.369.4-28.2000114.3Y33 Y35 P154Y33-N156 WeakPolarHBondContact CE1-O 3.42Å; Y33-N156 PolarHBondContact OH-O 3.5Å; Y35-N156 HydrophobicContact CD1-CB 3.7Å; Y35-N156 HydrophobicContact CE1-CB 3.75Å; Y35-N156 HydrophobicContact CG-CB 4.22Å; P154-N156 WeakPolarHBondContact CB-OD1 3.41Å; P154-N156 WeakPolarHBondContact CG-OD1 3.41Å; P154-N156 PolarHBondContact O-N 3.5Å; P154-N156 VanDerWaalsContact O-N 3.09Å
157A75.7Confident87.7Confident30 Ų3071.3 Ų71.325%0.24836%0.358CS..G310 helixtrans-123.321-177.900000114Y33 P154 V155Y33-A157 WeakPolarHBondContact OH-CA 3.36Å; P154-A157 HydrophobicContact CG-CB 3.83Å; P154-A157 PolarHBondContact O-N 3.21Å; V155-A157 PolarHBondContact O-N 3.36Å
158R83.2Confident88.1Confident65 Ų6568.2 Ų68.225%0.24534%0.344CS..  trans-82.8145.2-179.3-66-175.7-178.9-179.8-1.5112S34 F148 T153S34-R158 WeakPolarHBondContact CB-O 3.14Å; S34-R158 PolarHBondContact N-O 2.89Å; F148-R158 HydrophobicContact CD2-CB 3.95Å; F148-R158 HydrophobicContact CD2-CG 4.47Å; F148-R158 HydrophobicContact CE2-CB 4.09Å; T153-R158 HydrophobicContact CG2-CG 4.19Å
159Y86.4Confident88.6Confident30 Ų3069.2 Ų69.212%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-117.6143.8178.7-73.4-88.7000111.6R31 I32 Y33 E48 I144 F148R31-Y159 HydrophobicContact CB-CD1 3.97Å; R31-Y159 HydrophobicContact CB-CG 4.39Å; R31-Y159 HydrophobicContact CG-CD1 3.68Å; R31-Y159 HydrophobicContact CG-CE1 4.12Å; R31-Y159 HydrophobicContact CG-CG 4.25Å; I32-Y159 CarbonylContact O-C 3.51Å; I32-Y159 VanDerWaalsContact O-CA 3.29Å; I32-Y159 WeakPolarHBondContact O-CA 3.28Å; Y33-Y159 HydrophobicContact CD2-CD1 4.2Å; Y33-Y159 AromaticContact CD2-CE1 3.66Å; Y33-Y159 HydrophobicContact CD2-CE1 3.66Å; Y33-Y159 HydrophobicContact CD2-CE2 4.17Å; Y33-Y159 AromaticContact CD2-CZ 3.62Å; Y33-Y159 HydrophobicContact CE2-CE1 4.38Å; Y33-Y159 HydrophobicContact CE2-CE2 4.16Å; Y33-Y159 AromaticContact CE2-CZ 3.87Å; E48-Y159 HydrophobicContact CG-CE1 4.41Å; E48-Y159 PolarHBondContact OE1-OH 3.24Å; I144-Y159 WeakPolarHBondContact CG2-O 3.46Å; F148-Y159 WeakPolarHBondContact CD2-O 3.49Å
160E90.5Very high89Confident101 Ų10163 Ų6347%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-107.1167.1172.7-94.4159.8-131.600112R31 I32 S34 G162R31-E160 WeakPolarHBondContact CA-O 3.37Å; I32-E160 PolarHBondContact N-O 3.01Å; I32-E160 PolarHBondContact O-N 3.32Å; S34-E160 WeakPolarHBondContact CB-OE1 3.25Å; S34-E160 WeakPolarHBondContact OG-CG 3.37Å; S34-E160 PolarHBondContact OG-N 2.92Å; S34-E160 PolarHBondContact OG-OE1 3.46Å; E160-G162 PolarHBondContact O-N 2.95Å
