A0A5K4F4Y2_SCHMA Loading...

25 kDa integral membrane protein

AlphaFold DB , UniProt , Accession A0A5K4F4Y2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 aa.

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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
1M47.7Very low58.2Low60 Ų6099.6 Ų99.630%0.29652%0.523SS..  0840175.116316700101.8L3 N80 I213 S216M1-L3 HydrophobicContact CE-CD1 3.82Å; M1-L3 PolarHBondContact O-N 2.89Å; M1-N80 WeakPolarHBondContact CA-OD1 3.35Å; M1-N80 WeakPolarHBondContact CB-OD1 3.34Å; M1-N80 VanDerWaalsContact N-CG 3.34Å; M1-N80 PolarHBondContact N-ND2 3.29Å; M1-N80 PolarHBondContact N-OD1 3.07Å; M1-I213 HydrophobicContact CE-CG1 4.5Å; M1-S216 WeakPolarHBondContact CE-OG 3.43Å
2N37.3Very low60.5Low113 Ų113102.8 Ų102.860%0.60453%0.529SS*.  trans-59.2118.3170.6-56.6-5.8000102.8P4N2-P4 HydrophobicContact CB-CG 4.37Å; N2-P4 WeakPolarHBondContact O-CD 3.45Å
3L51.5Low62.6Low92 Ų92100.2 Ų100.248%0.48252%0.516SS..  trans-99.952.4174.1-159.586.3000108.7M1M1-L3 HydrophobicContact CE-CD1 3.82Å; M1-L3 PolarHBondContact O-N 2.89Å
4P43.6Very low64.5Low91 Ų9195.4 Ų95.459%0.59149%0.49SS*.  trans-75.2146.7167.536.7-31.6000106.9N2N2-P4 HydrophobicContact CB-CG 4.37Å; N2-P4 WeakPolarHBondContact O-CD 3.45Å
5I44.9Very low66.2Low165 Ų16592.9 Ų92.985%0.84648%0.481SS*.SBendtrans100-16.4170.5-46.1156.4000116.2
6L53.5Low67.9Low102 Ų10295 Ų9553%0.53449%0.485SS..SBendtrans-132.450165.9-154.485.6000111.7S10 M212L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-OG 2.98Å; L6-M212 HydrophobicContact CD2-CE 3.08Å
7G61.4Low69.3Low37 Ų3792.2 Ų92.238%0.38147%0.469SS..  cis116.564.938.800000108.2H9G7-H9 PolarHBondContact O-N 3.32Å
8R66.8Low70.7Confident194 Ų19487.1 Ų87.173%0.73244%0.443SS*.SBendtrans61-44.6-177.2-172.6176.2-105.1169-4.3117.1K12R8-K12 WeakPolarHBondContact O-CG 3.16Å; R8-K12 PolarHBondContact O-N 3.31Å; R8-K12 VanDerWaalsContact O-N 3.14Å
9H72.6Confident71.9Confident151 Ų15185.7 Ų85.770%0.69944%0.441SS*.Hα-helixtrans-66.5-48.5-179.9-71.4-81.8000112.2G7 T11 K12 L13G7-H9 PolarHBondContact O-N 3.32Å; H9-T11 VanDerWaalsContact C-N 3.29Å; H9-T11 PolarHBondContact O-N 3.36Å; H9-K12 PolarHBondContact O-N 3.44Å; H9-L13 WeakPolarHBondContact O-CB 3.47Å; H9-L13 PolarHBondContact O-N 2.99Å
10S78.2Confident73.1Confident32 Ų3283.9 Ų83.922%0.22443%0.432CS..Hα-helixtrans-61.4-37.3178.4-47.20000112.3L6 L13 F14L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-OG 2.98Å; S10-L13 PolarHBondContact O-N 3.48Å; S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 2.99Å
11T83.1Confident74.1Confident59 Ų5979.9 Ų79.936%0.36241%0.411SS..Hα-helixtrans-66.7-45.1176.9-46.70000111.6H9 L13 F14 V15 I75H9-T11 VanDerWaalsContact C-N 3.29Å; H9-T11 PolarHBondContact O-N 3.36Å; T11-L13 VanDerWaalsContact C-N 3.3Å; T11-L13 PolarHBondContact O-N 3.43Å; T11-F14 PolarHBondContact O-N 3.37Å; T11-V15 WeakPolarHBondContact O-CG2 3.39Å; T11-V15 PolarHBondContact O-N 3.34Å; T11-I75 HydrophobicContact CG2-CD1 4.38Å; T11-I75 HydrophobicContact CG2-CG2 4.19Å
12K86.1Confident76.5Confident137 Ų13779.2 Ų79.260%0.59641%0.408SS*.Hα-helixtrans-59.5-43.1175.3-73.4177.6177.8-174.70111.3R8 H9 V15 F16R8-K12 WeakPolarHBondContact O-CG 3.16Å; R8-K12 PolarHBondContact O-N 3.31Å; R8-K12 VanDerWaalsContact O-N 3.14Å; H9-K12 PolarHBondContact O-N 3.44Å; K12-V15 PolarHBondContact O-N 3.43Å; K12-F16 WeakPolarHBondContact O-CB 3.15Å; K12-F16 PolarHBondContact O-N 3.3Å
13L87.5Confident79.3Confident70 Ų7077.5 Ų77.537%0.36640%0.402SS..Hα-helixtrans-62.5-44.9176.8-173.264.7000111.6H9 S10 T11 F16 F17 F208H9-L13 WeakPolarHBondContact O-CB 3.47Å; H9-L13 PolarHBondContact O-N 2.99Å; S10-L13 PolarHBondContact O-N 3.48Å; T11-L13 VanDerWaalsContact C-N 3.3Å; T11-L13 PolarHBondContact O-N 3.43Å; L13-F16 WeakPolarHBondContact O-CB 3.5Å; L13-F16 PolarHBondContact O-N 3.03Å; L13-F17 HydrophobicContact CD1-CD2 3.97Å; L13-F17 HydrophobicContact CD1-CE2 3.54Å; L13-F17 HydrophobicContact CD2-CE2 4.36Å; L13-F17 HydrophobicContact CG-CD2 3.92Å; L13-F17 HydrophobicContact CG-CE2 3.76Å; L13-F17 VanDerWaalsContact O-CD2 3.28Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 2.99Å; L13-F208 HydrophobicContact CD2-CE1 4.09Å; L13-F208 HydrophobicContact CD2-CZ 4.42Å
14F88.7Confident81.4Confident33 Ų3375.3 Ų75.315%0.14539%0.389CS..Hα-helixtrans-59.4-48.6176.4-176.5-77.5000111.6S10 T11 F16 F17 N18 G71 I75 M83 Y86 Y205S10-F14 WeakPolarHBondContact O-CB 3.3Å; S10-F14 PolarHBondContact O-N 2.99Å; T11-F14 PolarHBondContact O-N 3.37Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.22Å; F14-F17 PolarHBondContact O-N 3.42Å; F14-N18 WeakPolarHBondContact CD1-ND2 3.33Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.43Å; F14-N18 PolarHBondContact O-N 3.02Å; F14-N18 PolarHBondContact O-ND2 2.8Å; F14-G71 WeakPolarHBondContact CE1-O 3.39Å; F14-I75 HydrophobicContact CD1-CD1 3.17Å; F14-I75 HydrophobicContact CD1-CG1 3.87Å; F14-I75 HydrophobicContact CE1-CD1 3.47Å; F14-I75 VanDerWaalsContact CE1-CD1 3.47Å; F14-I75 HydrophobicContact CE1-CG1 3.78Å; F14-I75 HydrophobicContact CG-CD1 4.12Å; F14-M83 HydrophobicContact CZ-SD 4.24Å; F14-Y86 HydrophobicContact CE2-CD1 4.09Å; F14-Y86 AromaticContact CE2-CE1 3.51Å; F14-Y86 HydrophobicContact CE2-CE1 3.51Å; F14-Y86 AromaticContact CZ-CD1 3.92Å; F14-Y86 HydrophobicContact CZ-CD1 3.92Å; F14-Y86 AromaticContact CZ-CE1 3.53Å; F14-Y86 HydrophobicContact CZ-CE1 3.53Å; F14-Y86 AromaticContact CZ-CZ 3.93Å; F14-Y205 WeakPolarHBondContact CD2-OH 3.33Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.24Å
15V90.8Very high84Confident58 Ų5871 Ų7135%0.35236%0.361SS..Hα-helixtrans-61.2-43.2178.1173.10000110.6T11 K12 F17 N18 C19 I75T11-V15 WeakPolarHBondContact O-CG2 3.39Å; T11-V15 PolarHBondContact O-N 3.34Å; K12-V15 PolarHBondContact O-N 3.43Å; V15-F17 PolarHBondContact O-N 3.14Å; V15-N18 PolarHBondContact O-N 3.25Å; V15-C19 PolarHBondContact O-N 3.28Å; V15-C19 PolarHBondContact O-SG 2.96Å; V15-I75 HydrophobicContact CG2-CD1 3.65Å
16F92.1Very high86.6Confident126 Ų12667.7 Ų67.755%0.55334%0.344SS*.Hα-helixtrans-56.7-48.9176.2173.2-99.2000112.3K12 L13 F14 N18 C19 L20K12-F16 WeakPolarHBondContact O-CB 3.15Å; K12-F16 PolarHBondContact O-N 3.3Å; L13-F16 WeakPolarHBondContact O-CB 3.5Å; L13-F16 PolarHBondContact O-N 3.03Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.22Å; F16-N18 PolarHBondContact O-N 3.09Å; F16-C19 PolarHBondContact O-N 3.44Å; F16-L20 WeakPolarHBondContact O-CB 2.97Å; F16-L20 PolarHBondContact O-N 3.31Å
17F92.6Very high88.7Confident48 Ų4865.6 Ų65.621%0.21133%0.333CS..Hα-helixtrans-64.5-38177-83.2-71.2000112.8L13 F14 V15 C19 L20 F21 Y205L13-F17 HydrophobicContact CD1-CD2 3.97Å; L13-F17 HydrophobicContact CD1-CE2 3.54Å; L13-F17 HydrophobicContact CD2-CE2 4.36Å; L13-F17 HydrophobicContact CG-CD2 3.92Å; L13-F17 HydrophobicContact CG-CE2 3.76Å; L13-F17 VanDerWaalsContact O-CD2 3.28Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 2.99Å; F14-F17 PolarHBondContact O-N 3.42Å; V15-F17 PolarHBondContact O-N 3.14Å; F17-C19 PolarHBondContact O-N 3.28Å; F17-L20 HydrophobicContact CD1-CD2 4.04Å; F17-L20 HydrophobicContact CE1-CD2 4.34Å; F17-L20 CarbonylContact O-C 3.57Å; F17-L20 VanDerWaalsContact O-CB 3.31Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.34Å; F17-F21 HydrophobicContact CB-CE1 4.46Å; F17-F21 HydrophobicContact CB-CE2 4.27Å; F17-F21 HydrophobicContact CB-CZ 4.08Å; F17-F21 HydrophobicContact CD1-CE1 4.13Å; F17-F21 HydrophobicContact CD1-CZ 4.17Å; F17-F21 VanDerWaalsContact O-CD1 3.24Å; F17-F21 WeakPolarHBondContact O-CD1 3.26Å; F17-F21 WeakPolarHBondContact O-CD2 3.46Å; F17-F21 WeakPolarHBondContact O-CG 3.31Å; F17-F21 PolarHBondContact O-N 3.31Å; F17-Y205 HydrophobicContact CB-CD2 3.82Å; F17-Y205 HydrophobicContact CB-CE2 3.65Å; F17-Y205 AromaticContact CD1-CD2 4Å; F17-Y205 HydrophobicContact CD1-CD2 4Å; F17-Y205 AromaticContact CD2-CD2 3.64Å; F17-Y205 HydrophobicContact CD2-CD2 3.64Å; F17-Y205 AromaticContact CD2-CE2 3.79Å; F17-Y205 HydrophobicContact CD2-CE2 3.79Å; F17-Y205 HydrophobicContact CE1-CD2 4.49Å; F17-Y205 HydrophobicContact CE2-CD2 4.16Å; F17-Y205 AromaticContact CG-CD2 3.55Å; F17-Y205 HydrophobicContact CG-CD2 3.55Å; F17-Y205 AromaticContact CG-CE2 3.81Å; F17-Y205 HydrophobicContact CG-CE2 3.81Å
18N93.9Very high90.4Very high0 Ų064 Ų640%032%0.315CS..Hα-helixtrans-64.7-41.2175.8-80-96.7000111.7F14 V15 F16 L20 F21 I22 A68 I72 Y86F14-N18 WeakPolarHBondContact CD1-ND2 3.33Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.43Å; F14-N18 PolarHBondContact O-N 3.02Å; F14-N18 PolarHBondContact O-ND2 2.8Å; V15-N18 PolarHBondContact O-N 3.25Å; F16-N18 PolarHBondContact O-N 3.09Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 3.29Å; N18-F21 PolarHBondContact O-N 3.16Å; N18-I22 WeakPolarHBondContact O-CG1 3.41Å; N18-I22 PolarHBondContact O-N 3.46Å; N18-A68 HydrophobicContact CB-CB 4.32Å; N18-A68 VanDerWaalsContact OD1-CA 3.3Å; N18-A68 WeakPolarHBondContact OD1-CA 3.39Å; N18-A68 PolarHBondContact OD1-O 2.99Å; N18-I72 HydrophobicContact CB-CD1 4.47Å; N18-I72 HydrophobicContact CB-CG1 4.16Å; N18-Y86 PolarHBondContact ND2-OH 3.36Å; N18-Y86 WeakPolarHBondContact OD1-CE2 3.41Å
19C94.6Very high91.9Very high61 Ų6156.1 Ų56.141%0.41229%0.288SS..Hα-helixtrans-61.2-40172-66.90000111.9V15 F16 F17 I22 T23V15-C19 PolarHBondContact O-N 3.28Å; V15-C19 PolarHBondContact O-SG 2.96Å; F16-C19 PolarHBondContact O-N 3.44Å; F17-C19 PolarHBondContact O-N 3.28Å; C19-I22 PolarHBondContact O-N 3.06Å; C19-T23 PolarHBondContact O-N 3.05Å; C19-T23 PolarHBondContact O-OG1 2.99Å
20L94.5Very high93.2Very high49 Ų4951.4 Ų51.426%0.25727%0.274SS..Hα-helixtrans-62-43.9175.1-169.177.1000111.1F16 F17 N18 T23 F24 I201F16-L20 WeakPolarHBondContact O-CB 2.97Å; F16-L20 PolarHBondContact O-N 3.31Å; F17-L20 HydrophobicContact CD1-CD2 4.04Å; F17-L20 HydrophobicContact CE1-CD2 4.34Å; F17-L20 CarbonylContact O-C 3.57Å; F17-L20 VanDerWaalsContact O-CB 3.31Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.34Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 3.29Å; L20-T23 WeakPolarHBondContact O-CB 3.38Å; L20-T23 PolarHBondContact O-N 2.99Å; L20-F24 HydrophobicContact CD1-CD2 4.24Å; L20-F24 HydrophobicContact CD1-CE2 3.67Å; L20-F24 HydrophobicContact CD1-CZ 4.45Å; L20-F24 HydrophobicContact CD2-CD2 4.31Å; L20-F24 HydrophobicContact CD2-CE2 3.8Å; L20-F24 HydrophobicContact CG-CD2 3.71Å; L20-F24 HydrophobicContact CG-CE2 3.45Å; L20-F24 VanDerWaalsContact CG-CE2 3.45Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.38Å; L20-F24 PolarHBondContact O-N 3Å; L20-I201 HydrophobicContact CD2-CG2 4.44Å
21F95.9Very high94.1Very high0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-66.4-38178.8-60.9-16000112.5F17 N18 T23 G25 A68 L90 F198 I201 H202 Y205F17-F21 HydrophobicContact CB-CE1 4.46Å; F17-F21 HydrophobicContact CB-CE2 4.27Å; F17-F21 HydrophobicContact CB-CZ 4.08Å; F17-F21 HydrophobicContact CD1-CE1 4.13Å; F17-F21 HydrophobicContact CD1-CZ 4.17Å; F17-F21 VanDerWaalsContact O-CD1 3.24Å; F17-F21 WeakPolarHBondContact O-CD1 3.26Å; F17-F21 WeakPolarHBondContact O-CD2 3.46Å; F17-F21 WeakPolarHBondContact O-CG 3.31Å; F17-F21 PolarHBondContact O-N 3.31Å; N18-F21 PolarHBondContact O-N 3.16Å; F21-T23 VanDerWaalsContact C-N 3.32Å; F21-G25 PolarHBondContact O-N 3.27Å; F21-A68 HydrophobicContact CB-CB 4.3Å; F21-L90 HydrophobicContact CD2-CD1 4.01Å; F21-L90 HydrophobicContact CD2-CD2 4.48Å; F21-L90 HydrophobicContact CE2-CD1 4.08Å; F21-L90 HydrophobicContact CE2-CD2 3.8Å; F21-L90 HydrophobicContact CZ-CD2 4.48Å; F21-F198 HydrophobicContact CB-CE2 4.44Å; F21-F198 HydrophobicContact CB-CZ 4.24Å; F21-F198 AromaticContact CD1-CE2 3.66Å; F21-F198 HydrophobicContact CD1-CE2 3.66Å; F21-F198 HydrophobicContact CD1-CZ 4.27Å; F21-F198 HydrophobicContact CE1-CE2 4.3Å; F21-F198 HydrophobicContact CG-CE2 4.33Å; F21-I201 HydrophobicContact CE1-CG2 4.05Å; F21-H202 AromaticContact CD1-CD2 3.92Å; F21-H202 AromaticContact CD1-NE2 3.78Å; F21-H202 AromaticContact CE1-CD2 3.63Å; F21-H202 AromaticContact CG-NE2 3.81Å; F21-H202 AromaticContact CZ-CD2 3.69Å; F21-Y205 AromaticContact CE2-CD1 3.84Å; F21-Y205 HydrophobicContact CE2-CD1 3.84Å; F21-Y205 HydrophobicContact CE2-CE1 4.02Å; F21-Y205 HydrophobicContact CE2-CG 4.11Å; F21-Y205 AromaticContact CZ-CD1 3.82Å; F21-Y205 HydrophobicContact CZ-CD1 3.82Å; F21-Y205 HydrophobicContact CZ-CD2 4.12Å; F21-Y205 HydrophobicContact CZ-CE1 4.41Å; F21-Y205 AromaticContact CZ-CG 3.67Å; F21-Y205 HydrophobicContact CZ-CG 3.67Å
22I97.5Very high94.8Very high45 Ų4550.1 Ų50.123%0.23126%0.26CS..Hα-helixtrans-60.2-47.3171-67.8168.3000109.8N18 C19 G25 I26 A68 I72N18-I22 WeakPolarHBondContact O-CG1 3.41Å; N18-I22 PolarHBondContact O-N 3.46Å; C19-I22 PolarHBondContact O-N 3.06Å; I22-G25 PolarHBondContact O-N 2.93Å; I22-I26 HydrophobicContact CG2-CD1 3.95Å; I22-I26 WeakPolarHBondContact O-CG1 3.07Å; I22-I26 PolarHBondContact O-N 3.41Å; I22-A68 HydrophobicContact CD1-CB 4.06Å; I22-A68 HydrophobicContact CG1-CB 3.49Å; I22-A68 VanDerWaalsContact CG1-CB 3.49Å; I22-I72 HydrophobicContact CD1-CD1 4.21Å
23T96.5Very high95.4Very high77 Ų7747.8 Ų47.847%0.47225%0.252SS..Hα-helixtrans-61.4-48.3-178.6-53.70000111.2C19 L20 F21 I26 I27C19-T23 PolarHBondContact O-N 3.05Å; C19-T23 PolarHBondContact O-OG1 2.99Å; L20-T23 WeakPolarHBondContact O-CB 3.38Å; L20-T23 PolarHBondContact O-N 2.99Å; F21-T23 VanDerWaalsContact C-N 3.32Å; T23-I26 PolarHBondContact O-N 3.17Å; T23-I27 HydrophobicContact CG2-CD1 4.22Å; T23-I27 WeakPolarHBondContact O-CG1 3.19Å; T23-I27 PolarHBondContact O-N 3.15Å; T23-I27 VanDerWaalsContact O-N 3.1Å
24F95.6Very high95.9Very high46 Ų4648.9 Ų48.920%0.20225%0.254CS..Hα-helixtrans-64.3-41176.1-79.2-60.8000112.6L20 I26 I27 V28 F198 I201L20-F24 HydrophobicContact CD1-CD2 4.24Å; L20-F24 HydrophobicContact CD1-CE2 3.67Å; L20-F24 HydrophobicContact CD1-CZ 4.45Å; L20-F24 HydrophobicContact CD2-CD2 4.31Å; L20-F24 HydrophobicContact CD2-CE2 3.8Å; L20-F24 HydrophobicContact CG-CD2 3.71Å; L20-F24 HydrophobicContact CG-CE2 3.45Å; L20-F24 VanDerWaalsContact CG-CE2 3.45Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.38Å; L20-F24 PolarHBondContact O-N 3Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 2.72Å; F24-I27 HydrophobicContact CD1-CD1 4.44Å; F24-I27 PolarHBondContact O-N 2.73Å; F24-I27 VanDerWaalsContact O-N 3.13Å; F24-V28 WeakPolarHBondContact O-CG2 3.37Å; F24-V28 PolarHBondContact O-N 2.98Å; F24-F198 HydrophobicContact CB-CD1 4.09Å; F24-F198 HydrophobicContact CB-CD2 3.8Å; F24-F198 HydrophobicContact CB-CE1 3.88Å; F24-F198 HydrophobicContact CB-CE2 3.56Å; F24-F198 HydrophobicContact CB-CG 4.08Å; F24-F198 HydrophobicContact CB-CZ 3.6Å; F24-F198 AromaticContact CD2-CD2 3.93Å; F24-F198 HydrophobicContact CD2-CD2 3.93Å; F24-F198 AromaticContact CD2-CE2 3.91Å; F24-F198 HydrophobicContact CD2-CE2 3.91Å; F24-F198 AromaticContact CG-CD2 3.94Å; F24-F198 HydrophobicContact CG-CD2 3.94Å; F24-F198 HydrophobicContact CG-CE2 4.02Å; F24-F198 HydrophobicContact CG-CG 4.41Å; F24-I201 HydrophobicContact CE2-CD1 4.13Å; F24-I201 HydrophobicContact CZ-CD1 4.24Å
25G97.7Very high96.2Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-56.3-44.7175.100000112.2F21 I22 V28 I29F21-G25 PolarHBondContact O-N 3.27Å; I22-G25 PolarHBondContact O-N 2.93Å; G25-V28 PolarHBondContact O-N 3.09Å; G25-I29 WeakPolarHBondContact O-CB 3.45Å; G25-I29 WeakPolarHBondContact O-CD1 3.17Å; G25-I29 VanDerWaalsContact O-CG1 3.23Å; G25-I29 WeakPolarHBondContact O-CG1 3.28Å; G25-I29 PolarHBondContact O-N 3.37Å
26I98.4Very high96.5Very high97 Ų9746 Ų4650%0.49724%0.24SC..Hα-helixtrans-62.6-44.1175.6-66.5166.7000111.2I22 T23 F24 I29 A30 I65I22-I26 HydrophobicContact CG2-CD1 3.95Å; I22-I26 WeakPolarHBondContact O-CG1 3.07Å; I22-I26 PolarHBondContact O-N 3.41Å; T23-I26 PolarHBondContact O-N 3.17Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 2.72Å; I26-I29 PolarHBondContact O-N 3.47Å; I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 3.01Å; I26-I65 HydrophobicContact CG1-CD1 3.81Å
27I98.2Very high96.7Very high58 Ų5844.5 Ų44.530%0.29724%0.241SC..Hα-helixtrans-61.1-48.7178.5-67.9166.5000110.5T23 F24 I29 A30 F31 L194T23-I27 HydrophobicContact CG2-CD1 4.22Å; T23-I27 WeakPolarHBondContact O-CG1 3.19Å; T23-I27 PolarHBondContact O-N 3.15Å; T23-I27 VanDerWaalsContact O-N 3.1Å; F24-I27 HydrophobicContact CD1-CD1 4.44Å; F24-I27 PolarHBondContact O-N 2.73Å; F24-I27 VanDerWaalsContact O-N 3.13Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 3.47Å; I27-A30 PolarHBondContact O-N 3.31Å; I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 4.02Å; I27-F31 WeakPolarHBondContact O-CD2 2.94Å; I27-F31 PolarHBondContact O-N 3.11Å; I27-L194 HydrophobicContact CG2-CD1 4.21Å; I27-L194 HydrophobicContact CG2-CD2 4.43Å
28V97.8Very high96.9Very high2 Ų247 Ų471%0.01225%0.252CS..Hα-helixtrans-61.2-42.6179.5172.80000111F24 G25 F31 G32 A57 L191 F198F24-V28 WeakPolarHBondContact O-CG2 3.37Å; F24-V28 PolarHBondContact O-N 2.98Å; G25-V28 PolarHBondContact O-N 3.09Å; V28-F31 PolarHBondContact O-N 3.42Å; V28-G32 WeakPolarHBondContact O-CA 3.4Å; V28-G32 PolarHBondContact O-N 3.22Å; V28-A57 HydrophobicContact CG1-CB 3.95Å; V28-A57 WeakPolarHBondContact CG1-O 3.35Å; V28-L191 HydrophobicContact CG1-CD1 4.3Å; V28-F198 HydrophobicContact CG2-CD1 4.44Å
29I98.5Very high96.9Very high30 Ų3047.3 Ų47.315%0.15425%0.254CS..Hα-helixtrans-59.8-47.5174.2-71.5165.5000111G25 I26 I27 F31 G32 M33 T58 I65G25-I29 WeakPolarHBondContact O-CB 3.45Å; G25-I29 WeakPolarHBondContact O-CD1 3.17Å; G25-I29 VanDerWaalsContact O-CG1 3.23Å; G25-I29 WeakPolarHBondContact O-CG1 3.28Å; G25-I29 PolarHBondContact O-N 3.37Å; I26-I29 PolarHBondContact O-N 3.47Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 3.47Å; I29-F31 PolarHBondContact O-N 3.08Å; I29-G32 PolarHBondContact O-N 3.4Å; I29-M33 HydrophobicContact CG2-CE 3.52Å; I29-M33 HydrophobicContact CG2-SD 4.19Å; I29-M33 WeakPolarHBondContact O-CG 2.83Å; I29-M33 PolarHBondContact O-N 3.14Å; I29-T58 HydrophobicContact CG2-CG2 4.37Å; I29-I65 HydrophobicContact CD1-CD1 3.59Å
30A98.4Very high97Very high51 Ų5151.7 Ų51.742%0.42127%0.266SS..Hα-helixtrans-60.1-47.1-178.700000111.6I26 I27 K34I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 3.01Å; I27-A30 PolarHBondContact O-N 3.31Å; A30-K34 WeakPolarHBondContact O-CB 3.32Å; A30-K34 PolarHBondContact O-N 3.25Å; A30-K34 VanDerWaalsContact O-N 3.1Å
31F97.8Very high96.9Very high64 Ų6451.4 Ų51.428%0.28128%0.275SS..Hα-helixtrans-69.6-36.2176.5-82.3-85.8000112.8I27 V28 I29 M33 K34 I190 L191 L194I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 4.02Å; I27-F31 WeakPolarHBondContact O-CD2 2.94Å; I27-F31 PolarHBondContact O-N 3.11Å; V28-F31 PolarHBondContact O-N 3.42Å; I29-F31 PolarHBondContact O-N 3.08Å; F31-M33 VanDerWaalsContact C-N 3.31Å; F31-M33 PolarHBondContact O-N 3.4Å; F31-K34 PolarHBondContact O-N 3.43Å; F31-I190 HydrophobicContact CD1-CG2 3.79Å; F31-I190 HydrophobicContact CE1-CD1 4.45Å; F31-I190 HydrophobicContact CE1-CG2 3.78Å; F31-I190 HydrophobicContact CG-CG2 4.43Å; F31-I190 HydrophobicContact CZ-CG2 4.41Å; F31-L191 HydrophobicContact CB-CD1 4.2Å; F31-L194 HydrophobicContact CB-CD1 4.26Å; F31-L194 HydrophobicContact CD2-CD1 3.84Å; F31-L194 HydrophobicContact CE2-CD1 4.35Å; F31-L194 HydrophobicContact CG-CD1 4.01Å
32G98Very high96.9Very high0 Ų052.1 Ų52.10%028%0.277CS..Hα-helixtrans-61.4-36.6176.200000113V28 I29 P36V28-G32 WeakPolarHBondContact O-CA 3.4Å; V28-G32 PolarHBondContact O-N 3.22Å; I29-G32 PolarHBondContact O-N 3.4Å; G32-P36 WeakPolarHBondContact O-CD 3.25Å; G32-P36 VanDerWaalsContact O-CG 3.26Å; G32-P36 WeakPolarHBondContact O-CG 3.21Å
33M98Very high96.8Very high89 Ų8956.6 Ų56.644%0.43830%0.295SS..Hα-helixtrans-90-19.8179.3-63.6-169.4-54.900114.1I29 F31 L35 P36 T37 T58I29-M33 HydrophobicContact CG2-CE 3.52Å; I29-M33 HydrophobicContact CG2-SD 4.19Å; I29-M33 WeakPolarHBondContact O-CG 2.83Å; I29-M33 PolarHBondContact O-N 3.14Å; F31-M33 VanDerWaalsContact C-N 3.31Å; F31-M33 PolarHBondContact O-N 3.4Å; M33-L35 PolarHBondContact O-N 2.98Å; M33-P36 WeakPolarHBondContact O-CD 3.38Å; M33-T37 WeakPolarHBondContact O-CB 3.47Å; M33-T37 VanDerWaalsContact O-CG2 3.23Å; M33-T37 WeakPolarHBondContact O-CG2 3.34Å; M33-T37 PolarHBondContact O-N 2.89Å; M33-T37 PolarHBondContact O-OG1 3.4Å; M33-T58 HydrophobicContact CG-CG2 3.75Å; M33-T58 HydrophobicContact SD-CG2 4.13Å
34K98Very high96.7Very high93 Ų9358.8 Ų58.840%0.40430%0.295SS..Hα-helixtrans-64.1-41.1-172.2-173.4161.7175.6-171.90114.3A30 F31 T37 K38 Y187A30-K34 WeakPolarHBondContact O-CB 3.32Å; A30-K34 PolarHBondContact O-N 3.25Å; A30-K34 VanDerWaalsContact O-N 3.1Å; F31-K34 PolarHBondContact O-N 3.43Å; K34-T37 PolarHBondContact O-OG1 2.97Å; K34-K38 WeakPolarHBondContact O-CG 3.41Å; K34-K38 PolarHBondContact O-N 3.42Å; K34-Y187 HydrophobicContact CB-CE1 4.13Å; K34-Y187 HydrophobicContact CD-CE1 3.7Å; K34-Y187 VanDerWaalsContact CE-OH 3.27Å; K34-Y187 WeakPolarHBondContact CE-OH 3.34Å; K34-Y187 HydrophobicContact CG-CE1 3.68Å
35L96.8Very high96.8Very high0 Ų056.6 Ų56.60%029%0.285CS..Hα-helixtrans-74.2-49.5175.3-178.475.6000111.9M33 T37 K38 L39 F54 L183 V184 Y187M33-L35 PolarHBondContact O-N 2.98Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.01Å; L35-K38 WeakPolarHBondContact O-CB 3.06Å; L35-K38 PolarHBondContact O-N 3.4Å; L35-L39 HydrophobicContact CD1-CD1 4.07Å; L35-L39 HydrophobicContact CD1-CD2 4.49Å; L35-L39 HydrophobicContact CD1-CG 4.02Å; L35-L39 HydrophobicContact CD2-CD1 4.04Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.07Å; L35-L39 PolarHBondContact O-N 3.35Å; L35-F54 HydrophobicContact CB-CD1 4.08Å; L35-F54 HydrophobicContact CB-CE1 3.65Å; L35-F54 HydrophobicContact CB-CZ 4.03Å; L35-F54 HydrophobicContact CD2-CD1 4.44Å; L35-F54 HydrophobicContact CD2-CD2 4.16Å; L35-F54 HydrophobicContact CD2-CE1 3.75Å; L35-F54 HydrophobicContact CD2-CE2 3.41Å; L35-F54 VanDerWaalsContact CD2-CE2 3.41Å; L35-F54 HydrophobicContact CD2-CZ 3.17Å; L35-F54 HydrophobicContact CG-CE1 4.34Å; L35-F54 HydrophobicContact CG-CZ 4.22Å; L35-L183 HydrophobicContact CD1-CD2 3.8Å; L35-L183 HydrophobicContact CD1-CG 3.85Å; L35-V184 HydrophobicContact CD1-CG2 4.4Å; L35-V184 HydrophobicContact CD2-CB 4.11Å; L35-V184 HydrophobicContact CD2-CG1 4.05Å; L35-V184 HydrophobicContact CD2-CG2 3.77Å; L35-Y187 HydrophobicContact CB-CD1 4.48Å; L35-Y187 HydrophobicContact CB-CD2 4.34Å; L35-Y187 HydrophobicContact CB-CG 4.06Å; L35-Y187 HydrophobicContact CD1-CD2 3.91Å; L35-Y187 HydrophobicContact CD1-CE2 4.48Å; L35-Y187 HydrophobicContact CD1-CG 4.43Å
36P96.7Very high96.6Very high29 Ų2956.9 Ų56.919%0.18829%0.287CS..Hα-helixtrans-51.4-44.4176.2-29.633.4000114.1G32 M33 K38 L39 F40 I50 F54G32-P36 WeakPolarHBondContact O-CD 3.25Å; G32-P36 VanDerWaalsContact O-CG 3.26Å; G32-P36 WeakPolarHBondContact O-CG 3.21Å; M33-P36 WeakPolarHBondContact O-CD 3.38Å; P36-K38 PolarHBondContact O-N 3.3Å; P36-L39 PolarHBondContact O-N 3.45Å; P36-F40 WeakPolarHBondContact O-CB 3.31Å; P36-F40 PolarHBondContact O-N 3.32Å; P36-I50 HydrophobicContact CB-CD1 3.81Å; P36-I50 HydrophobicContact CG-CD1 4.3Å; P36-I50 HydrophobicContact CG-CG2 4.26Å; P36-F54 HydrophobicContact CG-CB 3.71Å; P36-F54 HydrophobicContact CG-CD1 4.38Å; P36-F54 HydrophobicContact CG-CG 4.16Å
37T96.6Very high96.3Very high95 Ų9557.9 Ų57.958%0.58329%0.289SS*.Hα-helixtrans-64.5-37.9178.549.80000112.4M33 K34 L35 F40M33-T37 WeakPolarHBondContact O-CB 3.47Å; M33-T37 VanDerWaalsContact O-CG2 3.23Å; M33-T37 WeakPolarHBondContact O-CG2 3.34Å; M33-T37 PolarHBondContact O-N 2.89Å; M33-T37 PolarHBondContact O-OG1 3.4Å; K34-T37 PolarHBondContact O-OG1 2.97Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.01Å; T37-F40 WeakPolarHBondContact O-CB 3.46Å
38K95.2Very high96Very high101 Ų10156 Ų5644%0.43928%0.283SS..Hα-helixtrans-65.5-45.7172.4-76.7176.6173.9-73.60112.3K34 L35 P36 F40K34-K38 WeakPolarHBondContact O-CG 3.41Å; K34-K38 PolarHBondContact O-N 3.42Å; L35-K38 WeakPolarHBondContact O-CB 3.06Å; L35-K38 PolarHBondContact O-N 3.4Å; P36-K38 PolarHBondContact O-N 3.3Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 2.82Å
39L95.8Very high95.7Very high7 Ų761.5 Ų61.54%0.03732%0.317CS..Hα-helixtrans-72.9-20.2-178.1-66.5-178.4000113.1L35 P36 G41 Y42 K43 L46 I50 F111 L180 L183 V184L35-L39 HydrophobicContact CD1-CD1 4.07Å; L35-L39 HydrophobicContact CD1-CD2 4.49Å; L35-L39 HydrophobicContact CD1-CG 4.02Å; L35-L39 HydrophobicContact CD2-CD1 4.04Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.07Å; L35-L39 PolarHBondContact O-N 3.35Å; P36-L39 PolarHBondContact O-N 3.45Å; L39-G41 PolarHBondContact O-N 3.43Å; L39-Y42 HydrophobicContact CD2-CD2 4.5Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 WeakPolarHBondContact O-CA 3.27Å; L39-Y42 PolarHBondContact O-N 3.16Å; L39-K43 PolarHBondContact O-N 2.87Å; L39-L46 HydrophobicContact CD2-CD1 4.1Å; L39-I50 HydrophobicContact CD1-CG1 4.49Å; L39-F111 HydrophobicContact CD1-CE2 3.94Å; L39-F111 HydrophobicContact CD1-CZ 3.75Å; L39-L180 HydrophobicContact CD2-CD2 3.85Å; L39-L183 HydrophobicContact CD2-CD2 4.46Å; L39-V184 HydrophobicContact CD1-CG2 4.28Å
40F94.8Very high95.5Very high152 Ų15262.5 Ų62.567%0.66732%0.322SS*.Hα-helixtrans-57-34.1177.3-172.6-100.6000112.7P36 T37 K38 Y42 K43P36-F40 WeakPolarHBondContact O-CB 3.31Å; P36-F40 PolarHBondContact O-N 3.32Å; T37-F40 WeakPolarHBondContact O-CB 3.46Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 2.82Å; F40-Y42 PolarHBondContact O-N 3.45Å; F40-K43 HydrophobicContact CE2-CD 4.34Å; F40-K43 WeakPolarHBondContact O-CB 3.02Å; F40-K43 PolarHBondContact O-N 3.16Å
41G93.6Very high95.3Very high43 Ų4360.2 Ų60.244%0.44330%0.302SS..THydrogen-bonded Turntrans-66.8-13.2175.300000114.6L39 E135L39-G41 PolarHBondContact O-N 3.43Å; G41-E135 VanDerWaalsContact O-CD 3.26Å; G41-E135 VanDerWaalsContact O-CG 3.27Å; G41-E135 WeakPolarHBondContact O-CG 3.38Å
42Y95.9Very high95.2Very high15 Ų1561 Ų616%0.05931%0.314CS..THydrogen-bonded Turntrans-118.117.6-179.1-47.3-65.9000112.5L39 F40 R44 I45 L46 E135 N138 L139 T142 F143L39-Y42 HydrophobicContact CD2-CD2 4.5Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 WeakPolarHBondContact O-CA 3.27Å; L39-Y42 PolarHBondContact O-N 3.16Å; F40-Y42 PolarHBondContact O-N 3.45Å; Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 2.96Å; Y42-I45 HydrophobicContact CD1-CD1 4.42Å; Y42-I45 WeakPolarHBondContact O-CG1 3.34Å; Y42-I45 PolarHBondContact O-N 3.06Å; Y42-L46 WeakPolarHBondContact O-CB 3.26Å; Y42-L46 VanDerWaalsContact O-CG 3.3Å; Y42-L46 WeakPolarHBondContact O-CG 3.43Å; Y42-L46 PolarHBondContact O-N 2.93Å; Y42-E135 WeakPolarHBondContact CA-OE1 3.47Å; Y42-E135 HydrophobicContact CD1-CG 4.13Å; Y42-N138 HydrophobicContact CE1-CB 4.34Å; Y42-N138 WeakPolarHBondContact CE1-ND2 3.46Å; Y42-L139 HydrophobicContact CD1-CB 3.75Å; Y42-L139 HydrophobicContact CD1-CD1 3.85Å; Y42-L139 HydrophobicContact CD1-CG 4.2Å; Y42-L139 HydrophobicContact CD2-CD1 4.29Å; Y42-L139 HydrophobicContact CE1-CB 3.65Å; Y42-L139 HydrophobicContact CE1-CD1 4.35Å; Y42-L139 HydrophobicContact CE1-CG 4.24Å; Y42-L139 HydrophobicContact CG-CD1 3.8Å; Y42-T142 PolarHBondContact OH-OG1 3.38Å; Y42-F143 AromaticContact CE2-CE2 3.68Å; Y42-F143 HydrophobicContact CE2-CE2 3.68Å; Y42-F143 HydrophobicContact CE2-CZ 4.3Å; Y42-F143 AromaticContact CZ-CE2 3.88Å
43K95.2Very high95.2Very high140 Ų14061 Ų6161%0.60931%0.314SS*.Hα-helixtrans-60.5-34.3-174.1-177.1-178176.7-174.60113.1L39 F40 Q47 E135L39-K43 PolarHBondContact O-N 2.87Å; F40-K43 HydrophobicContact CE2-CD 4.34Å; F40-K43 WeakPolarHBondContact O-CB 3.02Å; F40-K43 PolarHBondContact O-N 3.16Å; K43-Q47 PolarHBondContact O-N 2.94Å; K43-E135 PolarHBondContact N-OE1 3.34Å
44R94.9Very high95.2Very high123 Ų12356.8 Ų56.846%0.46429%0.293SS..Hα-helixtrans-73.8-38.4-175.7-68.6-179.8-72-170.9-2.1111.5Y42 Q47 E135Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 2.96Å; R44-Q47 VanDerWaalsContact O-CG 3.31Å; R44-Q47 WeakPolarHBondContact O-CG 3.37Å; R44-E135 WeakPolarHBondContact CA-OE1 3.34Å; R44-E135 WeakPolarHBondContact CB-OE1 3.18Å; R44-E135 IonicContact CZ-OE2 3.23Å; R44-E135 VanDerWaalsContact CZ-OE2 3.23Å; R44-E135 PolarHBondContact N-OE1 2.73Å; R44-E135 IonicContact NE-OE2 2.72Å; R44-E135 PolarHBondContact NE-OE2 3.3Å; R44-E135 IonicContact NH2-OE2 2.86Å; R44-E135 PolarHBondContact NH2-OE2 2.86Å
45I96.4Very high95.1Very high0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-85.3-31.3-178.765.4175.4000113.2Y42 S118 L119 S122 Y132 E135 F136 L139Y42-I45 HydrophobicContact CD1-CD1 4.42Å; Y42-I45 WeakPolarHBondContact O-CG1 3.34Å; Y42-I45 PolarHBondContact O-N 3.06Å; I45-S118 CarbonylContact O-C 3.46Å; I45-S118 VanDerWaalsContact O-CB 3.27Å; I45-S118 WeakPolarHBondContact O-CB 3.5Å; I45-L119 HydrophobicContact CD1-CD2 4.36Å; I45-S122 PolarHBondContact O-OG 3.34Å; I45-Y132 HydrophobicContact CB-CD1 4.47Å; I45-Y132 HydrophobicContact CG2-CD1 3.76Å; I45-Y132 HydrophobicContact CG2-CE1 4.41Å; I45-Y132 HydrophobicContact CG2-CG 4.12Å; I45-E135 HydrophobicContact CD1-CG 4.06Å; I45-E135 HydrophobicContact CG1-CG 4.11Å; I45-E135 HydrophobicContact CG2-CB 3.93Å; I45-E135 HydrophobicContact CG2-CG 4.08Å; I45-E135 PolarHBondContact N-OE1 3.15Å; I45-E135 VanDerWaalsContact N-OE1 3.15Å; I45-F136 HydrophobicContact CD1-CB 4.19Å; I45-F136 HydrophobicContact CD1-CD2 4.25Å; I45-F136 HydrophobicContact CD1-CG 4.26Å; I45-L139 HydrophobicContact CD1-CB 4.1Å; I45-L139 HydrophobicContact CD1-CD1 3.69Å; I45-L139 HydrophobicContact CD1-CG 4.44Å
46L94.2Very high95.1Very high5 Ų558.6 Ų58.63%0.02631%0.313CS..Hα-helixtrans-81.5-35-178.2-65.6-178.4000112.7L39 Y42 A48 F111 A115 S118 L119 L139 L180L39-L46 HydrophobicContact CD2-CD1 4.1Å; Y42-L46 WeakPolarHBondContact O-CB 3.26Å; Y42-L46 VanDerWaalsContact O-CG 3.3Å; Y42-L46 WeakPolarHBondContact O-CG 3.43Å; Y42-L46 PolarHBondContact O-N 2.93Å; L46-A48 HydrophobicContact CB-CB 4.29Å; L46-A48 WeakPolarHBondContact O-CA 3.24Å; L46-A48 WeakPolarHBondContact O-CB 3.07Å; L46-A48 PolarHBondContact O-N 3.43Å; L46-F111 HydrophobicContact CD1-CZ 4.45Å; L46-A115 HydrophobicContact CD2-CB 4.27Å; L46-S118 VanDerWaalsContact C-CB 3.48Å; L46-S118 WeakPolarHBondContact O-CB 3.33Å; L46-S118 PolarHBondContact O-OG 3.21Å; L46-S118 VanDerWaalsContact O-OG 3.08Å; L46-L119 HydrophobicContact CD2-CD1 4.18Å; L46-L119 HydrophobicContact CD2-CD2 3.85Å; L46-L119 HydrophobicContact CD2-CG 3.89Å; L46-L139 HydrophobicContact CD2-CD1 4.4Å; L46-L180 HydrophobicContact CD1-CD1 4.07Å; L46-L180 HydrophobicContact CD1-CD2 4.49Å; L46-L180 HydrophobicContact CD2-CD1 3.32Å; L46-L180 HydrophobicContact CG-CD1 4.34Å
47Q92.5Very high95.2Very high118 Ų11857.2 Ų57.255%0.55130%0.304SS*.  trans42.920.4-173.5-54.8-169.9-34.900114.5K43 R44 Y132K43-Q47 PolarHBondContact O-N 2.94Å; R44-Q47 VanDerWaalsContact O-CG 3.31Å; R44-Q47 WeakPolarHBondContact O-CG 3.37Å; Q47-Y132 PolarHBondContact NE2-OH 3.46Å
48A91.2Very high95.2Very high20 Ų2054 Ų5417%0.16528%0.284CS..PPolyproline II helixtrans-102138.6-167.200000110.9L46 I50 F111 E114 A115L46-A48 HydrophobicContact CB-CB 4.29Å; L46-A48 WeakPolarHBondContact O-CA 3.24Å; L46-A48 WeakPolarHBondContact O-CB 3.07Å; L46-A48 PolarHBondContact O-N 3.43Å; A48-I50 PolarHBondContact O-N 3Å; A48-F111 HydrophobicContact CB-CD2 3.72Å; A48-F111 HydrophobicContact CB-CE2 3.76Å; A48-E114 HydrophobicContact CB-CB 3.96Å; A48-E114 HydrophobicContact CB-CG 3.94Å; A48-A115 HydrophobicContact CB-CB 3.99Å
49T91.6Very high95.4Very high117 Ų11755.2 Ų55.272%0.71829%0.29SS*.PPolyproline II helixtrans-75.9117.4174.5-56.60000109.5F111T49-F111 WeakPolarHBondContact O-CB 3.49Å; T49-F111 WeakPolarHBondContact O-CD2 3.46Å
50I93.4Very high95.4Very high51 Ų5154.9 Ų54.926%0.26229%0.289SS..PPolyproline II helixtrans-54.1141.9177.2-61.6165.5000109.7P36 L39 A48 F54P36-I50 HydrophobicContact CB-CD1 3.81Å; P36-I50 HydrophobicContact CG-CD1 4.3Å; P36-I50 HydrophobicContact CG-CG2 4.26Å; L39-I50 HydrophobicContact CD1-CG1 4.49Å; A48-I50 PolarHBondContact O-N 3Å; I50-F54 HydrophobicContact CG2-CB 3.98Å; I50-F54 HydrophobicContact CG2-CD2 3.56Å; I50-F54 HydrophobicContact CG2-CE2 4.45Å; I50-F54 HydrophobicContact CG2-CG 4.01Å
51P95.6Very high95.5Very high2 Ų247.7 Ų47.71%0.01326%0.257CS..PPolyproline II helixtrans-50.6137.4178.2-31.238.3000113I53 F54 P55 D109 F111 V184P51-I53 HydrophobicContact CB-CG2 4.07Å; P51-I53 PolarHBondContact O-N 3.45Å; P51-F54 HydrophobicContact CB-CD2 3.93Å; P51-F54 HydrophobicContact CB-CE2 3.92Å; P51-F54 HydrophobicContact CG-CD2 4.29Å; P51-F54 HydrophobicContact CG-CE2 4Å; P51-F54 WeakPolarHBondContact O-CD2 3.43Å; P51-F54 PolarHBondContact O-N 3.44Å; P51-F54 VanDerWaalsContact O-N 3.17Å; P51-P55 WeakPolarHBondContact O-CD 3.11Å; P51-D109 HydrophobicContact CB-CB 4.3Å; P51-D109 HydrophobicContact CG-CB 4.15Å; P51-F111 HydrophobicContact CG-CB 3.85Å; P51-F111 HydrophobicContact CG-CG 4.17Å; P51-V184 HydrophobicContact CG-CG1 3.74Å