161F92.5Very high89.3Confident76 Ų7660 Ų6033%0.33332%0.316SS..EExtended strand (participates in β ladder)trans-64.3125.4174.8-63.9-65.2000111.4I144 V145 L165 F166 W169I144-F161 HydrophobicContact CB-CE1 4.41Å; I144-F161 HydrophobicContact CD1-CD1 4.14Å; V145-F161 HydrophobicContact CG2-CE1 4.11Å; V145-F161 HydrophobicContact CG2-CE2 4.16Å; V145-F161 HydrophobicContact CG2-CZ 3.36Å; F161-L165 HydrophobicContact CD1-CD1 4.31Å; F161-F166 HydrophobicContact CB-CE2 3.89Å; F161-F166 HydrophobicContact CB-CZ 3.93Å; F161-W169 HydrophobicContact CD1-CH2 4.41Å; F161-W169 HydrophobicContact CE1-CH2 4.28Å
162G92.4Very high89.8Confident0 Ų054.5 Ų54.50%028%0.28CS..  trans-86.1163.5172.200000113.8Q29 W30 E160 A164 L165 F166Q29-G162 CarbonylContact O-C 3.57Å; Q29-G162 WeakPolarHBondContact O-CA 3.22Å; W30-G162 PolarHBondContact O-N 2.89Å; E160-G162 PolarHBondContact O-N 2.95Å; G162-A164 PolarHBondContact O-N 3.49Å; G162-L165 PolarHBondContact O-N 3.37Å; G162-L165 VanDerWaalsContact O-N 3.13Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å
163Q93.5Very high90.2Very high123 Ų12349.2 Ų49.258%0.57526%0.259SS*.Hα-helixtrans-58.8-28.2-179.5-63.8-175-4.900113.3Q29 L165 F166 T167Q29-Q163 PolarHBondContact O-N 3.49Å; Q29-Q163 VanDerWaalsContact O-N 3.17Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.18Å; Q163-F166 PolarHBondContact O-N 3.09Å; Q163-T167 WeakPolarHBondContact O-CG2 3.4Å; Q163-T167 PolarHBondContact O-N 2.6Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 2.71Å
164A94.6Very high90.9Very high0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-66.2-29.8178.800000112.9S24 L27 Q29 W30 G162 T167 G168S24-A164 PolarHBondContact OG-O 3.4Å; L27-A164 HydrophobicContact CB-CB 3.85Å; L27-A164 HydrophobicContact CD1-CB 4.49Å; Q29-A164 WeakPolarHBondContact O-CB 3.15Å; Q29-A164 PolarHBondContact O-N 3.09Å; W30-A164 HydrophobicContact CD2-CB 4.43Å; W30-A164 HydrophobicContact CG-CB 3.93Å; G162-A164 PolarHBondContact O-N 3.49Å; A164-T167 VanDerWaalsContact CA-OG1 3.29Å; A164-T167 WeakPolarHBondContact CA-OG1 2.83Å; A164-T167 PolarHBondContact O-OG1 3.49Å; A164-G168 PolarHBondContact O-N 2.97Å
165L94.7Very high91.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-71.1-43.3174.6-86.5124.6000112W30 T137 Y140 I144 F161 G162 Q163 T167 G168 W169W30-L165 HydrophobicContact CE3-CD1 4.4Å; W30-L165 HydrophobicContact CE3-CG 4.11Å; W30-L165 HydrophobicContact CZ3-CG 4.49Å; W30-L165 WeakPolarHBondContact O-CD1 3.07Å; T137-L165 WeakPolarHBondContact O-CD2 3.37Å; Y140-L165 HydrophobicContact CD1-CD1 4.18Å; I144-L165 HydrophobicContact CD1-CD1 3.74Å; F161-L165 HydrophobicContact CD1-CD1 4.31Å; G162-L165 PolarHBondContact O-N 3.37Å; G162-L165 VanDerWaalsContact O-N 3.13Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.18Å; L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 2.87Å; L165-G168 CarbonylContact O-C 3.59Å; L165-G168 WeakPolarHBondContact O-CA 2.99Å; L165-G168 PolarHBondContact O-N 2.85Å; L165-G168 VanDerWaalsContact O-N 3.08Å; L165-W169 HydrophobicContact CD2-CZ2 4.06Å; L165-W169 PolarHBondContact O-N 3.03Å