52P95.3Very high95.8Very high81 Ų8148.3 Ų48.353%0.52626%0.255SS..THydrogen-bonded Turntrans-57-24.4-174.8-27.534.8000114.5F54 P55 T56P52-F54 PolarHBondContact O-N 2.95Å; P52-P55 VanDerWaalsContact O-CD 3.22Å; P52-P55 WeakPolarHBondContact O-CD 3.47Å; P52-P55 WeakPolarHBondContact O-CG 3.46Å; P52-T56 WeakPolarHBondContact O-CB 3.37Å; P52-T56 WeakPolarHBondContact O-CG2 3.2Å; P52-T56 PolarHBondContact O-N 2.81Å; P52-T56 VanDerWaalsContact O-N 3.14Å; P52-T56 PolarHBondContact O-OG1 3.15Å
53I97Very high95.8Very high1 Ų149.1 Ų49.11%0.00526%0.26CS..Hα-helixtrans-55.9-36178.9-168.8172000113P51 T56 A57 I100 S104 K188 L191 I192P51-I53 HydrophobicContact CB-CG2 4.07Å; P51-I53 PolarHBondContact O-N 3.45Å; I53-T56 WeakPolarHBondContact CA-OG1 3.18Å; I53-T56 PolarHBondContact O-OG1 3.31Å; I53-A57 WeakPolarHBondContact O-CB 3.34Å; I53-A57 PolarHBondContact O-N 3.3Å; I53-I100 HydrophobicContact CB-CD1 4.28Å; I53-I100 HydrophobicContact CB-CG1 4.28Å; I53-I100 HydrophobicContact CG1-CD1 3.67Å; I53-I100 HydrophobicContact CG1-CG1 3.87Å; I53-I100 WeakPolarHBondContact O-CD1 3.3Å; I53-S104 WeakPolarHBondContact CB-OG 3.41Å; I53-S104 WeakPolarHBondContact CD1-OG 3.47Å; I53-K188 HydrophobicContact CD1-CG 4.32Å; I53-K188 HydrophobicContact CG2-CG 4.25Å; I53-L191 HydrophobicContact CD1-CB 4.04Å; I53-L191 HydrophobicContact CD1-CD2 4.12Å; I53-L191 HydrophobicContact CD1-CG 4.06Å; I53-L191 HydrophobicContact CG1-CD2 3.74Å; I53-L191 HydrophobicContact CG1-CG 4.09Å; I53-L191 HydrophobicContact CG2-CD2 4.43Å; I53-I192 HydrophobicContact CD1-CD1 4.46Å; I53-I192 HydrophobicContact CD1-CG1 3.57Å
54F97.8Very high95.8Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-67.7-55.4-176.1-66.1-76.6000112.9L35 P36 I50 P51 P52 T58 V184 K188 L191L35-F54 HydrophobicContact CB-CD1 4.08Å; L35-F54 HydrophobicContact CB-CE1 3.65Å; L35-F54 HydrophobicContact CB-CZ 4.03Å; L35-F54 HydrophobicContact CD2-CD1 4.44Å; L35-F54 HydrophobicContact CD2-CD2 4.16Å; L35-F54 HydrophobicContact CD2-CE1 3.75Å; L35-F54 HydrophobicContact CD2-CE2 3.41Å; L35-F54 VanDerWaalsContact CD2-CE2 3.41Å; L35-F54 HydrophobicContact CD2-CZ 3.17Å; L35-F54 HydrophobicContact CG-CE1 4.34Å; L35-F54 HydrophobicContact CG-CZ 4.22Å; P36-F54 HydrophobicContact CG-CB 3.71Å; P36-F54 HydrophobicContact CG-CD1 4.38Å; P36-F54 HydrophobicContact CG-CG 4.16Å; I50-F54 HydrophobicContact CG2-CB 3.98Å; I50-F54 HydrophobicContact CG2-CD2 3.56Å; I50-F54 HydrophobicContact CG2-CE2 4.45Å; I50-F54 HydrophobicContact CG2-CG 4.01Å; P51-F54 HydrophobicContact CB-CD2 3.93Å; P51-F54 HydrophobicContact CB-CE2 3.92Å; P51-F54 HydrophobicContact CG-CD2 4.29Å; P51-F54 HydrophobicContact CG-CE2 4Å; P51-F54 WeakPolarHBondContact O-CD2 3.43Å; P51-F54 PolarHBondContact O-N 3.44Å; P51-F54 VanDerWaalsContact O-N 3.17Å; P52-F54 PolarHBondContact O-N 2.95Å; F54-T58 WeakPolarHBondContact O-CB 3.14Å; F54-T58 PolarHBondContact O-N 3.11Å; F54-T58 VanDerWaalsContact O-N 3.13Å; F54-T58 PolarHBondContact O-OG1 3.29Å; F54-V184 HydrophobicContact CE2-CG1 4.41Å; F54-K188 HydrophobicContact CZ-CB 4.32Å; F54-L191 HydrophobicContact CD1-CD2 3.98Å; F54-L191 HydrophobicContact CE1-CD2 4.17Å
55P97.1Very high96Very high75 Ų7538.7 Ų38.749%0.48722%0.22SC..Hα-helixtrans-65.8-38.1176.624.3-33.9000112.7P51 P52 T58 F59P51-P55 WeakPolarHBondContact O-CD 3.11Å; P52-P55 VanDerWaalsContact O-CD 3.22Å; P52-P55 WeakPolarHBondContact O-CD 3.47Å; P52-P55 WeakPolarHBondContact O-CG 3.46Å; P55-T58 PolarHBondContact O-N 2.83Å; P55-F59 WeakPolarHBondContact O-CB 3.48Å; P55-F59 PolarHBondContact O-N 2.98Å
56T97Very high96Very high55 Ų5543.2 Ų43.234%0.33724%0.243SC..Hα-helixtrans-70.6-36.6-178.649.30000112.5P52 I53 F59 S60 I100P52-T56 WeakPolarHBondContact O-CB 3.37Å; P52-T56 WeakPolarHBondContact O-CG2 3.2Å; P52-T56 PolarHBondContact O-N 2.81Å; P52-T56 VanDerWaalsContact O-N 3.14Å; P52-T56 PolarHBondContact O-OG1 3.15Å; I53-T56 WeakPolarHBondContact CA-OG1 3.18Å; I53-T56 PolarHBondContact O-OG1 3.31Å; T56-F59 PolarHBondContact O-N 2.99Å; T56-S60 PolarHBondContact O-N 3.27Å; T56-S60 PolarHBondContact O-OG 3.46Å; T56-I100 WeakPolarHBondContact OG1-CD1 3.27Å; T56-I100 VanDerWaalsContact OG1-CG1 3.24Å; T56-I100 WeakPolarHBondContact OG1-CG1 3.32Å
57A97.5Very high96Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-65.6-43.7172.500000111.4V28 I53 F59 S60 G61 I100 L191V28-A57 HydrophobicContact CG1-CB 3.95Å; V28-A57 WeakPolarHBondContact CG1-O 3.35Å; I53-A57 WeakPolarHBondContact O-CB 3.34Å; I53-A57 PolarHBondContact O-N 3.3Å; A57-F59 VanDerWaalsContact C-N 3.27Å; A57-F59 PolarHBondContact O-N 2.59Å; A57-S60 WeakPolarHBondContact CA-OG 3.05Å; A57-S60 PolarHBondContact O-N 3.44Å; A57-S60 VanDerWaalsContact O-N 3.15Å; A57-S60 PolarHBondContact O-OG 3.15Å; A57-G61 PolarHBondContact O-N 3.43Å; A57-I100 HydrophobicContact CB-CD1 3.93Å; A57-I100 VanDerWaalsContact N-CD1 3.31Å; A57-L191 HydrophobicContact CB-CD1 3.79Å; A57-L191 HydrophobicContact CB-CD2 3.66Å; A57-L191 HydrophobicContact CB-CG 3.86Å
58T98Very high96.2Very high27 Ų2737.3 Ų37.317%0.16622%0.215CC..Hα-helixtrans-57.9-42.2176-54.60000111.4I29 M33 F54 P55 S62I29-T58 HydrophobicContact CG2-CG2 4.37Å; M33-T58 HydrophobicContact CG-CG2 3.75Å; M33-T58 HydrophobicContact SD-CG2 4.13Å; F54-T58 WeakPolarHBondContact O-CB 3.14Å; F54-T58 PolarHBondContact O-N 3.11Å; F54-T58 VanDerWaalsContact O-N 3.13Å; F54-T58 PolarHBondContact O-OG1 3.29Å; P55-T58 PolarHBondContact O-N 2.83Å; T58-S62 PolarHBondContact O-N 2.95Å; T58-S62 PolarHBondContact O-OG 3.44Å
59F97.9Very high96.3Very high128 Ų12839 Ų3956%0.56123%0.225SC*.Hα-helixtrans-64-47.3174.4178-105.5000112P55 T56 A57 G61 S62 L63 I96P55-F59 WeakPolarHBondContact O-CB 3.48Å; P55-F59 PolarHBondContact O-N 2.98Å; T56-F59 PolarHBondContact O-N 2.99Å; A57-F59 VanDerWaalsContact C-N 3.27Å; A57-F59 PolarHBondContact O-N 2.59Å; F59-G61 PolarHBondContact O-N 2.81Å; F59-S62 WeakPolarHBondContact O-CB 3.4Å; F59-S62 PolarHBondContact O-N 3.18Å; F59-L63 HydrophobicContact CE1-CD2 4.5Å; F59-L63 PolarHBondContact O-N 3.27Å; F59-I96 HydrophobicContact CE1-CD1 4.28Å
60S96.7Very high96.4Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-61.3-40.9179.370.40000113T56 A57 S62 L63 S64T56-S60 PolarHBondContact O-N 3.27Å; T56-S60 PolarHBondContact O-OG 3.46Å; A57-S60 WeakPolarHBondContact CA-OG 3.05Å; A57-S60 PolarHBondContact O-N 3.44Å; A57-S60 VanDerWaalsContact O-N 3.15Å; A57-S60 PolarHBondContact O-OG 3.15Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 2.91Å; S60-L63 PolarHBondContact O-N 3.45Å; S60-S64 WeakPolarHBondContact O-CB 3.32Å; S60-S64 PolarHBondContact O-N 3.17Å; S60-S64 PolarHBondContact O-OG 3.5Å
61G97.8Very high96.3Very high0 Ų032.2 Ų32.20%019%0.185CC..Hα-helixtrans-65.4-37.2176.200000112.1A57 F59 S64 I65A57-G61 PolarHBondContact O-N 3.43Å; F59-G61 PolarHBondContact O-N 2.81Å; G61-S64 WeakPolarHBondContact O-CB 3.36Å; G61-S64 PolarHBondContact O-N 2.93Å; G61-I65 WeakPolarHBondContact O-CG1 3.46Å; G61-I65 PolarHBondContact O-N 3.48Å; G61-I65 VanDerWaalsContact O-N 3.1Å
62S98Very high96Very high57 Ų5734.8 Ų34.840%0.39920%0.198SC..Hα-helixtrans-65.5-43.1175.4-55.80000111.3T58 F59 S60 S64 I65 L66T58-S62 PolarHBondContact O-N 2.95Å; T58-S62 PolarHBondContact O-OG 3.44Å; F59-S62 WeakPolarHBondContact O-CB 3.4Å; F59-S62 PolarHBondContact O-N 3.18Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 2.91Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.32Å; S62-I65 PolarHBondContact O-N 3.23Å; S62-L66 PolarHBondContact O-N 3.27Å
63L96.8Very high95.8Very high32 Ų3235.1 Ų35.117%0.16820%0.195CC..Hα-helixtrans-65.8-33.8176-170.562.2000112F59 S60 L66 A67 T89 I92 V93 I96F59-L63 HydrophobicContact CE1-CD2 4.5Å; F59-L63 PolarHBondContact O-N 3.27Å; S60-L63 PolarHBondContact O-N 3.45Å; L63-L66 HydrophobicContact CD1-CD2 4.3Å; L63-L66 PolarHBondContact O-N 3.15Å; L63-A67 WeakPolarHBondContact O-CB 3.45Å; L63-A67 PolarHBondContact O-N 3.27Å; L63-T89 HydrophobicContact CD1-CG2 3.72Å; L63-T89 HydrophobicContact CD2-CG2 4.5Å; L63-T89 HydrophobicContact CG-CG2 3.93Å; L63-I92 HydrophobicContact CD2-CG2 4.22Å; L63-V93 HydrophobicContact CB-CG2 3.88Å; L63-V93 HydrophobicContact CD2-CG2 3.62Å; L63-V93 HydrophobicContact CG-CG2 3.51Å; L63-I96 HydrophobicContact CD2-CD1 4.28Å
64S96.1Very high95.2Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-63.2-45174.7-56.60000112S60 G61 S62 L66 A67 A68 V93S60-S64 WeakPolarHBondContact O-CB 3.32Å; S60-S64 PolarHBondContact O-N 3.17Å; S60-S64 PolarHBondContact O-OG 3.5Å; G61-S64 WeakPolarHBondContact O-CB 3.36Å; G61-S64 PolarHBondContact O-N 2.93Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.32Å; S64-L66 VanDerWaalsContact C-N 3.35Å; S64-A67 PolarHBondContact O-N 3.31Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.94Å; S64-V93 WeakPolarHBondContact OG-CG1 3.36Å
65I97.7Very high94.6Very high44 Ų4437.4 Ų37.423%0.22621%0.206CC..Hα-helixtrans-63-44.9176.1-65.1167.5000109.9I26 I29 G61 S62 A67 A68 C69I26-I65 HydrophobicContact CG1-CD1 3.81Å; I29-I65 HydrophobicContact CD1-CD1 3.59Å; G61-I65 WeakPolarHBondContact O-CG1 3.46Å; G61-I65 PolarHBondContact O-N 3.48Å; G61-I65 VanDerWaalsContact O-N 3.1Å; S62-I65 PolarHBondContact O-N 3.23Å; I65-A67 PolarHBondContact O-N 3.45Å; I65-A68 PolarHBondContact O-N 2.81Å; I65-C69 PolarHBondContact O-N 2.96Å; I65-C69 PolarHBondContact O-SG 3.35Å; I65-C69 VanDerWaalsContact O-SG 3.36Å
66L96.4Very high93.9Very high94 Ų9439.8 Ų39.849%0.49221%0.214SC..Hα-helixtrans-60.2-46.1176.6179.561.9000111.6S62 L63 S64 A68 C69 I70S62-L66 PolarHBondContact O-N 3.27Å; L63-L66 HydrophobicContact CD1-CD2 4.3Å; L63-L66 PolarHBondContact O-N 3.15Å; S64-L66 VanDerWaalsContact C-N 3.35Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.3Å; L66-C69 WeakPolarHBondContact O-CB 3.34Å; L66-C69 PolarHBondContact O-N 2.85Å; L66-I70 HydrophobicContact CD1-CD1 4.38Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.15Å
67A95.6Very high93.2Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-57.3-46.7176.100000110.8L63 S64 I65 C69 I70 G71 Y86 T89 L90L63-A67 WeakPolarHBondContact O-CB 3.45Å; L63-A67 PolarHBondContact O-N 3.27Å; S64-A67 PolarHBondContact O-N 3.31Å; I65-A67 PolarHBondContact O-N 3.45Å; A67-C69 VanDerWaalsContact C-N 3.34Å; A67-C69 PolarHBondContact O-N 2.88Å; A67-I70 CarbonylContact O-C 3.59Å; A67-I70 WeakPolarHBondContact O-CB 3.39Å; A67-I70 PolarHBondContact O-N 3.35Å; A67-I70 VanDerWaalsContact O-N 3.13Å; A67-G71 PolarHBondContact O-N 3.17Å; A67-Y86 WeakPolarHBondContact O-CD2 2.84Å; A67-T89 HydrophobicContact CB-CG2 3.77Å; A67-L90 HydrophobicContact CB-CD1 4.45Å
68A95.7Very high92.2Very high0 Ų047.6 Ų47.60%025%0.25CC..Hα-helixtrans-62.7-38.7178.900000112.9N18 F21 I22 S64 I65 L66 G71 I72N18-A68 HydrophobicContact CB-CB 4.32Å; N18-A68 VanDerWaalsContact OD1-CA 3.3Å; N18-A68 WeakPolarHBondContact OD1-CA 3.39Å; N18-A68 PolarHBondContact OD1-O 2.99Å; F21-A68 HydrophobicContact CB-CB 4.3Å; I22-A68 HydrophobicContact CD1-CB 4.06Å; I22-A68 HydrophobicContact CG1-CB 3.49Å; I22-A68 VanDerWaalsContact CG1-CB 3.49Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.94Å; I65-A68 PolarHBondContact O-N 2.81Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.3Å; A68-G71 PolarHBondContact O-N 3.35Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 3.44Å
69C93.6Very high91.3Very high55 Ų5554.8 Ų54.837%0.37227%0.274SS..Hα-helixtrans-61.3-45.1171.9-69.60000111.8I65 L66 A67 G71 I72 L73I65-C69 PolarHBondContact O-N 2.96Å; I65-C69 PolarHBondContact O-SG 3.35Å; I65-C69 VanDerWaalsContact O-SG 3.36Å; L66-C69 WeakPolarHBondContact O-CB 3.34Å; L66-C69 PolarHBondContact O-N 2.85Å; A67-C69 VanDerWaalsContact C-N 3.34Å; A67-C69 PolarHBondContact O-N 2.88Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 2.82Å; C69-I72 PolarHBondContact O-N 3.36Å; C69-L73 VanDerWaalsContact O-CG 3.3Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 2.91Å
70I93.3Very high90.5Very high25 Ų2551.8 Ų51.813%0.12826%0.264CS..Hα-helixtrans-60.7-39.5174.9-63.6165.9000110.4L66 A67 L73 G74 I82 L85L66-I70 HydrophobicContact CD1-CD1 4.38Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.15Å; A67-I70 CarbonylContact O-C 3.59Å; A67-I70 WeakPolarHBondContact O-CB 3.39Å; A67-I70 PolarHBondContact O-N 3.35Å; A67-I70 VanDerWaalsContact O-N 3.13Å; I70-L73 PolarHBondContact O-N 3.32Å; I70-G74 PolarHBondContact O-N 3.15Å; I70-I82 HydrophobicContact CG2-CG2 3.88Å; I70-L85 HydrophobicContact CD1-CD2 4.35Å; I70-L85 HydrophobicContact CG2-CB 4.49Å; I70-L85 HydrophobicContact CG2-CD2 4.19Å; I70-L85 HydrophobicContact CG2-CG 4.27Å
71G90.5Very high90Very high0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-59.9-47.9175.900000112.4F14 A67 A68 C69 G74 I75 Y86F14-G71 WeakPolarHBondContact CE1-O 3.39Å; A67-G71 PolarHBondContact O-N 3.17Å; A68-G71 PolarHBondContact O-N 3.35Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 2.82Å; G71-G74 PolarHBondContact O-N 2.95Å; G71-G74 VanDerWaalsContact O-N 3.17Å; G71-I75 PolarHBondContact O-N 2.93Å; G71-Y86 VanDerWaalsContact CA-CD2 3.49Å
72I90.7Very high89.5Confident57 Ų5761 Ų6129%0.29231%0.309SS..Hα-helixtrans-62.8-44.7176.5-64.6165.7000110.8N18 I22 A68 C69 G74 I75 L76N18-I72 HydrophobicContact CB-CD1 4.47Å; N18-I72 HydrophobicContact CB-CG1 4.16Å; I22-I72 HydrophobicContact CD1-CD1 4.21Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 3.44Å; C69-I72 PolarHBondContact O-N 3.36Å; I72-G74 PolarHBondContact O-N 3.22Å; I72-I75 WeakPolarHBondContact O-CB 3.36Å; I72-I75 PolarHBondContact O-N 3.37Å; I72-I75 VanDerWaalsContact O-N 3.15Å; I72-L76 PolarHBondContact O-N 2.79Å
73L89.8Confident88.9Confident87 Ų8761 Ų6146%0.45530%0.304SS..Hα-helixtrans-61.8-33174.7-69.6172.4000112.4C69 I70 I75 L76 N77C69-L73 VanDerWaalsContact O-CG 3.3Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 2.91Å; I70-L73 PolarHBondContact O-N 3.32Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.49Å; L73-L76 PolarHBondContact O-N 3.2Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 3.49Å; L73-N77 PolarHBondContact O-ND2 2.85Å
74G85.8Confident88.4Confident0 Ų064.1 Ų64.10%031%0.314CS..Hα-helixtrans-60.9-38.417500000112.4I70 G71 I72 E78 I82 M83I70-G74 PolarHBondContact O-N 3.15Å; G71-G74 PolarHBondContact O-N 2.95Å; G71-G74 VanDerWaalsContact O-N 3.17Å; I72-G74 PolarHBondContact O-N 3.22Å; G74-E78 PolarHBondContact O-N 3.49Å; G74-I82 VanDerWaalsContact CA-CG2 3.48Å; G74-M83 WeakPolarHBondContact O-CE 3.46Å
75I84.2Confident88.2Confident49 Ų4968.6 Ų68.625%0.25134%0.337SS..Hα-helixtrans-66.6-46174.6-62.3168.7000110.5T11 F14 V15 G71 I72 L73 M83T11-I75 HydrophobicContact CG2-CD1 4.38Å; T11-I75 HydrophobicContact CG2-CG2 4.19Å; F14-I75 HydrophobicContact CD1-CD1 3.17Å; F14-I75 HydrophobicContact CD1-CG1 3.87Å; F14-I75 HydrophobicContact CE1-CD1 3.47Å; F14-I75 VanDerWaalsContact CE1-CD1 3.47Å; F14-I75 HydrophobicContact CE1-CG1 3.78Å; F14-I75 HydrophobicContact CG-CD1 4.12Å; V15-I75 HydrophobicContact CG2-CD1 3.65Å; G71-I75 PolarHBondContact O-N 2.93Å; I72-I75 WeakPolarHBondContact O-CB 3.36Å; I72-I75 PolarHBondContact O-N 3.37Å; I72-I75 VanDerWaalsContact O-N 3.15Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.49Å; I75-M83 HydrophobicContact CG1-CE 3.92Å
76L83.5Confident87.9Confident125 Ų12566.6 Ų66.665%0.65433%0.327SS*.Hα-helixtrans-68.5-37.7-174.8-64.6175.4000113.1I72 L73I72-L76 PolarHBondContact O-N 2.79Å; L73-L76 PolarHBondContact O-N 3.2Å
77N81.5Confident87.7Confident83 Ų8362.8 Ų62.844%0.44431%0.307SS..Hα-helixtrans-89.6-10.9-173.6-72.3-31.4000113.7L73 R79 I82L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 3.49Å; L73-N77 PolarHBondContact O-ND2 2.85Å; N77-R79 HydrophobicContact CB-CG 4.22Å; N77-R79 WeakPolarHBondContact O-CG 3.3Å; N77-R79 PolarHBondContact O-N 3.44Å; N77-I82 HydrophobicContact CB-CD1 3.64Å; N77-I82 WeakPolarHBondContact ND2-CD1 3.49Å
78E76.9Confident87.6Confident136 Ų13666.3 Ų66.364%0.63633%0.331SS*.  trans53.312.2-177.3-56.2-172.117500115.3G74G74-E78 PolarHBondContact O-N 3.49Å
79R78Confident87.5Confident178 Ų17867.1 Ų67.167%0.67234%0.336SS*.  trans-85.6123.3-178.2-59.6-53.8-175.6165.20.5110.8N77 M81 I82 M83N77-R79 HydrophobicContact CB-CG 4.22Å; N77-R79 WeakPolarHBondContact O-CG 3.3Å; N77-R79 PolarHBondContact O-N 3.44Å; R79-M81 PolarHBondContact O-N 3.35Å; R79-I82 HydrophobicContact CB-CD1 3.97Å; R79-I82 HydrophobicContact CB-CG1 4.06Å; R79-I82 HydrophobicContact CG-CD1 4.28Å; R79-I82 PolarHBondContact O-N 3.47Å; R79-I82 VanDerWaalsContact O-N 3.15Å; R79-M83 PolarHBondContact O-N 3.45Å
80N81.2Confident87.5Confident65 Ų6564.5 Ų64.535%0.34832%0.318SS..Hα-helixtrans-53.3-41174.8-73.3-7.6000113.6M1 I82 M83 Y84M1-N80 WeakPolarHBondContact CA-OD1 3.35Å; M1-N80 WeakPolarHBondContact CB-OD1 3.34Å; M1-N80 VanDerWaalsContact N-CG 3.34Å; M1-N80 PolarHBondContact N-ND2 3.29Å; M1-N80 PolarHBondContact N-OD1 3.07Å; N80-I82 VanDerWaalsContact C-N 3.26Å; N80-I82 PolarHBondContact O-N 3.35Å; N80-M83 PolarHBondContact O-N 3.27Å; N80-M83 VanDerWaalsContact O-N 3.15Å; N80-Y84 HydrophobicContact CB-CD2 4.3Å; N80-Y84 HydrophobicContact CB-CE2 3.96Å; N80-Y84 WeakPolarHBondContact O-CD2 3.41Å; N80-Y84 PolarHBondContact O-N 2.88Å
81M86.2Confident87.6Confident153 Ų15365.4 Ų65.475%0.75433%0.325SS*.Hα-helixtrans-60.2-37.3-177.3-66.1-59.4-12600112.1R79 Y84 L85R79-M81 PolarHBondContact O-N 3.35Å; M81-Y84 PolarHBondContact O-N 3.41Å; M81-L85 WeakPolarHBondContact O-CB 3.38Å; M81-L85 PolarHBondContact O-N 3.02Å
82I87.1Confident87.9Confident40 Ų4069.8 Ų69.821%0.20535%0.347CS..Hα-helixtrans-69.9-38.7178.9-58175.5000110.3I70 G74 N77 R79 N80 L85 Y86I70-I82 HydrophobicContact CG2-CG2 3.88Å; G74-I82 VanDerWaalsContact CA-CG2 3.48Å; N77-I82 HydrophobicContact CB-CD1 3.64Å; N77-I82 WeakPolarHBondContact ND2-CD1 3.49Å; R79-I82 HydrophobicContact CB-CD1 3.97Å; R79-I82 HydrophobicContact CB-CG1 4.06Å; R79-I82 HydrophobicContact CG-CD1 4.28Å; R79-I82 PolarHBondContact O-N 3.47Å; R79-I82 VanDerWaalsContact O-N 3.15Å; N80-I82 VanDerWaalsContact C-N 3.26Å; N80-I82 PolarHBondContact O-N 3.35Å; I82-L85 PolarHBondContact O-N 3.44Å; I82-Y86 WeakPolarHBondContact O-CB 3.38Å; I82-Y86 PolarHBondContact O-N 2.92Å
83M85.5Confident88.2Confident58 Ų5867 Ų6729%0.28633%0.334SS..Hα-helixtrans-65.7-39.7174.9-69.2-60.4-162.700112.6F14 G74 I75 R79 N80 Y86 L87F14-M83 HydrophobicContact CZ-SD 4.24Å; G74-M83 WeakPolarHBondContact O-CE 3.46Å; I75-M83 HydrophobicContact CG1-CE 3.92Å; R79-M83 PolarHBondContact O-N 3.45Å; N80-M83 PolarHBondContact O-N 3.27Å; N80-M83 VanDerWaalsContact O-N 3.15Å; M83-Y86 WeakPolarHBondContact O-CB 3.11Å; M83-Y86 PolarHBondContact O-N 2.93Å; M83-L87 WeakPolarHBondContact O-CG 3.38Å; M83-L87 PolarHBondContact O-N 3.06Å
84Y87.5Confident88.5Confident98 Ų9864.5 Ų64.538%0.38432%0.32SS..Hα-helixtrans-65.7-42.2174.1-68.6-56000111.6N80 M81 Y86 L87 C88N80-Y84 HydrophobicContact CB-CD2 4.3Å; N80-Y84 HydrophobicContact CB-CE2 3.96Å; N80-Y84 WeakPolarHBondContact O-CD2 3.41Å; N80-Y84 PolarHBondContact O-N 2.88Å; M81-Y84 PolarHBondContact O-N 3.41Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 2.96Å; Y84-L87 PolarHBondContact O-N 3.44Å; Y84-C88 WeakPolarHBondContact O-CB 3.31Å; Y84-C88 PolarHBondContact O-N 3.41Å; Y84-C88 PolarHBondContact O-SG 2.93Å
85L90.9Very high89.1Confident93 Ų9369.6 Ų69.649%0.48735%0.346SS..Hα-helixtrans-57.9-46.4174.2-179.362.9000111.2I70 M81 I82 L87 C88 T89I70-L85 HydrophobicContact CD1-CD2 4.35Å; I70-L85 HydrophobicContact CG2-CB 4.49Å; I70-L85 HydrophobicContact CG2-CD2 4.19Å; I70-L85 HydrophobicContact CG2-CG 4.27Å; M81-L85 WeakPolarHBondContact O-CB 3.38Å; M81-L85 PolarHBondContact O-N 3.02Å; I82-L85 PolarHBondContact O-N 3.44Å; L85-L87 PolarHBondContact O-N 3.28Å; L85-C88 PolarHBondContact O-N 3.43Å; L85-T89 PolarHBondContact O-N 3.46Å; L85-T89 PolarHBondContact O-OG1 2.95Å
86Y91.8Very high89.7Confident2 Ų269.6 Ų69.61%0.00835%0.346CS..Hα-helixtrans-53.5-52.8174.6165.7-113.4000112.4F14 N18 A67 G71 I82 M83 Y84 C88 T89 L90 Y205F14-Y86 HydrophobicContact CE2-CD1 4.09Å; F14-Y86 AromaticContact CE2-CE1 3.51Å; F14-Y86 HydrophobicContact CE2-CE1 3.51Å; F14-Y86 AromaticContact CZ-CD1 3.92Å; F14-Y86 HydrophobicContact CZ-CD1 3.92Å; F14-Y86 AromaticContact CZ-CE1 3.53Å; F14-Y86 HydrophobicContact CZ-CE1 3.53Å; F14-Y86 AromaticContact CZ-CZ 3.93Å; N18-Y86 PolarHBondContact ND2-OH 3.36Å; N18-Y86 WeakPolarHBondContact OD1-CE2 3.41Å; A67-Y86 WeakPolarHBondContact O-CD2 2.84Å; G71-Y86 VanDerWaalsContact CA-CD2 3.49Å; I82-Y86 WeakPolarHBondContact O-CB 3.38Å; I82-Y86 PolarHBondContact O-N 2.92Å; M83-Y86 WeakPolarHBondContact O-CB 3.11Å; M83-Y86 PolarHBondContact O-N 2.93Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 2.96Å; Y86-C88 VanDerWaalsContact C-N 3.35Å; Y86-C88 PolarHBondContact O-N 2.87Å; Y86-T89 PolarHBondContact O-N 3.26Å; Y86-L90 HydrophobicContact CE2-CD2 4.36Å; Y86-L90 WeakPolarHBondContact O-CB 3.12Å; Y86-L90 PolarHBondContact O-N 2.72Å; Y86-Y205 HydrophobicContact CE1-CE1 4.01Å; Y86-Y205 AromaticContact CZ-CE1 3.98Å; Y86-Y205 WeakPolarHBondContact OH-CE1 3.06Å; Y86-Y205 PolarHBondContact OH-OH 3.21Å
87L91.7Very high90.3Very high14 Ų1463.6 Ų63.67%0.07332%0.315CS..Hα-helixtrans-63.2-40.1-179.4-67.6173.1000112.2M83 Y84 L85 T91 L206 I213M83-L87 WeakPolarHBondContact O-CG 3.38Å; M83-L87 PolarHBondContact O-N 3.06Å; Y84-L87 PolarHBondContact O-N 3.44Å; L85-L87 PolarHBondContact O-N 3.28Å; L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 2.8Å; L87-T91 PolarHBondContact O-OG1 3.25Å; L87-L206 HydrophobicContact CD2-CD2 3.92Å; L87-I213 HydrophobicContact CD1-CD1 3.55Å
88C93.8Very high91Very high75 Ų7562.7 Ų62.751%0.50731%0.309SS..Hα-helixtrans-62.6-49.3175.8-71.40000111.5Y84 L85 Y86 L90 T91 I92Y84-C88 WeakPolarHBondContact O-CB 3.31Å; Y84-C88 PolarHBondContact O-N 3.41Å; Y84-C88 PolarHBondContact O-SG 2.93Å; L85-C88 PolarHBondContact O-N 3.43Å; Y86-C88 VanDerWaalsContact C-N 3.35Å; Y86-C88 PolarHBondContact O-N 2.87Å; C88-L90 PolarHBondContact O-N 3.4Å; C88-T91 PolarHBondContact O-N 3.03Å; C88-I92 WeakPolarHBondContact O-CG1 3.11Å; C88-I92 PolarHBondContact O-N 3.18Å
89T94.2Very high91.9Very high17 Ų1758 Ų5810%0.10430%0.297CS..Hα-helixtrans-62.6-42.9178.9-53.80000111.3L63 A67 L85 Y86 T91 I92 V93L63-T89 HydrophobicContact CD1-CG2 3.72Å; L63-T89 HydrophobicContact CD2-CG2 4.5Å; L63-T89 HydrophobicContact CG-CG2 3.93Å; A67-T89 HydrophobicContact CB-CG2 3.77Å; L85-T89 PolarHBondContact O-N 3.46Å; L85-T89 PolarHBondContact O-OG1 2.95Å; Y86-T89 PolarHBondContact O-N 3.26Å; T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.18Å; T89-I92 PolarHBondContact O-N 3.23Å; T89-V93 WeakPolarHBondContact O-CG2 3.41Å; T89-V93 PolarHBondContact O-N 3.41Å
90L94.3Very high92.7Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-64.5-37178.1-163.869.9000112.1F21 A67 Y86 C88 V93 M94 H202 Y205 L206F21-L90 HydrophobicContact CD2-CD1 4.01Å; F21-L90 HydrophobicContact CD2-CD2 4.48Å; F21-L90 HydrophobicContact CE2-CD1 4.08Å; F21-L90 HydrophobicContact CE2-CD2 3.8Å; F21-L90 HydrophobicContact CZ-CD2 4.48Å; A67-L90 HydrophobicContact CB-CD1 4.45Å; Y86-L90 HydrophobicContact CE2-CD2 4.36Å; Y86-L90 WeakPolarHBondContact O-CB 3.12Å; Y86-L90 PolarHBondContact O-N 2.72Å; C88-L90 PolarHBondContact O-N 3.4Å; L90-V93 PolarHBondContact O-N 2.99Å; L90-M94 PolarHBondContact O-N 3.03Å; L90-H202 WeakPolarHBondContact CD1-NE2 3.43Å; L90-Y205 HydrophobicContact CD2-CD1 3.57Å; L90-Y205 HydrophobicContact CD2-CE1 3.68Å; L90-L206 HydrophobicContact CB-CD2 4.25Å; L90-L206 HydrophobicContact CD2-CD2 3.88Å; L90-L206 HydrophobicContact CD2-CG 4.06Å; L90-L206 HydrophobicContact CG-CD2 4.33Å; L90-L206 HydrophobicContact CG-CG 4.44Å
91T95.4Very high93.4Very high44 Ų4447 Ų4727%0.2725%0.252SS..Hα-helixtrans-63.5-43.1173.9-57.10000111.1L87 C88 T89 M94 L95L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 2.8Å; L87-T91 PolarHBondContact O-OG1 3.25Å; C88-T91 PolarHBondContact O-N 3.03Å; T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.18Å; T91-M94 PolarHBondContact O-N 3.44Å; T91-L95 HydrophobicContact CG2-CD1 4.4Å; T91-L95 WeakPolarHBondContact O-CG 3.5Å; T91-L95 PolarHBondContact O-N 2.97Å
92I96.7Very high93.8Very high91 Ų9142.3 Ų42.347%0.46723%0.232SC..Hα-helixtrans-62.1-45.3176.6-68165000110.8L63 C88 T89 M94 L95 I96L63-I92 HydrophobicContact CD2-CG2 4.22Å; C88-I92 WeakPolarHBondContact O-CG1 3.11Å; C88-I92 PolarHBondContact O-N 3.18Å; T89-I92 PolarHBondContact O-N 3.23Å; I92-M94 PolarHBondContact O-N 2.85Å; I92-L95 PolarHBondContact O-N 2.95Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.46Å; I92-I96 WeakPolarHBondContact O-CG1 3.36Å; I92-I96 PolarHBondContact O-N 3.36Å
93V96.7Very high94.2Very high0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-56.3-49.9175.8168.30000111L63 S64 T89 L90 L95 I96 E97L63-V93 HydrophobicContact CB-CG2 3.88Å; L63-V93 HydrophobicContact CD2-CG2 3.62Å; L63-V93 HydrophobicContact CG-CG2 3.51Å; S64-V93 WeakPolarHBondContact OG-CG1 3.36Å; T89-V93 WeakPolarHBondContact O-CG2 3.41Å; T89-V93 PolarHBondContact O-N 3.41Å; L90-V93 PolarHBondContact O-N 2.99Å; V93-L95 VanDerWaalsContact C-N 3.31Å; V93-L95 PolarHBondContact O-N 3.39Å; V93-I96 WeakPolarHBondContact O-CB 3.41Å; V93-I96 PolarHBondContact O-N 3.3Å; V93-I96 VanDerWaalsContact O-N 3.12Å; V93-E97 HydrophobicContact CG1-CG 4.4Å; V93-E97 WeakPolarHBondContact CG1-OE1 3.2Å; V93-E97 WeakPolarHBondContact O-CG 3.38Å; V93-E97 PolarHBondContact O-N 3.13Å
94M96.1Very high94.7Very high33 Ų3340.2 Ų40.216%0.16323%0.227CC..Hα-helixtrans-56.5-44.7178.6-174.8-157.278.100112.1L90 T91 I92 E97 I98 G199 H202 G203 L206L90-M94 PolarHBondContact O-N 3.03Å; T91-M94 PolarHBondContact O-N 3.44Å; I92-M94 PolarHBondContact O-N 2.85Å; M94-E97 PolarHBondContact O-N 2.87Å; M94-I98 HydrophobicContact CE-CD1 4.37Å; M94-I98 HydrophobicContact CG-CD1 3.99Å; M94-I98 WeakPolarHBondContact O-CG1 3.21Å; M94-I98 PolarHBondContact O-N 3.38Å; M94-G199 WeakPolarHBondContact CG-O 3.27Å; M94-H202 HydrophobicContact CB-CB 3.98Å; M94-H202 HydrophobicContact CG-CB 3.95Å; M94-G203 VanDerWaalsContact SD-CA 3.52Å; M94-L206 HydrophobicContact CB-CD1 4.41Å; M94-L206 HydrophobicContact SD-CD1 4.01Å
95L97.2Very high94.9Very high107 Ų10742.6 Ų42.656%0.5624%0.239SC*.Hα-helixtrans-65-39.8178.2-67.9174.6000111.9T91 I92 V93 G99T91-L95 HydrophobicContact CG2-CD1 4.4Å; T91-L95 WeakPolarHBondContact O-CG 3.5Å; T91-L95 PolarHBondContact O-N 2.97Å; I92-L95 PolarHBondContact O-N 2.95Å; V93-L95 VanDerWaalsContact C-N 3.31Å; V93-L95 PolarHBondContact O-N 3.39Å; L95-G99 PolarHBondContact O-N 3.1Å
96I97.3Very high95Very high49 Ų4944.8 Ų44.825%0.25125%0.25SS..Hα-helixtrans-61.9-46.8175.1-68167.5000110.2F59 L63 I92 V93 G99 I100F59-I96 HydrophobicContact CE1-CD1 4.28Å; L63-I96 HydrophobicContact CD2-CD1 4.28Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.46Å; I92-I96 WeakPolarHBondContact O-CG1 3.36Å; I92-I96 PolarHBondContact O-N 3.36Å; V93-I96 WeakPolarHBondContact O-CB 3.41Å; V93-I96 PolarHBondContact O-N 3.3Å; V93-I96 VanDerWaalsContact O-N 3.12Å; I96-G99 PolarHBondContact O-N 3Å; I96-I100 VanDerWaalsContact O-CB 3.28Å; I96-I100 WeakPolarHBondContact O-CB 3.5Å; I96-I100 WeakPolarHBondContact O-CG2 3.33Å; I96-I100 PolarHBondContact O-N 3.35Å
97E95.9Very high94.9Very high0 Ų050.6 Ų50.60%028%0.279CS..Hα-helixtrans-64.7-40.9-177.9-74.4171.3171.500113.7V93 M94 I100 A101 C195 F198 G199 H202V93-E97 HydrophobicContact CG1-CG 4.4Å; V93-E97 WeakPolarHBondContact CG1-OE1 3.2Å; V93-E97 WeakPolarHBondContact O-CG 3.38Å; V93-E97 PolarHBondContact O-N 3.13Å; M94-E97 PolarHBondContact O-N 2.87Å; E97-I100 WeakPolarHBondContact O-CG2 3.36Å; E97-A101 WeakPolarHBondContact O-CB 3.33Å; E97-A101 PolarHBondContact O-N 2.97Å; E97-C195 HydrophobicContact CB-CB 4.42Å; E97-F198 VanDerWaalsContact CD-CD1 3.49Å; E97-F198 WeakPolarHBondContact OE1-CD1 3.39Å; E97-F198 WeakPolarHBondContact OE1-CE1 3.12Å; E97-G199 WeakPolarHBondContact OE2-CA 3.43Å; E97-G199 PolarHBondContact OE2-N 3.33Å; E97-H202 IonicContact OE1-CE1 3.7Å; E97-H202 IonicContact OE1-ND1 3.86Å; E97-H202 IonicContact OE2-CE1 3.52Å; E97-H202 IonicContact OE2-ND1 2.88Å; E97-H202 PolarHBondContact OE2-ND1 3.18Å
98I95.6Very high94.7Very high63 Ų6359.9 Ų59.932%0.32332%0.319SS..Hα-helixtrans-72.2-42.4175.6-64.7170.7000109.6M94 A101 T102M94-I98 HydrophobicContact CE-CD1 4.37Å; M94-I98 HydrophobicContact CG-CD1 3.99Å; M94-I98 WeakPolarHBondContact O-CG1 3.21Å; M94-I98 PolarHBondContact O-N 3.38Å; I98-A101 PolarHBondContact O-N 3.43Å; I98-T102 VanDerWaalsContact O-CB 3.25Å; I98-T102 WeakPolarHBondContact O-CB 3.25Å; I98-T102 PolarHBondContact O-N 2.83Å; I98-T102 PolarHBondContact O-OG1 3.36Å
99G96.4Very high94.3Very high37 Ų3757.8 Ų57.838%0.38130%0.303SS..Hα-helixtrans-62-48.6-179.200000112.7L95 I96 S103L95-G99 PolarHBondContact O-N 3.1Å; I96-G99 PolarHBondContact O-N 3Å; G99-S103 VanDerWaalsContact O-CB 3.27Å; G99-S103 WeakPolarHBondContact O-CB 3.05Å; G99-S103 PolarHBondContact O-N 3.48Å; G99-S103 PolarHBondContact O-OG 2.93Å; G99-S103 VanDerWaalsContact O-OG 3.04Å
100I95.6Very high94.2Very high12 Ų1265 Ų656%0.06234%0.335CS..Hα-helixtrans-65.4-41.5177.9-167.1-167.2000112I53 T56 A57 I96 E97 S103 S104 C195I53-I100 HydrophobicContact CB-CD1 4.28Å; I53-I100 HydrophobicContact CB-CG1 4.28Å; I53-I100 HydrophobicContact CG1-CD1 3.67Å; I53-I100 HydrophobicContact CG1-CG1 3.87Å; I53-I100 WeakPolarHBondContact O-CD1 3.3Å; T56-I100 WeakPolarHBondContact OG1-CD1 3.27Å; T56-I100 VanDerWaalsContact OG1-CG1 3.24Å; T56-I100 WeakPolarHBondContact OG1-CG1 3.32Å; A57-I100 HydrophobicContact CB-CD1 3.93Å; A57-I100 VanDerWaalsContact N-CD1 3.31Å; I96-I100 VanDerWaalsContact O-CB 3.28Å; I96-I100 WeakPolarHBondContact O-CB 3.5Å; I96-I100 WeakPolarHBondContact O-CG2 3.33Å; I96-I100 PolarHBondContact O-N 3.35Å; E97-I100 WeakPolarHBondContact O-CG2 3.36Å; I100-S103 WeakPolarHBondContact CA-OG 3.28Å; I100-S103 PolarHBondContact O-OG 3.4Å; I100-S103 VanDerWaalsContact O-OG 3.11Å; I100-S104 WeakPolarHBondContact O-CB 3.23Å; I100-S104 PolarHBondContact O-N 3.24Å; I100-S104 PolarHBondContact O-OG 2.96Å; I100-C195 HydrophobicContact CG2-CB 4.33Å
101A95.5Very high94.1Very high0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-68.1-41.4-179.200000110.7E97 I98 K105 I192 C195 F196E97-A101 WeakPolarHBondContact O-CB 3.33Å; E97-A101 PolarHBondContact O-N 2.97Å; I98-A101 PolarHBondContact O-N 3.43Å; A101-K105 WeakPolarHBondContact O-CB 3.47Å; A101-K105 PolarHBondContact O-N 3.26Å; A101-I192 HydrophobicContact CB-CG2 4.36Å; A101-C195 HydrophobicContact CB-CB 4.01Å; A101-F196 HydrophobicContact CB-CD1 4.08Å; A101-F196 HydrophobicContact CB-CD2 3.58Å; A101-F196 HydrophobicContact CB-CE1 3.99Å; A101-F196 HydrophobicContact CB-CE2 3.49Å; A101-F196 VanDerWaalsContact CB-CE2 3.49Å; A101-F196 HydrophobicContact CB-CG 3.86Å; A101-F196 HydrophobicContact CB-CZ 3.7Å
102T95.4Very high94Very high55 Ų5566.6 Ų66.634%0.33734%0.339SS..Hα-helixtrans-67.2-50.2176.6-54.20000111.4I98 S104 K105 L106I98-T102 VanDerWaalsContact O-CB 3.25Å; I98-T102 WeakPolarHBondContact O-CB 3.25Å; I98-T102 PolarHBondContact O-N 2.83Å; I98-T102 PolarHBondContact O-OG1 3.36Å; T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.13Å; T102-K105 PolarHBondContact O-N 3.44Å; T102-K105 VanDerWaalsContact O-N 3.16Å; T102-L106 HydrophobicContact CG2-CD1 3.74Å; T102-L106 HydrophobicContact CG2-CG 4.41Å; T102-L106 VanDerWaalsContact O-CG 3.32Å; T102-L106 WeakPolarHBondContact O-CG 3.38Å; T102-L106 PolarHBondContact O-N 2.77Å
103S95.3Very high93.9Very high48 Ų4867 Ų6734%0.33635%0.346SS..Hα-helixtrans-61.1-42.2179.266.90000111.2G99 I100 K105 L106 M107G99-S103 VanDerWaalsContact O-CB 3.27Å; G99-S103 WeakPolarHBondContact O-CB 3.05Å; G99-S103 PolarHBondContact O-N 3.48Å; G99-S103 PolarHBondContact O-OG 2.93Å; G99-S103 VanDerWaalsContact O-OG 3.04Å; I100-S103 WeakPolarHBondContact CA-OG 3.28Å; I100-S103 PolarHBondContact O-OG 3.4Å; I100-S103 VanDerWaalsContact O-OG 3.11Å; S103-K105 VanDerWaalsContact C-N 3.3Å; S103-K105 PolarHBondContact O-N 3.29Å; S103-L106 PolarHBondContact O-N 3.46Å; S103-M107 WeakPolarHBondContact O-CA 3.42Å; S103-M107 WeakPolarHBondContact O-CB 3.46Å; S103-M107 VanDerWaalsContact O-CG 3.25Å; S103-M107 WeakPolarHBondContact O-CG 3.49Å; S103-M107 PolarHBondContact O-N 2.83Å
104S94.4Very high93.9Very high7 Ų770.4 Ų70.45%0.04936%0.361CS..Hα-helixtrans-66.3-31.9177.9-60.10000112.8I53 I100 T102 K188I53-S104 WeakPolarHBondContact CB-OG 3.41Å; I53-S104 WeakPolarHBondContact CD1-OG 3.47Å; I100-S104 WeakPolarHBondContact O-CB 3.23Å; I100-S104 PolarHBondContact O-N 3.24Å; I100-S104 PolarHBondContact O-OG 2.96Å; T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.13Å; S104-K188 WeakPolarHBondContact O-CE 3.42Å; S104-K188 PolarHBondContact O-NZ 3.3Å