166F95.8Very high92.7Very high109 Ų10945.6 Ų45.648%0.47823%0.232SC..Hα-helixtrans-61.9-43178.4-64.1-70.6000111.2F161 G162 Q163 G168 W169 A170F161-F166 HydrophobicContact CB-CE2 3.89Å; F161-F166 HydrophobicContact CB-CZ 3.93Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å; Q163-F166 PolarHBondContact O-N 3.09Å; F166-G168 VanDerWaalsContact C-N 3.31Å; F166-G168 PolarHBondContact O-N 2.9Å; F166-W169 AromaticContact CD1-CE3 3.88Å; F166-W169 HydrophobicContact CD1-CE3 3.88Å; F166-W169 AromaticContact CD1-CZ3 3.74Å; F166-W169 HydrophobicContact CD1-CZ3 3.74Å; F166-W169 HydrophobicContact CE1-CE3 4.34Å; F166-W169 AromaticContact CE1-CZ3 3.74Å; F166-W169 HydrophobicContact CE1-CZ3 3.74Å; F166-W169 PolarHBondContact O-N 2.9Å; F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.5Å
167T96.1Very high93.8Very high50 Ų5046.5 Ų46.531%0.30724%0.236SC..Hα-helixtrans-64.2-36.3172.953.70000112Q163 A164 L165 A170 A171Q163-T167 WeakPolarHBondContact O-CG2 3.4Å; Q163-T167 PolarHBondContact O-N 2.6Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 2.71Å; A164-T167 VanDerWaalsContact CA-OG1 3.29Å; A164-T167 WeakPolarHBondContact CA-OG1 2.83Å; A164-T167 PolarHBondContact O-OG1 3.49Å; L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 2.87Å; T167-A170 PolarHBondContact O-N 3.28Å; T167-A171 WeakPolarHBondContact O-CB 3.11Å; T167-A171 PolarHBondContact O-N 3.01Å
168G96.9Very high94.7Very high0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-64.3-42.3174.400000113.9S24 A164 L165 F166 A171 A172S24-G168 WeakPolarHBondContact OG-CA 3.31Å; S24-G168 PolarHBondContact OG-N 3.15Å; A164-G168 PolarHBondContact O-N 2.97Å; L165-G168 CarbonylContact O-C 3.59Å; L165-G168 WeakPolarHBondContact O-CA 2.99Å; L165-G168 PolarHBondContact O-N 2.85Å; L165-G168 VanDerWaalsContact O-N 3.08Å; F166-G168 VanDerWaalsContact C-N 3.31Å; F166-G168 PolarHBondContact O-N 2.9Å; G168-A171 WeakPolarHBondContact O-CB 3.39Å; G168-A171 PolarHBondContact O-N 3.46Å; G168-A172 WeakPolarHBondContact O-CB 3.29Å; G168-A172 PolarHBondContact O-N 3.13Å
169W97.6Very high95.3Very high82 Ų8242 Ų4231%0.31121%0.213SC..Hα-helixtrans-67.6-40.5174.4-67-29.4000112.3T137 F161 L165 F166 A172 S173T137-W169 VanDerWaalsContact OG1-CD1 3.26Å; T137-W169 PolarHBondContact OG1-NE1 2.98Å; F161-W169 HydrophobicContact CD1-CH2 4.41Å; F161-W169 HydrophobicContact CE1-CH2 4.28Å; L165-W169 HydrophobicContact CD2-CZ2 4.06Å; L165-W169 PolarHBondContact O-N 3.03Å; F166-W169 AromaticContact CD1-CE3 3.88Å; F166-W169 HydrophobicContact CD1-CE3 3.88Å; F166-W169 AromaticContact CD1-CZ3 3.74Å; F166-W169 HydrophobicContact CD1-CZ3 3.74Å; F166-W169 HydrophobicContact CE1-CE3 4.34Å; F166-W169 AromaticContact CE1-CZ3 3.74Å; F166-W169 HydrophobicContact CE1-CZ3 3.74Å; F166-W169 PolarHBondContact O-N 2.9Å; W169-A172 PolarHBondContact O-N 3.37Å; W169-S173 WeakPolarHBondContact O-CB 3.38Å; W169-S173 PolarHBondContact O-N 3.04Å; W169-S173 PolarHBondContact O-OG 2.87Å; W169-S173 VanDerWaalsContact O-OG 3.1Å
170A97.7Very high95.7Very high48 Ų4842.4 Ų42.440%0.39722%0.222SC..Hα-helixtrans-62-45.3173.200000110.8F166 T167 S173 L174F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.5Å; T167-A170 PolarHBondContact O-N 3.28Å; A170-S173 PolarHBondContact O-N 2.82Å; A170-S173 PolarHBondContact O-OG 3.11Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.5Å; A170-L174 PolarHBondContact O-N 3.48Å
171A97.4Very high95.8Very high2 Ų239.7 Ų39.72%0.01721%0.211CC..Hα-helixtrans-59.4-49.1176.200000112.4G17 G20 A21 T167 G168 S173 L174 C175G17-A171 WeakPolarHBondContact CA-O 3.32Å; G17-A171 VanDerWaalsContact O-CB 3.31Å; G17-A171 WeakPolarHBondContact O-CB 3.32Å; G20-A171 VanDerWaalsContact C-CB 3.49Å; A21-A171 HydrophobicContact CB-CB 4.2Å; T167-A171 WeakPolarHBondContact O-CB 3.11Å; T167-A171 PolarHBondContact O-N 3.01Å; G168-A171 WeakPolarHBondContact O-CB 3.39Å; G168-A171 PolarHBondContact O-N 3.46Å; A171-S173 PolarHBondContact O-N 3.39Å; A171-L174 PolarHBondContact O-N 2.92Å; A171-C175 PolarHBondContact O-N 2.56Å
172A97.7Very high95.7Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-60.6-44.7178.200000112I133 L134 G168 W169 C175 L176I133-A172 HydrophobicContact CB-CB 4.32Å; I133-A172 HydrophobicContact CG2-CB 4.01Å; L134-A172 HydrophobicContact CB-CB 3.94Å; L134-A172 HydrophobicContact CD1-CB 4.24Å; G168-A172 WeakPolarHBondContact O-CB 3.29Å; G168-A172 PolarHBondContact O-N 3.13Å; W169-A172 PolarHBondContact O-N 3.37Å; A172-C175 PolarHBondContact O-N 3.45Å; A172-L176 WeakPolarHBondContact O-CB 3.49Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.05Å
173S97.8Very high95.6Very high53 Ų5337.4 Ų37.437%0.37120%0.204SC..Hα-helixtrans-64.9-41.3178.862.20000112.1W169 A170 A171 L176 L177W169-S173 WeakPolarHBondContact O-CB 3.38Å; W169-S173 PolarHBondContact O-N 3.04Å; W169-S173 PolarHBondContact O-OG 2.87Å; W169-S173 VanDerWaalsContact O-OG 3.1Å; A170-S173 PolarHBondContact O-N 2.82Å; A170-S173 PolarHBondContact O-OG 3.11Å; A171-S173 PolarHBondContact O-N 3.39Å; S173-L176 PolarHBondContact O-N 3.11Å; S173-L177 WeakPolarHBondContact O-CB 3.47Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.5Å; S173-L177 PolarHBondContact O-N 3.47Å