105K92.7Very high93.8Very high147 Ų14768.9 Ų68.964%0.63935%0.354SS*.Hα-helixtrans-72.6-37.6175.9-174.661.3175.4-176.60112.1A101 T102 S103A101-K105 WeakPolarHBondContact O-CB 3.47Å; A101-K105 PolarHBondContact O-N 3.26Å; T102-K105 PolarHBondContact O-N 3.44Å; T102-K105 VanDerWaalsContact O-N 3.16Å; S103-K105 VanDerWaalsContact C-N 3.3Å; S103-K105 PolarHBondContact O-N 3.29Å
106L92.9Very high93.8Very high139 Ų13966.2 Ų66.273%0.72834%0.339SS*.Hα-helixtrans-92-31.2-172.5-61.7177.6000113.6T102 S103T102-L106 HydrophobicContact CG2-CD1 3.74Å; T102-L106 HydrophobicContact CG2-CG 4.41Å; T102-L106 VanDerWaalsContact O-CG 3.32Å; T102-L106 WeakPolarHBondContact O-CG 3.38Å; T102-L106 PolarHBondContact O-N 2.77Å; S103-L106 PolarHBondContact O-N 3.46Å
107M89.4Confident93.8Very high125 Ų12572 Ų7262%0.61636%0.357SS*.SBendtrans-94.1137.1-174.2-59179.47300111.3S103S103-M107 WeakPolarHBondContact O-CA 3.42Å; S103-M107 WeakPolarHBondContact O-CB 3.46Å; S103-M107 VanDerWaalsContact O-CG 3.25Å; S103-M107 WeakPolarHBondContact O-CG 3.49Å; S103-M107 PolarHBondContact O-N 2.83Å
108K87.9Confident93.9Very high209 Ų20972.2 Ų72.291%0.90936%0.359SS*.PPolyproline II helixtrans-77.4129.6169.2-67.9-177.2180179.10109.2
109D85.5Confident94Very high31 Ų3169.2 Ų69.217%0.16634%0.344CS..PPolyproline II helixtrans-79.6136.7176.6-56.8-66.6000110.8P51 F111 K188P51-D109 HydrophobicContact CB-CB 4.3Å; P51-D109 HydrophobicContact CG-CB 4.15Å; D109-F111 HydrophobicContact CB-CB 4.33Å; D109-F111 PolarHBondContact O-N 2.9Å; D109-K188 IonicContact OD1-NZ 3.93Å; D109-K188 WeakPolarHBondContact OD2-CE 3.39Å; D109-K188 IonicContact OD2-NZ 2.64Å; D109-K188 PolarHBondContact OD2-NZ 2.05Å
110Q91.2Very high94.1Very high168 Ų16869.5 Ų69.579%0.78534%0.336SS*.THydrogen-bonded Turntrans-68.9-14.3173.5-66.5-175.4-39.100113F112 T113 E114Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.36Å; Q110-T113 PolarHBondContact O-N 3.46Å; Q110-E114 PolarHBondContact O-N 3.03Å
111F93Very high94.1Very high8 Ų873.7 Ų73.74%0.03536%0.357CS..Hα-helixtrans-51.1-45.3179.9176-94.5000112.3L39 L46 A48 T49 P51 D109 E114 A115 V184L39-F111 HydrophobicContact CD1-CE2 3.94Å; L39-F111 HydrophobicContact CD1-CZ 3.75Å; L46-F111 HydrophobicContact CD1-CZ 4.45Å; A48-F111 HydrophobicContact CB-CD2 3.72Å; A48-F111 HydrophobicContact CB-CE2 3.76Å; T49-F111 WeakPolarHBondContact O-CB 3.49Å; T49-F111 WeakPolarHBondContact O-CD2 3.46Å; P51-F111 HydrophobicContact CG-CB 3.85Å; P51-F111 HydrophobicContact CG-CG 4.17Å; D109-F111 HydrophobicContact CB-CB 4.33Å; D109-F111 PolarHBondContact O-N 2.9Å; F111-E114 PolarHBondContact O-N 3.31Å; F111-A115 HydrophobicContact CE1-CB 4.2Å; F111-A115 HydrophobicContact CZ-CB 4.26Å; F111-A115 WeakPolarHBondContact O-CB 3.38Å; F111-A115 PolarHBondContact O-N 2.95Å; F111-V184 HydrophobicContact CD1-CG1 4.32Å; F111-V184 HydrophobicContact CD1-CG2 3.96Å; F111-V184 HydrophobicContact CE1-CB 4.38Å; F111-V184 HydrophobicContact CE1-CG2 3.4Å; F111-V184 HydrophobicContact CZ-CG2 3.95Å
112F93.1Very high94.1Very high69 Ų6973.8 Ų73.830%0.30336%0.357SS..Hα-helixtrans-65-47-176.7178.8-109.6000111.8Q110 E114 A115 H116 A177 N181Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.36Å; F112-E114 VanDerWaalsContact C-N 3.34Å; F112-E114 PolarHBondContact O-N 3.24Å; F112-A115 PolarHBondContact O-N 3.15Å; F112-H116 WeakPolarHBondContact O-CB 3.47Å; F112-H116 PolarHBondContact O-N 3.49Å; F112-A177 HydrophobicContact CE2-CB 4.29Å; F112-N181 HydrophobicContact CD2-CB 3.62Å; F112-N181 HydrophobicContact CE2-CB 3.67Å
113T95.2Very high94.2Very high100 Ų10071.2 Ų71.261%0.61334%0.342SS*.Hα-helixtrans-62-42.7178.6-52.10000111.7Q110 R117Q110-T113 PolarHBondContact O-N 3.46Å; T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.12Å
114E95.5Very high94.3Very high71 Ų7174.2 Ų74.233%0.33235%0.349SS..Hα-helixtrans-71.1-43.2-179.8-170.555.9-140.600112.1A48 Q110 F111 F112 H116 R117 S118A48-E114 HydrophobicContact CB-CB 3.96Å; A48-E114 HydrophobicContact CB-CG 3.94Å; Q110-E114 PolarHBondContact O-N 3.03Å; F111-E114 PolarHBondContact O-N 3.31Å; F112-E114 VanDerWaalsContact C-N 3.34Å; F112-E114 PolarHBondContact O-N 3.24Å; E114-H116 VanDerWaalsContact C-N 3.34Å; E114-H116 PolarHBondContact O-N 3.44Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-S118 VanDerWaalsContact O-CB 3.32Å; E114-S118 WeakPolarHBondContact O-CB 3.44Å; E114-S118 PolarHBondContact O-N 2.92Å; E114-S118 PolarHBondContact O-OG 3.42Å; E114-S118 PolarHBondContact OE1-OG 3.02Å
115A96Very high94.4Very high1 Ų176.1 Ų76.11%0.00836%0.36CS..Hα-helixtrans-61.8-44176.400000111L46 A48 F111 F112 S118 L119L46-A115 HydrophobicContact CD2-CB 4.27Å; A48-A115 HydrophobicContact CB-CB 3.99Å; F111-A115 HydrophobicContact CE1-CB 4.2Å; F111-A115 HydrophobicContact CZ-CB 4.26Å; F111-A115 WeakPolarHBondContact O-CB 3.38Å; F111-A115 PolarHBondContact O-N 2.95Å; F112-A115 PolarHBondContact O-N 3.15Å; A115-S118 PolarHBondContact O-N 2.94Å; A115-L119 WeakPolarHBondContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.34Å
116H97.2Very high94.6Very high52 Ų5269.3 Ų69.324%0.24133%0.33CS..Hα-helixtrans-59-49.7176.3179.3-87.3000112F112 E114 S118 L119 N120 D149 A177F112-H116 WeakPolarHBondContact O-CB 3.47Å; F112-H116 PolarHBondContact O-N 3.49Å; E114-H116 VanDerWaalsContact C-N 3.34Å; E114-H116 PolarHBondContact O-N 3.44Å; H116-S118 PolarHBondContact O-N 3.34Å; H116-L119 PolarHBondContact O-N 2.95Å; H116-N120 PolarHBondContact CE1-ND2 2.93Å; H116-N120 PolarHBondContact ND1-ND2 3.35Å; H116-N120 PolarHBondContact NE2-ND2 3.47Å; H116-N120 WeakPolarHBondContact O-CB 3.07Å; H116-N120 PolarHBondContact O-N 2.82Å; H116-N120 PolarHBondContact O-ND2 2.89Å; H116-D149 IonicContact CD2-OD1 3.29Å; H116-D149 PolarHBondContact CD2-OD1 3.41Å; H116-D149 VanDerWaalsContact CD2-OD1 3.29Å; H116-D149 IonicContact CD2-OD2 3.99Å; H116-D149 IonicContact CE1-OD1 3.87Å; H116-D149 IonicContact CE1-OD2 3.48Å; H116-D149 PolarHBondContact CE1-OD2 3.43Å; H116-D149 IonicContact NE2-OD1 2.68Å; H116-D149 PolarHBondContact NE2-OD1 3.1Å; H116-D149 IonicContact NE2-OD2 2.9Å; H116-D149 PolarHBondContact NE2-OD2 2.95Å; H116-A177 HydrophobicContact CB-CB 4.2Å
117R97.2Very high94.7Very high170 Ų17068.1 Ų68.164%0.64232%0.316SS*.Hα-helixtrans-59.2-45.9177.5-176.6-176.4178.8106.30.1111.7T113 E114 N120 M121T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.12Å; E114-R117 PolarHBondContact O-N 3.36Å; R117-N120 WeakPolarHBondContact O-CB 3.42Å; R117-N120 PolarHBondContact O-N 3.33Å; R117-M121 WeakPolarHBondContact O-CG 3.19Å; R117-M121 PolarHBondContact O-N 2.9Å
118S97Very high95Very high5 Ų567.6 Ų67.64%0.03532%0.32CS..Hα-helixtrans-72-35.9-176.7-65.20000112.9I45 L46 E114 A115 H116 M121 S122I45-S118 CarbonylContact O-C 3.46Å; I45-S118 VanDerWaalsContact O-CB 3.27Å; I45-S118 WeakPolarHBondContact O-CB 3.5Å; L46-S118 VanDerWaalsContact C-CB 3.48Å; L46-S118 WeakPolarHBondContact O-CB 3.33Å; L46-S118 PolarHBondContact O-OG 3.21Å; L46-S118 VanDerWaalsContact O-OG 3.08Å; E114-S118 VanDerWaalsContact O-CB 3.32Å; E114-S118 WeakPolarHBondContact O-CB 3.44Å; E114-S118 PolarHBondContact O-N 2.92Å; E114-S118 PolarHBondContact O-OG 3.42Å; E114-S118 PolarHBondContact OE1-OG 3.02Å; A115-S118 PolarHBondContact O-N 2.94Å; H116-S118 PolarHBondContact O-N 3.34Å; S118-M121 PolarHBondContact O-N 2.98Å; S118-S122 WeakPolarHBondContact O-CB 3.4Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 2.97Å
119L97.7Very high95.4Very high0 Ų060.4 Ų60.40%029%0.292CS..Hα-helixtrans-63.6-43.3170.7-73.6172.8000111.1I45 L46 A115 H116 M121 S122 V123 F136 A148 C176 A177 L180I45-L119 HydrophobicContact CD1-CD2 4.36Å; L46-L119 HydrophobicContact CD2-CD1 4.18Å; L46-L119 HydrophobicContact CD2-CD2 3.85Å; L46-L119 HydrophobicContact CD2-CG 3.89Å; A115-L119 WeakPolarHBondContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.34Å; H116-L119 PolarHBondContact O-N 2.95Å; L119-M121 VanDerWaalsContact C-N 3.27Å; L119-M121 PolarHBondContact O-N 3.04Å; L119-S122 CarbonylContact O-C 3.02Å; L119-S122 WeakPolarHBondContact O-CA 2.94Å; L119-S122 WeakPolarHBondContact O-CB 3.15Å; L119-S122 PolarHBondContact O-N 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.1Å; L119-V123 PolarHBondContact O-N 3.21Å; L119-F136 HydrophobicContact CB-CZ 4.5Å; L119-F136 HydrophobicContact CD2-CD2 4.48Å; L119-F136 HydrophobicContact CD2-CE1 4.39Å; L119-F136 HydrophobicContact CD2-CE2 3.8Å; L119-F136 HydrophobicContact CD2-CZ 3.75Å; L119-A148 HydrophobicContact CB-CB 3.74Å; L119-C176 HydrophobicContact CD1-CB 4.03Å; L119-A177 HydrophobicContact CD1-CB 4.09Å; L119-L180 HydrophobicContact CD1-CD1 3.89Å
120N97.6Very high95.9Very high43 Ų4364.3 Ų64.323%0.2331%0.312CS..Hα-helixtrans-59.3-38.1175.2-97.5-53.4000112.5H116 R117 A148 D149H116-N120 PolarHBondContact CE1-ND2 2.93Å; H116-N120 PolarHBondContact ND1-ND2 3.35Å; H116-N120 PolarHBondContact NE2-ND2 3.47Å; H116-N120 WeakPolarHBondContact O-CB 3.07Å; H116-N120 PolarHBondContact O-N 2.82Å; H116-N120 PolarHBondContact O-ND2 2.89Å; R117-N120 WeakPolarHBondContact O-CB 3.42Å; R117-N120 PolarHBondContact O-N 3.33Å; N120-A148 HydrophobicContact CB-CB 4.25Å; N120-D149 PolarHBondContact ND2-OD2 3.26Å
121M96.3Very high96.1Very high100 Ų10058.8 Ų58.849%0.49329%0.291SS..Hα-helixtrans-69.3-38.9172.4-70.2-59.9-64.600112.3R117 S118 L119 V123 K124 T125R117-M121 WeakPolarHBondContact O-CG 3.19Å; R117-M121 PolarHBondContact O-N 2.9Å; S118-M121 PolarHBondContact O-N 2.98Å; L119-M121 VanDerWaalsContact C-N 3.27Å; L119-M121 PolarHBondContact O-N 3.04Å; M121-V123 VanDerWaalsContact C-N 3.31Å; M121-V123 PolarHBondContact O-N 3.37Å; M121-K124 WeakPolarHBondContact O-CB 3.34Å; M121-K124 PolarHBondContact O-N 3.36Å; M121-K124 HydrophobicContact SD-CD 4.13Å; M121-T125 PolarHBondContact O-N 2.72Å; M121-T125 PolarHBondContact O-OG1 3.26Å
122S96.4Very high96.2Very high1 Ų160.7 Ų60.71%0.00730%0.299CS..Hα-helixtrans-65.7-32.3178.2-61.20000112.5I45 S118 L119 T125 Y126 Y132I45-S122 PolarHBondContact O-OG 3.34Å; S118-S122 WeakPolarHBondContact O-CB 3.4Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 2.97Å; L119-S122 CarbonylContact O-C 3.02Å; L119-S122 WeakPolarHBondContact O-CA 2.94Å; L119-S122 WeakPolarHBondContact O-CB 3.15Å; L119-S122 PolarHBondContact O-N 3.46Å; S122-T125 PolarHBondContact O-N 3.03Å; S122-Y126 WeakPolarHBondContact O-CA 3.24Å; S122-Y126 WeakPolarHBondContact O-CB 3.46Å; S122-Y126 PolarHBondContact O-N 3.16Å; S122-Y132 WeakPolarHBondContact OG-CD1 3.27Å
123V97.5Very high96.4Very high2 Ų259.4 Ų59.41%0.01229%0.294CS..Hα-helixtrans-62.2-46.3172.3171.60000109.9L119 M121 T125 Y126 F136 A148 D153 Y154 V157 Q159L119-V123 WeakPolarHBondContact O-CG2 3.1Å; L119-V123 PolarHBondContact O-N 3.21Å; M121-V123 VanDerWaalsContact C-N 3.31Å; M121-V123 PolarHBondContact O-N 3.37Å; V123-T125 VanDerWaalsContact C-N 3.28Å; V123-T125 PolarHBondContact O-N 2.86Å; V123-Y126 VanDerWaalsContact O-CB 3.24Å; V123-Y126 WeakPolarHBondContact O-CB 3.25Å; V123-Y126 PolarHBondContact O-N 3.39Å; V123-F136 HydrophobicContact CG2-CE1 3.66Å; V123-F136 HydrophobicContact CG2-CZ 3.89Å; V123-A148 HydrophobicContact CG2-CB 4.33Å; V123-D153 HydrophobicContact CG1-CB 3.98Å; V123-D153 HydrophobicContact CG2-CB 4.4Å; V123-Y154 HydrophobicContact CG1-CD1 3.86Å; V123-Y154 HydrophobicContact CG1-CE1 3.9Å; V123-Y154 HydrophobicContact CG1-CG 4.28Å; V123-V157 HydrophobicContact CG1-CG2 4.22Å; V123-Q159 PolarHBondContact O-OE1 3.04Å
124K96.8Very high96.5Very high111 Ų11159.4 Ų59.448%0.48329%0.288SS..Hα-helixtrans-60.4-37.2-178.6-66.5170.5-174177.40112.8M121 V157 Q159M121-K124 WeakPolarHBondContact O-CB 3.34Å; M121-K124 PolarHBondContact O-N 3.36Å; M121-K124 HydrophobicContact SD-CD 4.13Å; K124-V157 HydrophobicContact CG-CG1 3.92Å; K124-Q159 PolarHBondContact O-NE2 2.99Å
125T95.6Very high96.6Very high47 Ų4756.6 Ų56.629%0.28828%0.275SS..THydrogen-bonded Turntrans-98.36.8-177.757.10000113.6M121 S122 V123 W127 T128 N129M121-T125 PolarHBondContact O-N 2.72Å; M121-T125 PolarHBondContact O-OG1 3.26Å; S122-T125 PolarHBondContact O-N 3.03Å; V123-T125 VanDerWaalsContact C-N 3.28Å; V123-T125 PolarHBondContact O-N 2.86Å; T125-W127 PolarHBondContact O-N 2.99Å; T125-T128 WeakPolarHBondContact CA-OG1 2.82Å; T125-T128 PolarHBondContact O-N 3.43Å; T125-T128 VanDerWaalsContact O-N 3.08Å; T125-T128 PolarHBondContact O-OG1 3.18Å; T125-N129 PolarHBondContact O-N 2.92Å
126Y97Very high96.7Very high4 Ų456.6 Ų56.62%0.01627%0.274CS..THydrogen-bonded Turntrans-55-47.8-173.1174.9-85.3000112.5S122 V123 Q133 F136 D137 Y154 P162S122-Y126 WeakPolarHBondContact O-CA 3.24Å; S122-Y126 WeakPolarHBondContact O-CB 3.46Å; S122-Y126 PolarHBondContact O-N 3.16Å; V123-Y126 VanDerWaalsContact O-CB 3.24Å; V123-Y126 WeakPolarHBondContact O-CB 3.25Å; V123-Y126 PolarHBondContact O-N 3.39Å; Y126-Q133 HydrophobicContact CD1-CG 4.45Å; Y126-Q133 HydrophobicContact CD2-CG 4.37Å; Y126-Q133 HydrophobicContact CE1-CG 3.86Å; Y126-Q133 HydrophobicContact CE2-CB 4.49Å; Y126-Q133 HydrophobicContact CE2-CG 3.79Å; Y126-Q133 VanDerWaalsContact CZ-CG 3.49Å; Y126-Q133 WeakPolarHBondContact O-CB 3.41Å; Y126-F136 HydrophobicContact CD2-CB 4.25Å; Y126-F136 HydrophobicContact CD2-CD1 4.14Å; Y126-F136 HydrophobicContact CD2-CG 4.45Å; Y126-F136 HydrophobicContact CE2-CB 4.37Å; Y126-D137 PolarHBondContact OH-OD1 3.18Å; Y126-D137 PolarHBondContact OH-OD2 3.18Å; Y126-Y154 HydrophobicContact CD1-CE1 4.09Å; Y126-Y154 HydrophobicContact CD2-CE1 4.25Å; Y126-Y154 AromaticContact CG-CE1 3.83Å; Y126-Y154 HydrophobicContact CG-CE1 3.83Å; Y126-P162 HydrophobicContact CD1-CG 4.06Å; Y126-P162 HydrophobicContact CD2-CG 4.36Å; Y126-P162 HydrophobicContact CE1-CB 4.11Å; Y126-P162 HydrophobicContact CE1-CG 3.48Å; Y126-P162 VanDerWaalsContact CE1-CG 3.48Å; Y126-P162 HydrophobicContact CE2-CB 4.29Å; Y126-P162 HydrophobicContact CE2-CG 3.79Å; Y126-P162 HydrophobicContact CG-CG 4.49Å; Y126-P162 WeakPolarHBondContact OH-CB 3.16Å
127W96.1Very high96.7Very high113 Ų11355.6 Ų55.643%0.42827%0.271SS..THydrogen-bonded Turntrans-84.6-7.1-178.9-67.4106.7000114.5T125 L160T125-W127 PolarHBondContact O-N 2.99Å; W127-L160 HydrophobicContact CZ2-CB 4.17Å; W127-L160 PolarHBondContact NE1-O 2.58Å; W127-L160 VanDerWaalsContact NE1-O 3.13Å
128T96.2Very high96.7Very high115 Ų11551.3 Ų51.371%0.70626%0.261SS*.THydrogen-bonded Turntrans-107.5-18.5-177.757.90000113T125T125-T128 WeakPolarHBondContact CA-OG1 2.82Å; T125-T128 PolarHBondContact O-N 3.43Å; T125-T128 VanDerWaalsContact O-N 3.08Å; T125-T128 PolarHBondContact O-OG1 3.18Å
129N96.4Very high96.8Very high58 Ų5851.1 Ų51.131%0.3126%0.259SS..  trans-122.7100.9-179.3-170.4-37.8000111T125 C131 Y132 Q133T125-N129 PolarHBondContact O-N 2.92Å; N129-C131 PolarHBondContact O-N 3.43Å; N129-C131 WeakPolarHBondContact OD1-CB 3.48Å; N129-C131 PolarHBondContact OD1-N 3.36Å; N129-C131 VanDerWaalsContact OD1-N 3.07Å; N129-Y132 HydrophobicContact CB-CD2 4.06Å; N129-Y132 HydrophobicContact CB-CG 4.32Å; N129-Y132 VanDerWaalsContact ND2-CD2 3.25Å; N129-Y132 WeakPolarHBondContact ND2-CD2 3.32Å; N129-Y132 WeakPolarHBondContact ND2-CE2 3.26Å; N129-Y132 PolarHBondContact O-N 3.39Å; N129-Y132 WeakPolarHBondContact OD1-CD2 3.18Å; N129-Y132 PolarHBondContact OD1-N 3.1Å; N129-Q133 PolarHBondContact O-N 3.06Å
130L95.8Very high96.8Very high112 Ų11251.1 Ų51.159%0.58626%0.259SS*.Hα-helixtrans-57-34.5-178.6-174.164.3000113.2Q133 M134L130-Q133 WeakPolarHBondContact O-CB 3.49Å; L130-Q133 PolarHBondContact O-N 2.98Å; L130-M134 HydrophobicContact CG-CE 4.26Å; L130-M134 WeakPolarHBondContact O-CE 3.42Å; L130-M134 WeakPolarHBondContact O-CG 3.38Å; L130-M134 PolarHBondContact O-N 3.38Å
131C94.8Very high96.8Very high52 Ų5254.8 Ų54.835%0.35127%0.273SS..Hα-helixtrans-67.6-41.1177.9-71.40000112N129 E135N129-C131 PolarHBondContact O-N 3.43Å; N129-C131 WeakPolarHBondContact OD1-CB 3.48Å; N129-C131 PolarHBondContact OD1-N 3.36Å; N129-C131 VanDerWaalsContact OD1-N 3.07Å; C131-E135 PolarHBondContact O-N 3.48Å
132Y95.4Very high96.9Very high49 Ų4953.2 Ų53.219%0.19227%0.269CS..Hα-helixtrans-68.2-42.7175-79.7-116.7000110.1I45 Q47 S122 N129 M134 E135 F136I45-Y132 HydrophobicContact CB-CD1 4.47Å; I45-Y132 HydrophobicContact CG2-CD1 3.76Å; I45-Y132 HydrophobicContact CG2-CE1 4.41Å; I45-Y132 HydrophobicContact CG2-CG 4.12Å; Q47-Y132 PolarHBondContact NE2-OH 3.46Å; S122-Y132 WeakPolarHBondContact OG-CD1 3.27Å; N129-Y132 HydrophobicContact CB-CD2 4.06Å; N129-Y132 HydrophobicContact CB-CG 4.32Å; N129-Y132 VanDerWaalsContact ND2-CD2 3.25Å; N129-Y132 WeakPolarHBondContact ND2-CD2 3.32Å; N129-Y132 WeakPolarHBondContact ND2-CE2 3.26Å; N129-Y132 PolarHBondContact O-N 3.39Å; N129-Y132 WeakPolarHBondContact OD1-CD2 3.18Å; N129-Y132 PolarHBondContact OD1-N 3.1Å; Y132-M134 PolarHBondContact O-N 2.8Å; Y132-E135 PolarHBondContact O-N 2.91Å; Y132-F136 VanDerWaalsContact O-CB 3.23Å; Y132-F136 WeakPolarHBondContact O-CB 3.44Å; Y132-F136 PolarHBondContact O-N 3.3Å