174L97.6Very high95.2Very high56 Ų5636 Ų3629%0.29321%0.207SC..Hα-helixtrans-63.2-43.2174.2-71.8173.3000112.4L13 A170 A171 G178L13-L174 HydrophobicContact CD2-CD2 3.75Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.5Å; A170-L174 PolarHBondContact O-N 3.48Å; A171-L174 PolarHBondContact O-N 2.92Å; L174-G178 PolarHBondContact O-N 2.63Å
175C97.3Very high94.2Very high1 Ų136.1 Ų36.11%0.00721%0.207CC..Hα-helixtrans-62.1-43.5174-77.20000112.2W18 A171 A172 G179W18-C175 PolarHBondContact N-SG 2.61Å; W18-C175 VanDerWaalsContact N-SG 3.37Å; A171-C175 PolarHBondContact O-N 2.56Å; A172-C175 PolarHBondContact O-N 3.45Å; C175-G179 PolarHBondContact O-N 3.11Å
176L97.8Very high92.7Very high47 Ų4739.3 Ų39.325%0.24623%0.229CC..Hα-helixtrans-66.3-46179.7-73.2171.4000111.7L127 L131 L134 A172 S173 A180L127-L176 HydrophobicContact CD2-CD2 3.93Å; L127-L176 WeakPolarHBondContact CD2-O 3.4Å; L127-L176 WeakPolarHBondContact O-CD2 3.45Å; L131-L176 HydrophobicContact CB-CD2 4.41Å; L134-L176 HydrophobicContact CD2-CD1 4.1Å; A172-L176 WeakPolarHBondContact O-CB 3.49Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.05Å; S173-L176 PolarHBondContact O-N 3.11Å; L176-A180 VanDerWaalsContact O-CB 3.28Å; L176-A180 WeakPolarHBondContact O-CB 3.16Å; L176-A180 PolarHBondContact O-N 3.36Å
177L97Very high90.8Very high104 Ų10438 Ų3855%0.54523%0.231SC..Hα-helixtrans-64.3-47177-70.8171.1000111.1S173 G179 A180 L181S173-L177 WeakPolarHBondContact O-CB 3.47Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.5Å; S173-L177 PolarHBondContact O-N 3.47Å; L177-G179 PolarHBondContact O-N 3.06Å; L177-A180 PolarHBondContact O-N 3.46Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.45Å; L177-L181 PolarHBondContact O-N 3.19Å
178G95.4Very high88.6Confident0 Ų046.8 Ų46.80%026%0.259CS..Hα-helixtrans-60.7-45.2177.400000112.6G10 L174 L181 L182G10-G178 CarbonylContact O-C 3.59Å; G10-G178 WeakPolarHBondContact O-CA 3.42Å; L174-G178 PolarHBondContact O-N 2.63Å; G178-L181 PolarHBondContact O-N 2.83Å; G178-L182 WeakPolarHBondContact O-CG 3.21Å; G178-L182 PolarHBondContact O-N 2.86Å
179G95.2Very high86.3Confident0 Ų056.1 Ų56.10%030%0.299CS..Hα-helixtrans-61.6-43.3174.500000112.9G123 C175 L177 L181 L182 C183G123-G179 WeakPolarHBondContact O-CA 3.31Å; C175-G179 PolarHBondContact O-N 3.11Å; L177-G179 PolarHBondContact O-N 3.06Å; G179-L181 PolarHBondContact O-N 2.91Å; G179-L182 PolarHBondContact O-N 3.41Å; G179-C183 PolarHBondContact O-N 3.22Å; G179-C183 PolarHBondContact O-SG 2.94Å