133Q97.2Very high96.9Very high41 Ų4155.2 Ų55.219%0.19228%0.278CS..Hα-helixtrans-53.7-54.1177.8-165.3-175-6.900112.1Y126 N129 L130 E135 F136 D137Y126-Q133 HydrophobicContact CD1-CG 4.45Å; Y126-Q133 HydrophobicContact CD2-CG 4.37Å; Y126-Q133 HydrophobicContact CE1-CG 3.86Å; Y126-Q133 HydrophobicContact CE2-CB 4.49Å; Y126-Q133 HydrophobicContact CE2-CG 3.79Å; Y126-Q133 VanDerWaalsContact CZ-CG 3.49Å; Y126-Q133 WeakPolarHBondContact O-CB 3.41Å; N129-Q133 PolarHBondContact O-N 3.06Å; L130-Q133 WeakPolarHBondContact O-CB 3.49Å; L130-Q133 PolarHBondContact O-N 2.98Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.43Å; Q133-F136 PolarHBondContact O-N 2.96Å; Q133-D137 VanDerWaalsContact O-CB 3.27Å; Q133-D137 WeakPolarHBondContact O-CB 3.45Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.46Å
134M97.1Very high96.9Very high101 Ų10160.2 Ų60.250%0.49830%0.301SS..Hα-helixtrans-60.6-41.2-178.6-70.4-176.9-6600112.7L130 Y132 N138L130-M134 HydrophobicContact CG-CE 4.26Å; L130-M134 WeakPolarHBondContact O-CE 3.42Å; L130-M134 WeakPolarHBondContact O-CG 3.38Å; L130-M134 PolarHBondContact O-N 3.38Å; Y132-M134 PolarHBondContact O-N 2.8Å; M134-N138 PolarHBondContact O-N 3.41Å; M134-N138 VanDerWaalsContact O-N 3.15Å
135E97.3Very high97Very high12 Ų1255 Ų556%0.05628%0.278CS..Hα-helixtrans-73.1-39.8-178-167.6164.1129.700111.8G41 Y42 K43 R44 I45 C131 Y132 Q133 N138 L139G41-E135 VanDerWaalsContact O-CD 3.26Å; G41-E135 VanDerWaalsContact O-CG 3.27Å; G41-E135 WeakPolarHBondContact O-CG 3.38Å; Y42-E135 WeakPolarHBondContact CA-OE1 3.47Å; Y42-E135 HydrophobicContact CD1-CG 4.13Å; K43-E135 PolarHBondContact N-OE1 3.34Å; R44-E135 WeakPolarHBondContact CA-OE1 3.34Å; R44-E135 WeakPolarHBondContact CB-OE1 3.18Å; R44-E135 IonicContact CZ-OE2 3.23Å; R44-E135 VanDerWaalsContact CZ-OE2 3.23Å; R44-E135 PolarHBondContact N-OE1 2.73Å; R44-E135 IonicContact NE-OE2 2.72Å; R44-E135 PolarHBondContact NE-OE2 3.3Å; R44-E135 IonicContact NH2-OE2 2.86Å; R44-E135 PolarHBondContact NH2-OE2 2.86Å; I45-E135 HydrophobicContact CD1-CG 4.06Å; I45-E135 HydrophobicContact CG1-CG 4.11Å; I45-E135 HydrophobicContact CG2-CB 3.93Å; I45-E135 HydrophobicContact CG2-CG 4.08Å; I45-E135 PolarHBondContact N-OE1 3.15Å; I45-E135 VanDerWaalsContact N-OE1 3.15Å; C131-E135 PolarHBondContact O-N 3.48Å; Y132-E135 PolarHBondContact O-N 2.91Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.43Å; E135-N138 PolarHBondContact O-N 3.19Å; E135-L139 PolarHBondContact O-N 3.42Å
136F97.7Very high97.1Very high0 Ų052.7 Ų52.70%027%0.265CS..Hα-helixtrans-71.1-38.3177.2-149.4164.1000110.9I45 L119 V123 Y126 Y132 Q133 N138 L139 Q140 C176I45-F136 HydrophobicContact CD1-CB 4.19Å; I45-F136 HydrophobicContact CD1-CD2 4.25Å; I45-F136 HydrophobicContact CD1-CG 4.26Å; L119-F136 HydrophobicContact CB-CZ 4.5Å; L119-F136 HydrophobicContact CD2-CD2 4.48Å; L119-F136 HydrophobicContact CD2-CE1 4.39Å; L119-F136 HydrophobicContact CD2-CE2 3.8Å; L119-F136 HydrophobicContact CD2-CZ 3.75Å; V123-F136 HydrophobicContact CG2-CE1 3.66Å; V123-F136 HydrophobicContact CG2-CZ 3.89Å; Y126-F136 HydrophobicContact CD2-CB 4.25Å; Y126-F136 HydrophobicContact CD2-CD1 4.14Å; Y126-F136 HydrophobicContact CD2-CG 4.45Å; Y126-F136 HydrophobicContact CE2-CB 4.37Å; Y132-F136 VanDerWaalsContact O-CB 3.23Å; Y132-F136 WeakPolarHBondContact O-CB 3.44Å; Y132-F136 PolarHBondContact O-N 3.3Å; Q133-F136 PolarHBondContact O-N 2.96Å; F136-N138 VanDerWaalsContact C-N 3.3Å; F136-N138 PolarHBondContact O-N 3.33Å; F136-L139 HydrophobicContact CD2-CB 4.43Å; F136-L139 HydrophobicContact CD2-CD2 4.28Å; F136-L139 HydrophobicContact CE2-CD2 4.23Å; F136-L139 WeakPolarHBondContact O-CB 3.44Å; F136-L139 PolarHBondContact O-N 3Å; F136-L139 VanDerWaalsContact O-N 3.13Å; F136-Q140 HydrophobicContact CD2-CG 3.82Å; F136-Q140 HydrophobicContact CE2-CG 4Å; F136-Q140 WeakPolarHBondContact O-CB 3.48Å; F136-Q140 WeakPolarHBondContact O-CG 3.39Å; F136-Q140 PolarHBondContact O-N 3.07Å; F136-C176 HydrophobicContact CE2-CB 4.22Å
137D98.2Very high97.2Very high31 Ų3152.5 Ų52.517%0.16626%0.264CS..Hα-helixtrans-57.3-44.6171.7-83.5-12.6000112.1Y126 Q133 L139 K141 S164Y126-D137 PolarHBondContact OH-OD1 3.18Å; Y126-D137 PolarHBondContact OH-OD2 3.18Å; Q133-D137 VanDerWaalsContact O-CB 3.27Å; Q133-D137 WeakPolarHBondContact O-CB 3.45Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.46Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-K141 WeakPolarHBondContact O-CB 3.45Å; D137-K141 VanDerWaalsContact O-CG 3.27Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 2.84Å; D137-S164 WeakPolarHBondContact OD1-CB 3.44Å; D137-S164 PolarHBondContact OD1-OG 2.74Å
138N97.6Very high97.2Very high81 Ų8147.1 Ų47.143%0.43324%0.243SC..Hα-helixtrans-63.9-41.9176.2-173.246.4000111.3Y42 M134 E135 F136 T142Y42-N138 HydrophobicContact CE1-CB 4.34Å; Y42-N138 WeakPolarHBondContact CE1-ND2 3.46Å; M134-N138 PolarHBondContact O-N 3.41Å; M134-N138 VanDerWaalsContact O-N 3.15Å; E135-N138 PolarHBondContact O-N 3.19Å; F136-N138 VanDerWaalsContact C-N 3.3Å; F136-N138 PolarHBondContact O-N 3.33Å; N138-T142 WeakPolarHBondContact O-CB 3.42Å; N138-T142 PolarHBondContact O-N 3.47Å; N138-T142 PolarHBondContact O-OG1 2.91Å
139L98Very high97.3Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-62.1-49.7178-171.3145.1000111.5Y42 I45 L46 E135 F136 D137 K141 T142 F143 C145 C176 L180Y42-L139 HydrophobicContact CD1-CB 3.75Å; Y42-L139 HydrophobicContact CD1-CD1 3.85Å; Y42-L139 HydrophobicContact CD1-CG 4.2Å; Y42-L139 HydrophobicContact CD2-CD1 4.29Å; Y42-L139 HydrophobicContact CE1-CB 3.65Å; Y42-L139 HydrophobicContact CE1-CD1 4.35Å; Y42-L139 HydrophobicContact CE1-CG 4.24Å; Y42-L139 HydrophobicContact CG-CD1 3.8Å; I45-L139 HydrophobicContact CD1-CB 4.1Å; I45-L139 HydrophobicContact CD1-CD1 3.69Å; I45-L139 HydrophobicContact CD1-CG 4.44Å; L46-L139 HydrophobicContact CD2-CD1 4.4Å; E135-L139 PolarHBondContact O-N 3.42Å; F136-L139 HydrophobicContact CD2-CB 4.43Å; F136-L139 HydrophobicContact CD2-CD2 4.28Å; F136-L139 HydrophobicContact CE2-CD2 4.23Å; F136-L139 WeakPolarHBondContact O-CB 3.44Å; F136-L139 PolarHBondContact O-N 3Å; F136-L139 VanDerWaalsContact O-N 3.13Å; D137-L139 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.25Å; L139-T142 PolarHBondContact O-N 3.49Å; L139-F143 HydrophobicContact CG-CD2 4.07Å; L139-F143 WeakPolarHBondContact O-CD2 3.5Å; L139-F143 PolarHBondContact O-N 2.72Å; L139-C145 VanDerWaalsContact CD2-SG 3.54Å; L139-C176 HydrophobicContact CD2-CB 3.48Å; L139-C176 VanDerWaalsContact CD2-CB 3.48Å; L139-C176 WeakPolarHBondContact CD2-SG 3.37Å; L139-L180 HydrophobicContact CD1-CD1 4.16Å; L139-L180 HydrophobicContact CD1-CD2 4.37Å
140Q98.3Very high97.4Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-62-42.7-178.9-70.5-174.2138.100112.1F136 H144 C145 Y154 S164 C165F136-Q140 HydrophobicContact CD2-CG 3.82Å; F136-Q140 HydrophobicContact CE2-CG 4Å; F136-Q140 WeakPolarHBondContact O-CB 3.48Å; F136-Q140 WeakPolarHBondContact O-CG 3.39Å; F136-Q140 PolarHBondContact O-N 3.07Å; Q140-H144 WeakPolarHBondContact O-CA 3.46Å; Q140-H144 PolarHBondContact O-N 2.65Å; Q140-C145 WeakPolarHBondContact CA-O 3.32Å; Q140-C145 VanDerWaalsContact CB-O 3.27Å; Q140-C145 WeakPolarHBondContact CB-O 3.35Å; Q140-C145 WeakPolarHBondContact CG-O 3.45Å; Q140-C145 PolarHBondContact O-N 3.11Å; Q140-Y154 PolarHBondContact OE1-OH 3.42Å; Q140-S164 PolarHBondContact NE2-OG 3.26Å; Q140-C165 HydrophobicContact CB-CB 3.91Å; Q140-C165 HydrophobicContact CG-CB 4.15Å
141K97.5Very high97.4Very high120 Ų12039.2 Ų39.252%0.52220%0.201SC..Hα-helixtrans-66.2-42.6175.2-71.5173.5-174.7172.90112.3D137 L139 S164D137-K141 WeakPolarHBondContact O-CB 3.45Å; D137-K141 VanDerWaalsContact O-CG 3.27Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 2.84Å; L139-K141 PolarHBondContact O-N 3.25Å; K141-S164 VanDerWaalsContact CG-O 3.24Å; K141-S164 WeakPolarHBondContact CG-O 3.23Å
142T97.1Very high97.5Very high67 Ų6741 Ų4141%0.41121%0.207SC..Hα-helixtrans-69.8-38.6-174.9-60.60000112.1Y42 N138 L139Y42-T142 PolarHBondContact OH-OG1 3.38Å; N138-T142 WeakPolarHBondContact O-CB 3.42Å; N138-T142 PolarHBondContact O-N 3.47Å; N138-T142 PolarHBondContact O-OG1 2.91Å; L139-T142 PolarHBondContact O-N 3.49Å
143F97.1Very high97.6Very high44 Ų4439.4 Ų39.419%0.19320%0.202CC..Hα-helixtrans-109.47.8-173.9-63.3-70.5000114.1Y42 L139 C145 A179 L180 L183Y42-F143 AromaticContact CE2-CE2 3.68Å; Y42-F143 HydrophobicContact CE2-CE2 3.68Å; Y42-F143 HydrophobicContact CE2-CZ 4.3Å; Y42-F143 AromaticContact CZ-CE2 3.88Å; L139-F143 HydrophobicContact CG-CD2 4.07Å; L139-F143 WeakPolarHBondContact O-CD2 3.5Å; L139-F143 PolarHBondContact O-N 2.72Å; F143-C145 PolarHBondContact O-N 2.86Å; F143-A179 HydrophobicContact CB-CB 4.12Å; F143-L180 HydrophobicContact CE2-CD2 4.47Å; F143-L183 HydrophobicContact CE1-CD1 4.2Å; F143-L183 HydrophobicContact CE1-CD2 3.6Å; F143-L183 HydrophobicContact CE1-CG 4.39Å; F143-L183 HydrophobicContact CZ-CD2 3.63Å
144H97.8Very high97.6Very high107 Ų10737.4 Ų37.450%0.49519%0.193SC..THydrogen-bonded Turntrans49.348.3179.3-56.6-64.9000112.2Q140 Y172Q140-H144 WeakPolarHBondContact O-CA 3.46Å; Q140-H144 PolarHBondContact O-N 2.65Å; H144-Y172 VanDerWaalsContact C-CD2 3.41Å; H144-Y172 HydrophobicContact CB-CD1 3.86Å; H144-Y172 HydrophobicContact CB-CD2 4.43Å; H144-Y172 HydrophobicContact CB-CE1 3.65Å; H144-Y172 HydrophobicContact CB-CE2 4.27Å; H144-Y172 HydrophobicContact CB-CG 4.26Å; H144-Y172 AromaticContact ND1-CE1 3.69Å; H144-Y172 AromaticContact ND1-CZ 3.38Å; H144-Y172 PolarHBondContact ND1-OH 2.92Å; H144-Y172 VanDerWaalsContact O-CB 3.27Å; H144-Y172 WeakPolarHBondContact O-CB 3.22Å; H144-Y172 VanDerWaalsContact O-CG 3.25Å
145C98.3Very high97.5Very high0 Ų035.8 Ų35.80%019%0.191CC..  trans-123.8159.8-179.266.10000110.5L139 Q140 F143 C165 L174 C176 A179L139-C145 VanDerWaalsContact CD2-SG 3.54Å; Q140-C145 WeakPolarHBondContact CA-O 3.32Å; Q140-C145 VanDerWaalsContact CB-O 3.27Å; Q140-C145 WeakPolarHBondContact CB-O 3.35Å; Q140-C145 WeakPolarHBondContact CG-O 3.45Å; Q140-C145 PolarHBondContact O-N 3.11Å; F143-C145 PolarHBondContact O-N 2.86Å; C145-C165 WeakPolarHBondContact O-CB 3.15Å; C145-L174 CarbonylContact C-O 3.54Å; C145-L174 WeakPolarHBondContact CA-O 3.39Å; C145-L174 VanDerWaalsContact CB-O 3.26Å; C145-L174 WeakPolarHBondContact CB-O 3.4Å; C145-C176 VanDerWaalsContact C-SG 3.57Å; C145-C176 HydrophobicContact CB-CB 3.94Å; C145-C176 WeakPolarHBondContact CB-SG 3.35Å; C145-C176 WeakPolarHBondContact SG-CA 3.48Å; C145-C176 WeakPolarHBondContact SG-CB 3.36Å; C145-C176 CovalentContact SG-SG 2.05Å; C145-C176 PolarHBondContact SG-SG 3.46Å; C145-A179 HydrophobicContact CB-CB 3.91Å
146C98.3Very high97.4Very high0 Ų042.2 Ų42.20%022%0.221CC..  trans-138.4132.3175.7-165.20000111.9S150 S151 C165 L174C146-S150 CarbonylContact O-C 3.5Å; C146-S150 WeakPolarHBondContact O-CA 3.45Å; C146-S151 PolarHBondContact O-N 2.73Å; C146-C165 HydrophobicContact CB-CB 3.37Å; C146-C165 WeakPolarHBondContact CB-SG 3.26Å; C146-C165 WeakPolarHBondContact SG-CB 3.07Å; C146-C165 CovalentContact SG-SG 2.05Å; C146-C165 PolarHBondContact SG-SG 3.26Å; C146-L174 PolarHBondContact N-O 3.14Å
147G97.9Very high97.3Very high0 Ų044.6 Ų44.60%024%0.235CC..SBendtrans68.7-171-176.900000112.8C176G147-C176 WeakPolarHBondContact O-CB 3.12Å; G147-C176 PolarHBondContact O-N 3.35Å; G147-C176 PolarHBondContact O-SG 3.45Å
148A97.7Very high97.1Very high0 Ų052.8 Ų52.80%027%0.269CS..SBendtrans-78.9-57175.800000110.2L119 N120 V123 D153 G175 C176 A177L119-A148 HydrophobicContact CB-CB 3.74Å; N120-A148 HydrophobicContact CB-CB 4.25Å; V123-A148 HydrophobicContact CG2-CB 4.33Å; A148-D153 WeakPolarHBondContact CA-OD2 3.19Å; A148-D153 PolarHBondContact N-OD2 2.89Å; A148-G175 CarbonylContact O-C 3.5Å; A148-G175 WeakPolarHBondContact O-CA 3.25Å; A148-C176 PolarHBondContact O-N 2.89Å; A148-A177 VanDerWaalsContact O-CB 3.32Å; A148-A177 WeakPolarHBondContact O-CB 3.13Å; A148-A177 PolarHBondContact O-N 2.64Å
149D97.9Very high97Very high70 Ų7051 Ų5137%0.37426%0.258SS..SBendtrans-99.7-39177.2-69.3-57.8000111.2H116 N120 D153 G175H116-D149 IonicContact CD2-OD1 3.29Å; H116-D149 PolarHBondContact CD2-OD1 3.41Å; H116-D149 VanDerWaalsContact CD2-OD1 3.29Å; H116-D149 IonicContact CD2-OD2 3.99Å; H116-D149 IonicContact CE1-OD1 3.87Å; H116-D149 IonicContact CE1-OD2 3.48Å; H116-D149 PolarHBondContact CE1-OD2 3.43Å; H116-D149 IonicContact NE2-OD1 2.68Å; H116-D149 PolarHBondContact NE2-OD1 3.1Å; H116-D149 IonicContact NE2-OD2 2.9Å; H116-D149 PolarHBondContact NE2-OD2 2.95Å; N120-D149 PolarHBondContact ND2-OD2 3.26Å; D149-D153 PolarHBondContact N-OD2 2.78Å; D149-G175 WeakPolarHBondContact O-CA 3.47Å; D149-G175 PolarHBondContact O-N 2.95Å
150S97.5Very high96.9Very high32 Ų3257.5 Ų57.522%0.22429%0.293CS..  trans-164.3171.2179.8720000112.6C146 N152 D153C146-S150 CarbonylContact O-C 3.5Å; C146-S150 WeakPolarHBondContact O-CA 3.45Å; S150-N152 PolarHBondContact O-N 3.35Å; S150-N152 VanDerWaalsContact O-N 3.12Å; S150-N152 WeakPolarHBondContact OG-CB 3.49Å; S150-N152 PolarHBondContact OG-N 3.17Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 VanDerWaalsContact N-OD2 3.13Å; S150-D153 WeakPolarHBondContact O-CB 3.19Å; S150-D153 PolarHBondContact O-N 2.78Å; S150-D153 VanDerWaalsContact O-N 3.09Å; S150-D153 VanDerWaalsContact O-OD2 3.09Å
151S96.6Very high96.8Very high16 Ų1660.1 Ų60.111%0.11231%0.306CS..THydrogen-bonded Turntrans-59.9-22.3172.262.40000114.1C146 D153 Y154C146-S151 PolarHBondContact O-N 2.73Å; S151-D153 PolarHBondContact O-N 2.87Å; S151-Y154 PolarHBondContact O-N 3.2Å
152N96.7Very high96.8Very high89 Ų8954.4 Ų54.448%0.47628%0.281SS..Hα-helixtrans-68.1-18.5178.2-71.4-12.2000112.4S150 Y154 S155 H156S150-N152 PolarHBondContact O-N 3.35Å; S150-N152 VanDerWaalsContact O-N 3.12Å; S150-N152 WeakPolarHBondContact OG-CB 3.49Å; S150-N152 PolarHBondContact OG-N 3.17Å; N152-Y154 PolarHBondContact O-N 2.95Å; N152-S155 CarbonylContact O-C 3.55Å; N152-S155 WeakPolarHBondContact O-CA 3.44Å; N152-S155 WeakPolarHBondContact O-CB 3.06Å; N152-S155 PolarHBondContact O-N 3.24Å; N152-H156 PolarHBondContact O-CD2 3.36Å; N152-H156 PolarHBondContact O-N 3.45Å
153D97.6Very high96.7Very high16 Ų1657 Ų579%0.08630%0.297CS..Hα-helixtrans-57-38.3178.7-58-12.7000111.2V123 A148 D149 S150 S151 H156 V157V123-D153 HydrophobicContact CG1-CB 3.98Å; V123-D153 HydrophobicContact CG2-CB 4.4Å; A148-D153 WeakPolarHBondContact CA-OD2 3.19Å; A148-D153 PolarHBondContact N-OD2 2.89Å; D149-D153 PolarHBondContact N-OD2 2.78Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 VanDerWaalsContact N-OD2 3.13Å; S150-D153 WeakPolarHBondContact O-CB 3.19Å; S150-D153 PolarHBondContact O-N 2.78Å; S150-D153 VanDerWaalsContact O-N 3.09Å; S150-D153 VanDerWaalsContact O-OD2 3.09Å; S151-D153 PolarHBondContact O-N 2.87Å; D153-H156 PolarHBondContact O-N 3.1Å; D153-V157 WeakPolarHBondContact O-CG2 3.33Å; D153-V157 PolarHBondContact O-N 2.91Å
154Y97.1Very high96.7Very high0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-64.1-43.7173.6-69.2-73.7000112V123 Y126 Q140 S151 N152 H156 V157 K158 Q159 P162V123-Y154 HydrophobicContact CG1-CD1 3.86Å; V123-Y154 HydrophobicContact CG1-CE1 3.9Å; V123-Y154 HydrophobicContact CG1-CG 4.28Å; Y126-Y154 HydrophobicContact CD1-CE1 4.09Å; Y126-Y154 HydrophobicContact CD2-CE1 4.25Å; Y126-Y154 AromaticContact CG-CE1 3.83Å; Y126-Y154 HydrophobicContact CG-CE1 3.83Å; Q140-Y154 PolarHBondContact OE1-OH 3.42Å; S151-Y154 PolarHBondContact O-N 3.2Å; N152-Y154 PolarHBondContact O-N 2.95Å; Y154-H156 VanDerWaalsContact C-N 3.33Å; Y154-H156 PolarHBondContact O-N 3.28Å; Y154-V157 CarbonylContact O-C 3.56Å; Y154-V157 VanDerWaalsContact O-CG2 3.28Å; Y154-V157 WeakPolarHBondContact O-CG2 3.27Å; Y154-V157 PolarHBondContact O-N 2.83Å; Y154-K158 PolarHBondContact O-N 3.37Å; Y154-K158 VanDerWaalsContact O-N 3.16Å; Y154-Q159 CarbonylContact C-O 3.47Å; Y154-Q159 HydrophobicContact CD1-CB 4.34Å; Y154-Q159 PolarHBondContact O-N 3.13Å; Y154-P162 HydrophobicContact CD1-CG 4.38Å; Y154-P162 HydrophobicContact CE1-CG 3.73Å; Y154-P162 VanDerWaalsContact CE2-CD 3.44Å; Y154-P162 HydrophobicContact CE2-CG 3.97Å; Y154-P162 VanDerWaalsContact CZ-CD 3.48Å; Y154-P162 VanDerWaalsContact CZ-CG 3.5Å