180A94.8Very high83.6Confident38 Ų3858.2 Ų58.231%0.31432%0.321SS..Hα-helixtrans-62.5-42.9176.600000112.1L127 L176 L177 L182 C183 C184L127-A180 HydrophobicContact CD2-CB 4.3Å; L176-A180 VanDerWaalsContact O-CB 3.28Å; L176-A180 WeakPolarHBondContact O-CB 3.16Å; L176-A180 PolarHBondContact O-N 3.36Å; L177-A180 PolarHBondContact O-N 3.46Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.31Å; A180-C183 PolarHBondContact O-N 3.14Å; A180-C184 WeakPolarHBondContact O-CB 3.36Å; A180-C184 PolarHBondContact O-N 3.13Å; A180-C184 PolarHBondContact O-SG 3.43Å
181L93Very high80.9Confident45 Ų4561.6 Ų61.624%0.23634%0.337CS..Hα-helixtrans-63.8-38.3176.8-69175.8000112.4L6 L9 L13 L177 G178 G179 C184 S185L6-L181 HydrophobicContact CD1-CD2 3.84Å; L6-L181 HydrophobicContact CG-CD2 4.41Å; L9-L181 HydrophobicContact CD2-CD1 4.39Å; L9-L181 HydrophobicContact CG-CD1 4.45Å; L13-L181 HydrophobicContact CD1-CD1 3.74Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.45Å; L177-L181 PolarHBondContact O-N 3.19Å; G178-L181 PolarHBondContact O-N 2.83Å; G179-L181 PolarHBondContact O-N 2.91Å; L181-C184 PolarHBondContact O-N 2.77Å; L181-S185 PolarHBondContact O-N 3.46Å; L181-S185 PolarHBondContact O-OG 3.11Å
182L90.4Very high78.3Confident1 Ų166.2 Ų66.21%0.00537%0.37CS..Hα-helixtrans-64.6-42.3173.2-71.7171.9000111.6Q7 F11 A98 F126 G178 G179 A180 S185Q7-L182 HydrophobicContact CG-CD2 3.81Å; Q7-L182 WeakPolarHBondContact O-CD2 3.34Å; F11-L182 HydrophobicContact CB-CD2 4.47Å; A98-L182 HydrophobicContact CB-CD1 4.41Å; F126-L182 HydrophobicContact CD2-CD1 4Å; F126-L182 HydrophobicContact CE2-CD1 4.35Å; G178-L182 WeakPolarHBondContact O-CG 3.21Å; G178-L182 PolarHBondContact O-N 2.86Å; G179-L182 PolarHBondContact O-N 3.41Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.31Å; L182-S185 WeakPolarHBondContact O-CB 3.25Å; L182-S185 PolarHBondContact O-N 3.3Å
183C89.8Confident75.9Confident26 Ų2675.8 Ų75.818%0.17641%0.407CS..Hα-helixtrans-64.8-41175.3-69.10000112.7G123 V124 G179 A180 S185 C186G123-C183 VanDerWaalsContact C-SG 3.54Å; V124-C183 PolarHBondContact N-SG 2.49Å; G179-C183 PolarHBondContact O-N 3.22Å; G179-C183 PolarHBondContact O-SG 2.94Å; A180-C183 PolarHBondContact O-N 3.14Å; C183-S185 PolarHBondContact O-N 2.88Å; C183-S185 VanDerWaalsContact O-N 3.16Å; C183-C186 PolarHBondContact O-N 2.98Å; C183-C186 PolarHBondContact O-SG 3.36Å
184C84.6Confident73.7Confident95 Ų9578.6 Ų78.664%0.64242%0.424SS*.THydrogen-bonded Turntrans-68-10.1178.7-71.20000113.7A180 L181 C186A180-C184 WeakPolarHBondContact O-CB 3.36Å; A180-C184 PolarHBondContact O-N 3.13Å; A180-C184 PolarHBondContact O-SG 3.43Å; L181-C184 PolarHBondContact O-N 2.77Å; C184-C186 PolarHBondContact O-N 3.2Å