155S95Very high96.7Very high67 Ų6750 Ų5047%0.46927%0.265SS..Hα-helixtrans-64.5-37.4176.9-57.20000112.1N152 V157 K158N152-S155 CarbonylContact O-C 3.55Å; N152-S155 WeakPolarHBondContact O-CA 3.44Å; N152-S155 WeakPolarHBondContact O-CB 3.06Å; N152-S155 PolarHBondContact O-N 3.24Å; S155-V157 PolarHBondContact O-N 3.26Å; S155-K158 PolarHBondContact O-N 3.14Å
156H95.7Very high96.6Very high147 Ų14752.4 Ų52.468%0.68128%0.278SS*.Hα-helixtrans-61.4-32.2175.9-71.1-56.6000112.7N152 D153 Y154N152-H156 PolarHBondContact O-CD2 3.36Å; N152-H156 PolarHBondContact O-N 3.45Å; D153-H156 PolarHBondContact O-N 3.1Å; Y154-H156 VanDerWaalsContact C-N 3.33Å; Y154-H156 PolarHBondContact O-N 3.28Å
157V94.8Very high96.3Very high49 Ų4956.1 Ų56.130%0.29730%0.304SS..THydrogen-bonded Turntrans-96.113.1174.7-57.60000113.2V123 K124 D153 Y154 S155 Q159V123-V157 HydrophobicContact CG1-CG2 4.22Å; K124-V157 HydrophobicContact CG-CG1 3.92Å; D153-V157 WeakPolarHBondContact O-CG2 3.33Å; D153-V157 PolarHBondContact O-N 2.91Å; Y154-V157 CarbonylContact O-C 3.56Å; Y154-V157 VanDerWaalsContact O-CG2 3.28Å; Y154-V157 WeakPolarHBondContact O-CG2 3.27Å; Y154-V157 PolarHBondContact O-N 2.83Å; S155-V157 PolarHBondContact O-N 3.26Å; V157-Q159 VanDerWaalsContact C-N 3.27Å; V157-Q159 HydrophobicContact CG2-CB 3.96Å; V157-Q159 HydrophobicContact CG2-CG 3.75Å; V157-Q159 PolarHBondContact O-N 2.83Å
158K95.5Very high96.1Very high204 Ų20459.4 Ų59.489%0.88734%0.338SS*.THydrogen-bonded Turntrans56.737.1-180-54.5-178.6-178.6179.60113.6Y154 S155Y154-K158 PolarHBondContact O-N 3.37Å; Y154-K158 VanDerWaalsContact O-N 3.16Å; S155-K158 PolarHBondContact O-N 3.14Å
159Q94.5Very high95.7Very high43 Ų4367 Ų6720%0.20138%0.377CS..  trans-110155177.8-69.81771.900111.2V123 K124 Y154 V157V123-Q159 PolarHBondContact O-OE1 3.04Å; K124-Q159 PolarHBondContact O-NE2 2.99Å; Y154-Q159 CarbonylContact C-O 3.47Å; Y154-Q159 HydrophobicContact CD1-CB 4.34Å; Y154-Q159 PolarHBondContact O-N 3.13Å; V157-Q159 VanDerWaalsContact C-N 3.27Å; V157-Q159 HydrophobicContact CG2-CB 3.96Å; V157-Q159 HydrophobicContact CG2-CG 3.75Å; V157-Q159 PolarHBondContact O-N 2.83Å
160L95.3Very high95.6Very high137 Ų13770.9 Ų70.972%0.71739%0.391SS*.PPolyproline II helixtrans-70.8142.9172.3-68.9165.1000110W127W127-L160 HydrophobicContact CZ2-CB 4.17Å; W127-L160 PolarHBondContact NE1-O 2.58Å; W127-L160 VanDerWaalsContact NE1-O 3.13Å
161I96.7Very high95.6Very high54 Ų5471.6 Ų71.628%0.27739%0.394SS..PPolyproline II helixtrans-68.6127.4172.9-58.5176.5000108.4C165 L166 P171I161-C165 WeakPolarHBondContact CG2-SG 3.1Å; I161-L166 HydrophobicContact CG2-CD2 3.88Å; I161-P171 HydrophobicContact CD1-CG 4.42Å; I161-P171 HydrophobicContact CG2-CB 4.29Å
162P96.8Very high95.6Very high1 Ų173.1 Ų73.11%0.00640%0.398CS..PPolyproline II helixtrans-62.8142.7178.5-28.239000113.6Y126 Y154 S164 C165Y126-P162 HydrophobicContact CD1-CG 4.06Å; Y126-P162 HydrophobicContact CD2-CG 4.36Å; Y126-P162 HydrophobicContact CE1-CB 4.11Å; Y126-P162 HydrophobicContact CE1-CG 3.48Å; Y126-P162 VanDerWaalsContact CE1-CG 3.48Å; Y126-P162 HydrophobicContact CE2-CB 4.29Å; Y126-P162 HydrophobicContact CE2-CG 3.79Å; Y126-P162 HydrophobicContact CG-CG 4.49Å; Y126-P162 WeakPolarHBondContact OH-CB 3.16Å; Y154-P162 HydrophobicContact CD1-CG 4.38Å; Y154-P162 HydrophobicContact CE1-CG 3.73Å; Y154-P162 VanDerWaalsContact CE2-CD 3.44Å; Y154-P162 HydrophobicContact CE2-CG 3.97Å; Y154-P162 VanDerWaalsContact CZ-CD 3.48Å; Y154-P162 VanDerWaalsContact CZ-CG 3.5Å; P162-S164 WeakPolarHBondContact CB-OG 3.49Å; P162-S164 PolarHBondContact O-N 3.02Å; P162-C165 PolarHBondContact O-N 2.99Å; P162-C165 PolarHBondContact O-SG 3.44Å
163T96.2Very high95.5Very high120 Ų12074.6 Ų74.674%0.73642%0.416SS*.G310 helixtrans-64.8-20.9173.354.90000112.9C165 L166T163-C165 PolarHBondContact O-N 3.45Å; T163-L166 HydrophobicContact CG2-CD1 4.42Å; T163-L166 PolarHBondContact O-N 2.89Å
164S96.7Very high95.5Very high4 Ų476.8 Ų76.83%0.02843%0.427CS..G310 helixtrans-65.6-22.1176.858.40000114.2D137 Q140 K141 P162D137-S164 WeakPolarHBondContact OD1-CB 3.44Å; D137-S164 PolarHBondContact OD1-OG 2.74Å; Q140-S164 PolarHBondContact NE2-OG 3.26Å; K141-S164 VanDerWaalsContact CG-O 3.24Å; K141-S164 WeakPolarHBondContact CG-O 3.23Å; P162-S164 WeakPolarHBondContact CB-OG 3.49Å; P162-S164 PolarHBondContact O-N 3.02Å
165C97.2Very high95.6Very high0 Ų076.9 Ų76.90%043%0.427CS..G310 helixtrans-108.716.918084.90000113.4Q140 C145 C146 I161 P162 T163 P171 Y172Q140-C165 HydrophobicContact CB-CB 3.91Å; Q140-C165 HydrophobicContact CG-CB 4.15Å; C145-C165 WeakPolarHBondContact O-CB 3.15Å; C146-C165 HydrophobicContact CB-CB 3.37Å; C146-C165 WeakPolarHBondContact CB-SG 3.26Å; C146-C165 WeakPolarHBondContact SG-CB 3.07Å; C146-C165 CovalentContact SG-SG 2.05Å; C146-C165 PolarHBondContact SG-SG 3.26Å; I161-C165 WeakPolarHBondContact CG2-SG 3.1Å; P162-C165 PolarHBondContact O-N 2.99Å; P162-C165 PolarHBondContact O-SG 3.44Å; T163-C165 PolarHBondContact O-N 3.45Å; C165-P171 WeakPolarHBondContact O-CA 3.38Å; C165-Y172 VanDerWaalsContact C-CD2 3.44Å; C165-Y172 HydrophobicContact CB-CD2 4.15Å; C165-Y172 WeakPolarHBondContact O-CD2 3.36Å; C165-Y172 PolarHBondContact O-N 3.38Å
166L96.7Very high95.7Very high51 Ų5173.7 Ų73.727%0.26741%0.405SS..EExtended strand (participates in β ladder)trans-99.8135.7178-55.5180000111.5I161 T163 K170 P171I161-L166 HydrophobicContact CG2-CD2 3.88Å; T163-L166 HydrophobicContact CG2-CD1 4.42Å; T163-L166 PolarHBondContact O-N 2.89Å; L166-K170 CarbonylContact C-O 3.4Å; L166-K170 WeakPolarHBondContact CA-O 3.07Å; L166-P171 HydrophobicContact CD2-CB 3.92Å
167S93Very high95.8Very high78 Ų7866.7 Ų66.755%0.54537%0.373SS..EExtended strand (participates in β ladder)trans-98.396.9162.3-170.10000108.5I169 K170S167-I169 PolarHBondContact O-N 3.41Å; S167-I169 VanDerWaalsContact O-N 3.15Å; S167-K170 PolarHBondContact N-O 3.02Å; S167-K170 PolarHBondContact O-N 3.29Å
168G92Very high95.9Very high70 Ų7067.5 Ų67.572%0.72238%0.376SS*.THydrogen-bonded Turntrans64.9-111.6-165.700000110.3
169I90.4Very high96Very high158 Ų15858.3 Ų58.381%0.8134%0.337SS*.THydrogen-bonded Turntrans-102.6-5.5177.962170.5000113.7S167S167-I169 PolarHBondContact O-N 3.41Å; S167-I169 VanDerWaalsContact O-N 3.15Å
170K95.9Very high96.1Very high152 Ų15256.3 Ų56.366%0.66133%0.328SS*.EExtended strand (participates in β ladder)trans-103.2132.1-175.2-67.2-176178.8-1790110.3L166 S167L166-K170 CarbonylContact C-O 3.4Å; L166-K170 WeakPolarHBondContact CA-O 3.07Å; S167-K170 PolarHBondContact N-O 3.02Å; S167-K170 PolarHBondContact O-N 3.29Å
171P97Very high96.1Very high47 Ų4751.9 Ų51.931%0.30531%0.305SS..EExtended strand (participates in β ladder)trans-67.2151.9173.428.6-33.3000111.3I161 C165 L166I161-P171 HydrophobicContact CD1-CG 4.42Å; I161-P171 HydrophobicContact CG2-CB 4.29Å; C165-P171 WeakPolarHBondContact O-CA 3.38Å; L166-P171 HydrophobicContact CD2-CB 3.92Å
172Y97Very high96.1Very high49 Ų4954.6 Ų54.619%0.19232%0.319CS..PPolyproline II helixtrans-59.9137.2167.9-62.9-61.6000110.4H144 C165H144-Y172 VanDerWaalsContact C-CD2 3.41Å; H144-Y172 HydrophobicContact CB-CD1 3.86Å; H144-Y172 HydrophobicContact CB-CD2 4.43Å; H144-Y172 HydrophobicContact CB-CE1 3.65Å; H144-Y172 HydrophobicContact CB-CE2 4.27Å; H144-Y172 HydrophobicContact CB-CG 4.26Å; H144-Y172 AromaticContact ND1-CE1 3.69Å; H144-Y172 AromaticContact ND1-CZ 3.38Å; H144-Y172 PolarHBondContact ND1-OH 2.92Å; H144-Y172 VanDerWaalsContact O-CB 3.27Å; H144-Y172 WeakPolarHBondContact O-CB 3.22Å; H144-Y172 VanDerWaalsContact O-CG 3.25Å; C165-Y172 VanDerWaalsContact C-CD2 3.44Å; C165-Y172 HydrophobicContact CB-CD2 4.15Å; C165-Y172 WeakPolarHBondContact O-CD2 3.36Å; C165-Y172 PolarHBondContact O-N 3.38Å
173S94.8Very high96Very high120 Ų12055.9 Ų55.984%0.83933%0.326SS*.SBendtrans-80.1-19.5179.858.20000113.6
174L97.5Very high96Very high62 Ų6250.3 Ų50.333%0.32529%0.292SS..SBendtrans-83.8128.8-178.1-175.664.9000110.3C145 C146 D178 A179C145-L174 CarbonylContact C-O 3.54Å; C145-L174 WeakPolarHBondContact CA-O 3.39Å; C145-L174 VanDerWaalsContact CB-O 3.26Å; C145-L174 WeakPolarHBondContact CB-O 3.4Å; C146-L174 PolarHBondContact N-O 3.14Å; L174-D178 HydrophobicContact CD1-CB 3.86Å; L174-A179 HydrophobicContact CD2-CB 3.76Å; L174-A179 HydrophobicContact CG-CB 4.2Å
175G98Very high96Very high1 Ų153.9 Ų53.91%0.0131%0.308CS..  trans-70.9147.8170.300000112.2A148 D149 A177 D178 A179A148-G175 CarbonylContact O-C 3.5Å; A148-G175 WeakPolarHBondContact O-CA 3.25Å; D149-G175 WeakPolarHBondContact O-CA 3.47Å; D149-G175 PolarHBondContact O-N 2.95Å; G175-A177 VanDerWaalsContact C-N 3.3Å; G175-A177 PolarHBondContact O-N 3.35Å; G175-D178 PolarHBondContact O-N 3.08Å; G175-A179 PolarHBondContact O-N 3.46Å
176C98.2Very high96Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-70.6-25.2-178.6-670000113.7L119 F136 L139 C145 G147 A148 L180L119-C176 HydrophobicContact CD1-CB 4.03Å; F136-C176 HydrophobicContact CE2-CB 4.22Å; L139-C176 HydrophobicContact CD2-CB 3.48Å; L139-C176 VanDerWaalsContact CD2-CB 3.48Å; L139-C176 WeakPolarHBondContact CD2-SG 3.37Å; C145-C176 VanDerWaalsContact C-SG 3.57Å; C145-C176 HydrophobicContact CB-CB 3.94Å; C145-C176 WeakPolarHBondContact CB-SG 3.35Å; C145-C176 WeakPolarHBondContact SG-CA 3.48Å; C145-C176 WeakPolarHBondContact SG-CB 3.36Å; C145-C176 CovalentContact SG-SG 2.05Å; C145-C176 PolarHBondContact SG-SG 3.46Å; G147-C176 WeakPolarHBondContact O-CB 3.12Å; G147-C176 PolarHBondContact O-N 3.35Å; G147-C176 PolarHBondContact O-SG 3.45Å; A148-C176 PolarHBondContact O-N 2.89Å; C176-L180 WeakPolarHBondContact O-CB 3.47Å; C176-L180 WeakPolarHBondContact O-CD1 3.3Å; C176-L180 VanDerWaalsContact O-CG 3.25Å; C176-L180 WeakPolarHBondContact O-CG 3.32Å; C176-L180 PolarHBondContact O-N 3.24Å; C176-L180 VanDerWaalsContact O-N 3.08Å
177A97.5Very high96Very high0 Ų059.3 Ų59.30%033%0.326CS..Hα-helixtrans-63.2-44.817200000111.1F112 H116 L119 A148 G175 L180 N181F112-A177 HydrophobicContact CE2-CB 4.29Å; H116-A177 HydrophobicContact CB-CB 4.2Å; L119-A177 HydrophobicContact CD1-CB 4.09Å; A148-A177 VanDerWaalsContact O-CB 3.32Å; A148-A177 WeakPolarHBondContact O-CB 3.13Å; A148-A177 PolarHBondContact O-N 2.64Å; G175-A177 VanDerWaalsContact C-N 3.3Å; G175-A177 PolarHBondContact O-N 3.35Å; A177-L180 PolarHBondContact O-N 3.45Å; A177-N181 WeakPolarHBondContact O-CB 3.41Å; A177-N181 PolarHBondContact O-N 3.26Å
178D96.8Very high96.2Very high67 Ų6756 Ų5636%0.35830%0.302SS..Hα-helixtrans-68.7-41.9177.7-75-24.2000112.2L174 G175 L180 N181 I182L174-D178 HydrophobicContact CD1-CB 3.86Å; G175-D178 PolarHBondContact O-N 3.08Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 2.85Å; D178-N181 WeakPolarHBondContact O-CB 3.15Å; D178-N181 PolarHBondContact O-N 3.24Å; D178-N181 VanDerWaalsContact O-N 3.14Å; D178-I182 WeakPolarHBondContact O-CG1 3.21Å; D178-I182 PolarHBondContact O-N 3.02Å
179A97.6Very high96.5Very high10 Ų1055.6 Ų55.68%0.08329%0.285CS..Hα-helixtrans-57-43.7175.700000111.8F143 C145 L174 G175 L183F143-A179 HydrophobicContact CB-CB 4.12Å; C145-A179 HydrophobicContact CB-CB 3.91Å; L174-A179 HydrophobicContact CD2-CB 3.76Å; L174-A179 HydrophobicContact CG-CB 4.2Å; G175-A179 PolarHBondContact O-N 3.46Å; A179-L183 PolarHBondContact O-N 2.99Å; A179-L183 VanDerWaalsContact O-N 3.1Å
180L96.8Very high96.8Very high1 Ų150 Ų501%0.00526%0.257CS..Hα-helixtrans-68.9-38.9175.6-70.4168.6000112.4L39 L46 L119 L139 F143 C176 A177 D178 L183 V184L39-L180 HydrophobicContact CD2-CD2 3.85Å; L46-L180 HydrophobicContact CD1-CD1 4.07Å; L46-L180 HydrophobicContact CD1-CD2 4.49Å; L46-L180 HydrophobicContact CD2-CD1 3.32Å; L46-L180 HydrophobicContact CG-CD1 4.34Å; L119-L180 HydrophobicContact CD1-CD1 3.89Å; L139-L180 HydrophobicContact CD1-CD1 4.16Å; L139-L180 HydrophobicContact CD1-CD2 4.37Å; F143-L180 HydrophobicContact CE2-CD2 4.47Å; C176-L180 WeakPolarHBondContact O-CB 3.47Å; C176-L180 WeakPolarHBondContact O-CD1 3.3Å; C176-L180 VanDerWaalsContact O-CG 3.25Å; C176-L180 WeakPolarHBondContact O-CG 3.32Å; C176-L180 PolarHBondContact O-N 3.24Å; C176-L180 VanDerWaalsContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 3.45Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 2.85Å; L180-L183 WeakPolarHBondContact O-CB 3.33Å; L180-L183 PolarHBondContact O-N 2.94Å; L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.4Å
181N95.1Very high96.9Very high45 Ų4542.8 Ų42.824%0.24123%0.225CC..Hα-helixtrans-58.9-49175.6-171.124.7000110.6F112 A177 D178 L183 V184 Q185F112-N181 HydrophobicContact CD2-CB 3.62Å; F112-N181 HydrophobicContact CE2-CB 3.67Å; A177-N181 WeakPolarHBondContact O-CB 3.41Å; A177-N181 PolarHBondContact O-N 3.26Å; D178-N181 WeakPolarHBondContact O-CB 3.15Å; D178-N181 PolarHBondContact O-N 3.24Å; D178-N181 VanDerWaalsContact O-N 3.14Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 PolarHBondContact O-N 3.24Å; N181-V184 PolarHBondContact O-N 2.66Å; N181-Q185 WeakPolarHBondContact O-CB 3.49Å; N181-Q185 WeakPolarHBondContact O-CG 3.49Å; N181-Q185 PolarHBondContact O-N 3.42Å; N181-Q185 WeakPolarHBondContact OD1-CG 3.44Å; N181-Q185 PolarHBondContact OD1-NE2 3.06Å
182I95.9Very high96.9Very high110 Ų11041.2 Ų41.256%0.56421%0.214SC*.Hα-helixtrans-56.9-46.6177-67165.4000110.6D178 Y186D178-I182 WeakPolarHBondContact O-CG1 3.21Å; D178-I182 PolarHBondContact O-N 3.02Å; I182-Y186 WeakPolarHBondContact O-CB 3.41Å; I182-Y186 PolarHBondContact O-N 3.18Å
183L96.2Very high96.9Very high28 Ų2846.2 Ų46.215%0.14723%0.234CC..Hα-helixtrans-60.1-50.8177.6-178.872.6000112.1L35 L39 F143 A179 L180 N181 Y186 Y187L35-L183 HydrophobicContact CD1-CD2 3.8Å; L35-L183 HydrophobicContact CD1-CG 3.85Å; L39-L183 HydrophobicContact CD2-CD2 4.46Å; F143-L183 HydrophobicContact CE1-CD1 4.2Å; F143-L183 HydrophobicContact CE1-CD2 3.6Å; F143-L183 HydrophobicContact CE1-CG 4.39Å; F143-L183 HydrophobicContact CZ-CD2 3.63Å; A179-L183 PolarHBondContact O-N 2.99Å; A179-L183 VanDerWaalsContact O-N 3.1Å; L180-L183 WeakPolarHBondContact O-CB 3.33Å; L180-L183 PolarHBondContact O-N 2.94Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 PolarHBondContact O-N 3.24Å; L183-Y186 WeakPolarHBondContact O-CB 3.27Å; L183-Y186 PolarHBondContact O-N 3.15Å; L183-Y187 HydrophobicContact CD1-CD2 4.09Å; L183-Y187 HydrophobicContact CD1-CE2 3.73Å; L183-Y187 HydrophobicContact CG-CD2 4.35Å; L183-Y187 HydrophobicContact CG-CE2 4.42Å; L183-Y187 WeakPolarHBondContact O-CD2 3.24Å; L183-Y187 PolarHBondContact O-N 3.45Å
184V96.3Very high97.1Very high4 Ų442.2 Ų42.22%0.02420%0.203CC..Hα-helixtrans-64.5-44.1-177.6172.60000110.4L35 L39 P51 F54 F111 L180 N181 Y186 Y187 K188L35-V184 HydrophobicContact CD1-CG2 4.4Å; L35-V184 HydrophobicContact CD2-CB 4.11Å; L35-V184 HydrophobicContact CD2-CG1 4.05Å; L35-V184 HydrophobicContact CD2-CG2 3.77Å; L39-V184 HydrophobicContact CD1-CG2 4.28Å; P51-V184 HydrophobicContact CG-CG1 3.74Å; F54-V184 HydrophobicContact CE2-CG1 4.41Å; F111-V184 HydrophobicContact CD1-CG1 4.32Å; F111-V184 HydrophobicContact CD1-CG2 3.96Å; F111-V184 HydrophobicContact CE1-CB 4.38Å; F111-V184 HydrophobicContact CE1-CG2 3.4Å; F111-V184 HydrophobicContact CZ-CG2 3.95Å; L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.4Å; N181-V184 PolarHBondContact O-N 2.66Å; V184-Y186 VanDerWaalsContact C-N 3.31Å; V184-Y186 PolarHBondContact O-N 3.28Å; V184-Y187 PolarHBondContact O-N 2.88Å; V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.91Å
185Q95.8Very high97Very high78 Ų7839.3 Ų39.336%0.36419%0.187SC..Hα-helixtrans-61.7-39.2177.4-68.9-59.3-19.100111.9N181 T189N181-Q185 WeakPolarHBondContact O-CB 3.49Å; N181-Q185 WeakPolarHBondContact O-CG 3.49Å; N181-Q185 PolarHBondContact O-N 3.42Å; N181-Q185 WeakPolarHBondContact OD1-CG 3.44Å; N181-Q185 PolarHBondContact OD1-NE2 3.06Å; Q185-T189 WeakPolarHBondContact O-CB 3.27Å; Q185-T189 PolarHBondContact O-N 3.47Å; Q185-T189 PolarHBondContact O-OG1 3.06Å