185S73.2Confident71.8Confident1 Ų181.8 Ų81.81%0.00745%0.446CS..THydrogen-bonded Turntrans-75.35.1175.9-61.50000113.6A2 L181 L182 C183A2-S185 WeakPolarHBondContact CB-O 3.36Å; L181-S185 PolarHBondContact O-N 3.46Å; L181-S185 PolarHBondContact O-OG 3.11Å; L182-S185 WeakPolarHBondContact O-CB 3.25Å; L182-S185 PolarHBondContact O-N 3.3Å; C183-S185 PolarHBondContact O-N 2.88Å; C183-S185 VanDerWaalsContact O-N 3.16Å
186C63.7Low70.1Confident68 Ų6887.7 Ų87.746%0.45948%0.484SS..PPolyproline II helixtrans-55.3132.7173.9-74.10000111.8V120 C183 C184 R188V120-C186 WeakPolarHBondContact CG2-SG 3.28Å; C183-C186 PolarHBondContact O-N 2.98Å; C183-C186 PolarHBondContact O-SG 3.36Å; C184-C186 PolarHBondContact O-N 3.2Å; C186-R188 PolarHBondContact O-N 3.33Å; C186-R188 VanDerWaalsContact O-N 3.09Å
187P56Low68.7Low81 Ų8196.4 Ų96.453%0.52651%0.514SS..PPolyproline II helixtrans-60.9118.8162.224.8-29000107.6K189P187-K189 PolarHBondContact O-N 3.49Å
188R50.6Low67.3Low235 Ų23597.4 Ų97.489%0.88753%0.527SS*.PPolyproline II helixtrans-50.4117.4167.8-145.8175-172.4169.31.1105.4C186 T190C186-R188 PolarHBondContact O-N 3.33Å; C186-R188 VanDerWaalsContact O-N 3.09Å; R188-T190 PolarHBondContact O-N 3.34Å
189K47.3Very low66.1Low196 Ų196107.8 Ų107.885%0.85257%0.567SS**  trans-56.2102.9164.2-84-177.7176.7179.30104.4P187 T191P187-K189 PolarHBondContact O-N 3.49Å; K189-T191 PolarHBondContact O-N 3.15Å
190T41.4Very low64.6Low125 Ų125113.5 Ų113.577%0.76760%0.604SS**  trans-57.8105.2154.928.30000103.3R188 S192R188-T190 PolarHBondContact O-N 3.34Å; T190-S192 PolarHBondContact O-N 2.95Å
191T41.4Very low63.5Low119 Ų119121 Ų12173%0.7363%0.63SS**  trans-56.483.5152.734.50000104.9K189 Y193K189-T191 PolarHBondContact O-N 3.15Å; T191-Y193 PolarHBondContact O-N 2.86Å
192S42.3Very low62.2Low100 Ų100124.8 Ų124.870%0.69966%0.657SS**  trans-65.394.3164.2-1610000103T190T190-S192 PolarHBondContact O-N 2.95Å
193Y47.7Very low61.2Low200 Ų200129 Ų12978%0.78469%0.693SS**PPolyproline II helixtrans-47127.4155.1-83.1-91.4000105.4T191 T195T191-Y193 PolarHBondContact O-N 2.86Å; Y193-T195 PolarHBondContact O-N 2.64Å
194P50.7Low60Low113 Ų113133.8 Ų133.873%0.73472%0.723SS**PPolyproline II helixtrans-53.6124.8173.620.1-28.8000106.7
195T58.7Low58.8Low123 Ų123134.9 Ų134.976%0.75573%0.732SS**PPolyproline II helixtrans-49.8127.9172.223.30000107.5Y193 R197Y193-T195 PolarHBondContact O-N 2.64Å; T195-R197 PolarHBondContact O-N 2.98Å
196P61.7Low58.2Low124 Ų124140.2 Ų140.281%0.80577%0.769SS**PPolyproline II helixtrans-52.1121.2175.6-24.632.5000108.2
197R67.4Low57.8Low231 Ų231139.9 Ų139.987%0.87278%0.777SS**PPolyproline II helixtrans-55.1129.8177-67.1-174.7-168.8-175.33.7107.4T195 Y199T195-R197 PolarHBondContact O-N 2.98Å; R197-Y199 PolarHBondContact O-N 3.08Å
198P68.4Low57.6Low125 Ų125144.6 Ų144.681%0.81279%0.789SS**PPolyproline II helixtrans-55.1126.4172.5-21.931.2000109
199Y69.5Low57.8Low218 Ų218141.3 Ų141.386%0.85579%0.789SS**PPolyproline II helixtrans-56.8133.5171.5-83.4-95.2000108.8R197 K201R197-Y199 PolarHBondContact O-N 3.08Å; Y199-K201 PolarHBondContact O-N 3.09Å; Y199-K201 VanDerWaalsContact O-N 3.15Å
200P64.9Low58.1Low119 Ų119142.1 Ų142.177%0.77379%0.788SS**PPolyproline II helixtrans-60.1122.117519.5-25.7000108.9
201K70.1Confident58.4Low195 Ų195146.5 Ų146.585%0.84882%0.815SS**PPolyproline II helixtrans-61.9130.7171.8-72.3-177.6177.8-179.90108.1Y199 A203Y199-K201 PolarHBondContact O-N 3.09Å; Y199-K201 VanDerWaalsContact O-N 3.15Å; K201-A203 PolarHBondContact O-N 3.47Å
202P66.3Low59.2Low126 Ų126147.9 Ų147.982%0.81882%0.819SS**PPolyproline II helixtrans-57.1130.2172.7-20.730.8000109.8
203A69.8Low60.1Low90 Ų90150.4 Ų150.474%0.74483%0.825SS**PPolyproline II helixtrans-65.4139.5172.600000109.5K201 S205K201-A203 PolarHBondContact O-N 3.47Å; A203-S205 PolarHBondContact O-N 3.49Å
204P63.8Low60.8Low126 Ų126147.6 Ų147.682%0.81883%0.827SS**PPolyproline II helixtrans-63.7131.6174.824.4-30.4000109.7S206P204-S206 PolarHBondContact O-N 3.05Å; P204-S206 VanDerWaalsContact O-N 3.11Å
205S60.4Low61.4Low118 Ų118149.6 Ų149.683%0.82583%0.833SS**  trans-59.9114.5176.155.60000109.4A203 G207A203-S205 PolarHBondContact O-N 3.49Å; S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.44Å
206S59.9Low61.6Low112 Ų112151.3 Ų151.378%0.78384%0.838SS**  trans-65.197.2165.11780000107.1P204 K208P204-S206 PolarHBondContact O-N 3.05Å; P204-S206 VanDerWaalsContact O-N 3.11Å; S206-K208 PolarHBondContact O-N 3.17Å
207G55.5Low61.6Low61 Ų61153.1 Ų153.163%0.62984%0.84SS**  trans-61.7113.1167.800000107.4S205 D209S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.44Å; G207-D209 PolarHBondContact O-N 3.21Å
208K51.8Low61.2Low180 Ų180147.6 Ų147.678%0.78384%0.838SS**  trans-76.9108.8166.3-75.6-179.6175.5176.80106.6S206 Y210S206-K208 PolarHBondContact O-N 3.17Å; K208-Y210 WeakPolarHBondContact O-CD1 3.4Å; K208-Y210 PolarHBondContact O-N 2.89Å
209D53.9Low60.6Low167 Ų167149.3 Ų149.389%0.89384%0.84SS**  trans-58.9116.9160.4-65.6-42.2000107.8G207G207-D209 PolarHBondContact O-N 3.21Å
210Y53.8Low59.9Low212 Ų212143.6 Ų143.683%0.83184%0.838SS**  trans-100.9133.7162.741.5-93.3000108K208K208-Y210 WeakPolarHBondContact O-CD1 3.4Å; K208-Y210 PolarHBondContact O-N 2.89Å
211V48.3Very low59.4Low217 Ų217145.8 Ų145.8100%1.31584%0.844SS**  trans-48.80-174.6-170.40000113.5

Retrieved 211 of 211 residues in 463.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).