186Y97.1Very high97Very high143 Ų14342.4 Ų42.456%0.56120%0.201SC*.Hα-helixtrans-59.1-52.9175.7172.5-99.9000111.8I182 L183 V184 T189 I190I182-Y186 WeakPolarHBondContact O-CB 3.41Å; I182-Y186 PolarHBondContact O-N 3.18Å; L183-Y186 WeakPolarHBondContact O-CB 3.27Å; L183-Y186 PolarHBondContact O-N 3.15Å; V184-Y186 VanDerWaalsContact C-N 3.31Å; V184-Y186 PolarHBondContact O-N 3.28Å; Y186-T189 PolarHBondContact O-N 2.99Å; Y186-I190 HydrophobicContact CD1-CD1 4.14Å; Y186-I190 HydrophobicContact CD2-CD1 4.43Å; Y186-I190 HydrophobicContact CE1-CD1 3.58Å; Y186-I190 HydrophobicContact CE2-CD1 3.91Å; Y186-I190 VanDerWaalsContact CZ-CD1 3.45Å; Y186-I190 WeakPolarHBondContact O-CG1 3.49Å; Y186-I190 PolarHBondContact O-N 2.97Å
187Y97.7Very high96.8Very high22 Ų2244.8 Ų44.89%0.08622%0.217CC..Hα-helixtrans-67.5-40.3179.4-81.8-82.4000112.8K34 L35 L183 V184 T189 I190 L191K34-Y187 HydrophobicContact CB-CE1 4.13Å; K34-Y187 HydrophobicContact CD-CE1 3.7Å; K34-Y187 VanDerWaalsContact CE-OH 3.27Å; K34-Y187 WeakPolarHBondContact CE-OH 3.34Å; K34-Y187 HydrophobicContact CG-CE1 3.68Å; L35-Y187 HydrophobicContact CB-CD1 4.48Å; L35-Y187 HydrophobicContact CB-CD2 4.34Å; L35-Y187 HydrophobicContact CB-CG 4.06Å; L35-Y187 HydrophobicContact CD1-CD2 3.91Å; L35-Y187 HydrophobicContact CD1-CE2 4.48Å; L35-Y187 HydrophobicContact CD1-CG 4.43Å; L183-Y187 HydrophobicContact CD1-CD2 4.09Å; L183-Y187 HydrophobicContact CD1-CE2 3.73Å; L183-Y187 HydrophobicContact CG-CD2 4.35Å; L183-Y187 HydrophobicContact CG-CE2 4.42Å; L183-Y187 WeakPolarHBondContact O-CD2 3.24Å; L183-Y187 PolarHBondContact O-N 3.45Å; V184-Y187 PolarHBondContact O-N 2.88Å; Y187-T189 VanDerWaalsContact C-N 3.33Å; Y187-T189 PolarHBondContact O-N 3.4Å; Y187-I190 PolarHBondContact O-N 3.06Å; Y187-L191 WeakPolarHBondContact O-CB 3.46Å; Y187-L191 PolarHBondContact O-N 2.89Å
188K96.7Very high96.7Very high10 Ų1044.8 Ų44.84%0.04322%0.217CC..Hα-helixtrans-59-45.5175.6177178179.9-171.40111I53 F54 S104 D109 V184 L191 I192I53-K188 HydrophobicContact CD1-CG 4.32Å; I53-K188 HydrophobicContact CG2-CG 4.25Å; F54-K188 HydrophobicContact CZ-CB 4.32Å; S104-K188 WeakPolarHBondContact O-CE 3.42Å; S104-K188 PolarHBondContact O-NZ 3.3Å; D109-K188 IonicContact OD1-NZ 3.93Å; D109-K188 WeakPolarHBondContact OD2-CE 3.39Å; D109-K188 IonicContact OD2-NZ 2.64Å; D109-K188 PolarHBondContact OD2-NZ 2.05Å; V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.91Å; K188-L191 PolarHBondContact O-N 3.41Å; K188-I192 HydrophobicContact CG-CD1 3.93Å; K188-I192 HydrophobicContact CG-CG1 4.49Å; K188-I192 VanDerWaalsContact O-CG1 3.29Å; K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.13Å
189T97.2Very high96.6Very high60 Ų6041.7 Ų41.737%0.36820%0.201SC..Hα-helixtrans-62.5-45.7-179.5-63.50000111.6Q185 Y186 Y187 L191 I192 Y193Q185-T189 WeakPolarHBondContact O-CB 3.27Å; Q185-T189 PolarHBondContact O-N 3.47Å; Q185-T189 PolarHBondContact O-OG1 3.06Å; Y186-T189 PolarHBondContact O-N 2.99Å; Y187-T189 VanDerWaalsContact C-N 3.33Å; Y187-T189 PolarHBondContact O-N 3.4Å; T189-L191 VanDerWaalsContact C-N 3.31Å; T189-L191 PolarHBondContact O-N 3.28Å; T189-I192 PolarHBondContact O-N 2.76Å; T189-Y193 HydrophobicContact CG2-CD2 3.82Å; T189-Y193 HydrophobicContact CG2-CE2 3.41Å; T189-Y193 VanDerWaalsContact CG2-CE2 3.41Å; T189-Y193 WeakPolarHBondContact O-CD2 3.33Å; T189-Y193 PolarHBondContact O-N 3.32Å; T189-Y193 VanDerWaalsContact O-N 3.15Å
190I97.6Very high96.5Very high41 Ų4146.4 Ų46.421%0.2122%0.223CC..Hα-helixtrans-57.6-47.2175.2-68.7169.4000110.6F31 Y186 Y187 I192 Y193 L194F31-I190 HydrophobicContact CD1-CG2 3.79Å; F31-I190 HydrophobicContact CE1-CD1 4.45Å; F31-I190 HydrophobicContact CE1-CG2 3.78Å; F31-I190 HydrophobicContact CG-CG2 4.43Å; F31-I190 HydrophobicContact CZ-CG2 4.41Å; Y186-I190 HydrophobicContact CD1-CD1 4.14Å; Y186-I190 HydrophobicContact CD2-CD1 4.43Å; Y186-I190 HydrophobicContact CE1-CD1 3.58Å; Y186-I190 HydrophobicContact CE2-CD1 3.91Å; Y186-I190 VanDerWaalsContact CZ-CD1 3.45Å; Y186-I190 WeakPolarHBondContact O-CG1 3.49Å; Y186-I190 PolarHBondContact O-N 2.97Å; Y187-I190 PolarHBondContact O-N 3.06Å; I190-I192 PolarHBondContact O-N 2.9Å; I190-Y193 PolarHBondContact O-N 3.47Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CG 3.02Å; I190-L194 PolarHBondContact O-N 2.92Å
191L97.6Very high96.4Very high1 Ų148.8 Ų48.81%0.00524%0.236CC..Hα-helixtrans-65.4-38.6-177.1-164.356.5000112.2V28 F31 I53 F54 A57 Y187 K188 T189 Y193 L194 C195V28-L191 HydrophobicContact CG1-CD1 4.3Å; F31-L191 HydrophobicContact CB-CD1 4.2Å; I53-L191 HydrophobicContact CD1-CB 4.04Å; I53-L191 HydrophobicContact CD1-CD2 4.12Å; I53-L191 HydrophobicContact CD1-CG 4.06Å; I53-L191 HydrophobicContact CG1-CD2 3.74Å; I53-L191 HydrophobicContact CG1-CG 4.09Å; I53-L191 HydrophobicContact CG2-CD2 4.43Å; F54-L191 HydrophobicContact CD1-CD2 3.98Å; F54-L191 HydrophobicContact CE1-CD2 4.17Å; A57-L191 HydrophobicContact CB-CD1 3.79Å; A57-L191 HydrophobicContact CB-CD2 3.66Å; A57-L191 HydrophobicContact CB-CG 3.86Å; Y187-L191 WeakPolarHBondContact O-CB 3.46Å; Y187-L191 PolarHBondContact O-N 2.89Å; K188-L191 PolarHBondContact O-N 3.41Å; T189-L191 VanDerWaalsContact C-N 3.31Å; T189-L191 PolarHBondContact O-N 3.28Å; L191-Y193 PolarHBondContact O-N 2.86Å; L191-L194 PolarHBondContact O-N 3.37Å; L191-C195 WeakPolarHBondContact O-CB 3.44Å; L191-C195 PolarHBondContact O-N 3.39Å; L191-C195 PolarHBondContact O-SG 3.48Å; L191-C195 VanDerWaalsContact O-SG 3.34Å
192I97.7Very high96.3Very high13 Ų1346.7 Ų46.77%0.06722%0.224CC..Hα-helixtrans-57.7-48.9172.8-72.4169.2000110.7I53 A101 K188 T189 I190 C195 F196I53-I192 HydrophobicContact CD1-CD1 4.46Å; I53-I192 HydrophobicContact CD1-CG1 3.57Å; A101-I192 HydrophobicContact CB-CG2 4.36Å; K188-I192 HydrophobicContact CG-CD1 3.93Å; K188-I192 HydrophobicContact CG-CG1 4.49Å; K188-I192 VanDerWaalsContact O-CG1 3.29Å; K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.13Å; T189-I192 PolarHBondContact O-N 2.76Å; I190-I192 PolarHBondContact O-N 2.9Å; I192-C195 PolarHBondContact O-N 2.9Å; I192-F196 HydrophobicContact CG2-CD2 3.63Å; I192-F196 HydrophobicContact CG2-CE2 3.68Å; I192-F196 WeakPolarHBondContact O-CD2 3.48Å; I192-F196 PolarHBondContact O-N 2.68Å
193Y97.7Very high96.2Very high155 Ų15542.6 Ų42.661%0.60821%0.209SC*.Hα-helixtrans-65-41.6179.5-73.7-61.9000112.3T189 I190 L191 F196 S197T189-Y193 HydrophobicContact CG2-CD2 3.82Å; T189-Y193 HydrophobicContact CG2-CE2 3.41Å; T189-Y193 VanDerWaalsContact CG2-CE2 3.41Å; T189-Y193 WeakPolarHBondContact O-CD2 3.33Å; T189-Y193 PolarHBondContact O-N 3.32Å; T189-Y193 VanDerWaalsContact O-N 3.15Å; I190-Y193 PolarHBondContact O-N 3.47Å; L191-Y193 PolarHBondContact O-N 2.86Å; Y193-F196 PolarHBondContact O-N 3.38Å; Y193-S197 WeakPolarHBondContact O-CB 3.46Å; Y193-S197 PolarHBondContact O-N 3.01Å; Y193-S197 PolarHBondContact O-OG 3.4Å
194L97.2Very high96.2Very high36 Ų3645.8 Ų45.819%0.18823%0.23CC..Hα-helixtrans-59.1-52.2175.3-72.2174.6000110.9I27 F31 I190 L191 F196 S197 F198I27-L194 HydrophobicContact CG2-CD1 4.21Å; I27-L194 HydrophobicContact CG2-CD2 4.43Å; F31-L194 HydrophobicContact CB-CD1 4.26Å; F31-L194 HydrophobicContact CD2-CD1 3.84Å; F31-L194 HydrophobicContact CE2-CD1 4.35Å; F31-L194 HydrophobicContact CG-CD1 4.01Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CG 3.02Å; I190-L194 PolarHBondContact O-N 2.92Å; L191-L194 PolarHBondContact O-N 3.37Å; L194-F196 PolarHBondContact O-N 3.03Å; L194-S197 PolarHBondContact O-N 2.72Å; L194-S197 PolarHBondContact O-OG 3.07Å; L194-F198 WeakPolarHBondContact O-CB 3.27Å; L194-F198 PolarHBondContact O-N 3.22Å
195C97.3Very high96.1Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-61.9-40.9179.6-70.50000112.7E97 I100 A101 L191 I192 F198 G199E97-C195 HydrophobicContact CB-CB 4.42Å; I100-C195 HydrophobicContact CG2-CB 4.33Å; A101-C195 HydrophobicContact CB-CB 4.01Å; L191-C195 WeakPolarHBondContact O-CB 3.44Å; L191-C195 PolarHBondContact O-N 3.39Å; L191-C195 PolarHBondContact O-SG 3.48Å; L191-C195 VanDerWaalsContact O-SG 3.34Å; I192-C195 PolarHBondContact O-N 2.9Å; C195-F198 PolarHBondContact O-N 2.75Å; C195-G199 PolarHBondContact O-N 3.24Å
196F96Very high95.9Very high67 Ų6742.6 Ų42.629%0.29422%0.215SC..Hα-helixtrans-63.9-47.9174.8-88.7-56.6000112.3A101 I192 Y193 L194 F198 G199 I200A101-F196 HydrophobicContact CB-CD1 4.08Å; A101-F196 HydrophobicContact CB-CD2 3.58Å; A101-F196 HydrophobicContact CB-CE1 3.99Å; A101-F196 HydrophobicContact CB-CE2 3.49Å; A101-F196 VanDerWaalsContact CB-CE2 3.49Å; A101-F196 HydrophobicContact CB-CG 3.86Å; A101-F196 HydrophobicContact CB-CZ 3.7Å; I192-F196 HydrophobicContact CG2-CD2 3.63Å; I192-F196 HydrophobicContact CG2-CE2 3.68Å; I192-F196 WeakPolarHBondContact O-CD2 3.48Å; I192-F196 PolarHBondContact O-N 2.68Å; Y193-F196 PolarHBondContact O-N 3.38Å; L194-F196 PolarHBondContact O-N 3.03Å; F196-F198 VanDerWaalsContact C-N 3.27Å; F196-F198 PolarHBondContact O-N 3.38Å; F196-G199 PolarHBondContact O-N 3.29Å; F196-I200 VanDerWaalsContact O-CG1 3.27Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.45Å
197S95.2Very high95.7Very high49 Ų4940.9 Ų40.934%0.34322%0.215SC..Hα-helixtrans-59.8-42.1179.668.50000111.3Y193 L194 I200 I201Y193-S197 WeakPolarHBondContact O-CB 3.46Å; Y193-S197 PolarHBondContact O-N 3.01Å; Y193-S197 PolarHBondContact O-OG 3.4Å; L194-S197 PolarHBondContact O-N 2.72Å; L194-S197 PolarHBondContact O-OG 3.07Å; S197-I200 PolarHBondContact O-N 3.46Å; S197-I201 WeakPolarHBondContact O-CD1 3.4Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.46Å; S197-I201 PolarHBondContact O-N 3.13Å; S197-I201 VanDerWaalsContact O-N 3.11Å
198F94.7Very high95.3Very high1 Ų144.2 Ų44.20%0.00423%0.23CC..Hα-helixtrans-72.8-42.1-178.2-167.1-151.8000112.1F21 F24 V28 E97 L194 C195 F196 I200 I201 H202F21-F198 HydrophobicContact CB-CE2 4.44Å; F21-F198 HydrophobicContact CB-CZ 4.24Å; F21-F198 AromaticContact CD1-CE2 3.66Å; F21-F198 HydrophobicContact CD1-CE2 3.66Å; F21-F198 HydrophobicContact CD1-CZ 4.27Å; F21-F198 HydrophobicContact CE1-CE2 4.3Å; F21-F198 HydrophobicContact CG-CE2 4.33Å; F24-F198 HydrophobicContact CB-CD1 4.09Å; F24-F198 HydrophobicContact CB-CD2 3.8Å; F24-F198 HydrophobicContact CB-CE1 3.88Å; F24-F198 HydrophobicContact CB-CE2 3.56Å; F24-F198 HydrophobicContact CB-CG 4.08Å; F24-F198 HydrophobicContact CB-CZ 3.6Å; F24-F198 AromaticContact CD2-CD2 3.93Å; F24-F198 HydrophobicContact CD2-CD2 3.93Å; F24-F198 AromaticContact CD2-CE2 3.91Å; F24-F198 HydrophobicContact CD2-CE2 3.91Å; F24-F198 AromaticContact CG-CD2 3.94Å; F24-F198 HydrophobicContact CG-CD2 3.94Å; F24-F198 HydrophobicContact CG-CE2 4.02Å; F24-F198 HydrophobicContact CG-CG 4.41Å; V28-F198 HydrophobicContact CG2-CD1 4.44Å; E97-F198 VanDerWaalsContact CD-CD1 3.49Å; E97-F198 WeakPolarHBondContact OE1-CD1 3.39Å; E97-F198 WeakPolarHBondContact OE1-CE1 3.12Å; L194-F198 WeakPolarHBondContact O-CB 3.27Å; L194-F198 PolarHBondContact O-N 3.22Å; C195-F198 PolarHBondContact O-N 2.75Å; F196-F198 VanDerWaalsContact C-N 3.27Å; F196-F198 PolarHBondContact O-N 3.38Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 2.94Å; F198-I201 PolarHBondContact O-N 3.01Å; F198-I201 VanDerWaalsContact O-N 3.15Å; F198-H202 AromaticContact CD1-CE1 3.83Å; F198-H202 AromaticContact CD2-CE1 3.84Å; F198-H202 AromaticContact CE1-CE1 3.32Å; F198-H202 WeakPolarHBondContact CE1-CE1 2.97Å; F198-H202 AromaticContact CE1-NE2 3.91Å; F198-H202 AromaticContact CE2-CD2 3.85Å; F198-H202 AromaticContact CE2-CE1 3.34Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.44Å; F198-H202 AromaticContact CE2-NE2 3.2Å; F198-H202 WeakPolarHBondContact CE2-NE2 3.11Å; F198-H202 AromaticContact CZ-CE1 3.05Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.4Å; F198-H202 AromaticContact CZ-NE2 3.14Å; F198-H202 WeakPolarHBondContact CZ-NE2 3.45Å; F198-H202 PolarHBondContact O-N 3.4Å
199G95.3Very high94.9Very high1 Ų144.5 Ų44.51%0.0123%0.233CC..Hα-helixtrans-59.8-38.2174.100000112.9M94 E97 C195 F196 H202 G203M94-G199 WeakPolarHBondContact CG-O 3.27Å; E97-G199 WeakPolarHBondContact OE2-CA 3.43Å; E97-G199 PolarHBondContact OE2-N 3.33Å; C195-G199 PolarHBondContact O-N 3.24Å; F196-G199 PolarHBondContact O-N 3.29Å; G199-H202 PolarHBondContact O-N 3.15Å; G199-G203 PolarHBondContact O-N 3.21Å
200I95Very high94.3Very high109 Ų10946.3 Ų46.356%0.55924%0.236SC*.Hα-helixtrans-66.4-45.5174.7-67.7165.5000110.8F196 S197 F198 H202 G203 V204F196-I200 VanDerWaalsContact O-CG1 3.27Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.45Å; S197-I200 PolarHBondContact O-N 3.46Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 2.94Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.15Å; I200-G203 PolarHBondContact O-N 3.06Å; I200-V204 HydrophobicContact CG2-CG2 4.49Å; I200-V204 WeakPolarHBondContact O-CG2 3.46Å; I200-V204 PolarHBondContact O-N 2.85Å
201I94.5Very high93.8Very high52 Ų5248.9 Ų48.927%0.26725%0.25SC..Hα-helixtrans-59.5-44.9177.2-67.9165000110.4L20 F21 F24 S197 F198 V204 Y205L20-I201 HydrophobicContact CD2-CG2 4.44Å; F21-I201 HydrophobicContact CE1-CG2 4.05Å; F24-I201 HydrophobicContact CE2-CD1 4.13Å; F24-I201 HydrophobicContact CZ-CD1 4.24Å; S197-I201 WeakPolarHBondContact O-CD1 3.4Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.46Å; S197-I201 PolarHBondContact O-N 3.13Å; S197-I201 VanDerWaalsContact O-N 3.11Å; F198-I201 PolarHBondContact O-N 3.01Å; F198-I201 VanDerWaalsContact O-N 3.15Å; I201-V204 PolarHBondContact O-N 3.39Å; I201-Y205 WeakPolarHBondContact O-CB 3.35Å; I201-Y205 PolarHBondContact O-N 3.16Å
202H93.9Very high93.1Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-58.2-47.3173.7-78.4153.9000112F21 L90 M94 E97 F198 G199 I200 V204 Y205 L206F21-H202 AromaticContact CD1-CD2 3.92Å; F21-H202 AromaticContact CD1-NE2 3.78Å; F21-H202 AromaticContact CE1-CD2 3.63Å; F21-H202 AromaticContact CG-NE2 3.81Å; F21-H202 AromaticContact CZ-CD2 3.69Å; L90-H202 WeakPolarHBondContact CD1-NE2 3.43Å; M94-H202 HydrophobicContact CB-CB 3.98Å; M94-H202 HydrophobicContact CG-CB 3.95Å; E97-H202 IonicContact OE1-CE1 3.7Å; E97-H202 IonicContact OE1-ND1 3.86Å; E97-H202 IonicContact OE2-CE1 3.52Å; E97-H202 IonicContact OE2-ND1 2.88Å; E97-H202 PolarHBondContact OE2-ND1 3.18Å; F198-H202 AromaticContact CD1-CE1 3.83Å; F198-H202 AromaticContact CD2-CE1 3.84Å; F198-H202 AromaticContact CE1-CE1 3.32Å; F198-H202 WeakPolarHBondContact CE1-CE1 2.97Å; F198-H202 AromaticContact CE1-NE2 3.91Å; F198-H202 AromaticContact CE2-CD2 3.85Å; F198-H202 AromaticContact CE2-CE1 3.34Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.44Å; F198-H202 AromaticContact CE2-NE2 3.2Å; F198-H202 WeakPolarHBondContact CE2-NE2 3.11Å; F198-H202 AromaticContact CZ-CE1 3.05Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.4Å; F198-H202 AromaticContact CZ-NE2 3.14Å; F198-H202 WeakPolarHBondContact CZ-NE2 3.45Å; F198-H202 PolarHBondContact O-N 3.4Å; G199-H202 PolarHBondContact O-N 3.15Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.15Å; H202-V204 PolarHBondContact O-N 2.81Å; H202-Y205 PolarHBondContact O-N 3Å; H202-L206 WeakPolarHBondContact O-CB 3.47Å; H202-L206 VanDerWaalsContact O-CG 3.32Å; H202-L206 WeakPolarHBondContact O-CG 3.37Å; H202-L206 PolarHBondContact O-N 3.41Å
203G94.2Very high92.2Very high24 Ų2452.7 Ų52.725%0.24727%0.268CS..Hα-helixtrans-59.8-44.8179.100000112.9M94 G199 I200 L206 L207M94-G203 VanDerWaalsContact SD-CA 3.52Å; G199-G203 PolarHBondContact O-N 3.21Å; I200-G203 PolarHBondContact O-N 3.06Å; G203-L206 PolarHBondContact O-N 3.29Å; G203-L207 WeakPolarHBondContact O-CB 3.23Å; G203-L207 PolarHBondContact O-N 3.26Å
204V94.6Very high91.4Very high95 Ų9548.7 Ų48.758%0.57626%0.263SS*.Hα-helixtrans-64.1-44.8176.7173.70000111.2I200 I201 H202 L207 F208I200-V204 HydrophobicContact CG2-CG2 4.49Å; I200-V204 WeakPolarHBondContact O-CG2 3.46Å; I200-V204 PolarHBondContact O-N 2.85Å; I201-V204 PolarHBondContact O-N 3.39Å; H202-V204 PolarHBondContact O-N 2.81Å; V204-L207 PolarHBondContact O-N 3.32Å; V204-F208 PolarHBondContact O-N 2.05Å
205Y94.2Very high90.4Very high9 Ų952.4 Ų52.44%0.03528%0.282CS..Hα-helixtrans-63.5-42.5177.9173.4-91.7000112.4F14 F17 F21 Y86 L90 I201 H202 F208 S209F14-Y205 WeakPolarHBondContact CD2-OH 3.33Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.24Å; F17-Y205 HydrophobicContact CB-CD2 3.82Å; F17-Y205 HydrophobicContact CB-CE2 3.65Å; F17-Y205 AromaticContact CD1-CD2 4Å; F17-Y205 HydrophobicContact CD1-CD2 4Å; F17-Y205 AromaticContact CD2-CD2 3.64Å; F17-Y205 HydrophobicContact CD2-CD2 3.64Å; F17-Y205 AromaticContact CD2-CE2 3.79Å; F17-Y205 HydrophobicContact CD2-CE2 3.79Å; F17-Y205 HydrophobicContact CE1-CD2 4.49Å; F17-Y205 HydrophobicContact CE2-CD2 4.16Å; F17-Y205 AromaticContact CG-CD2 3.55Å; F17-Y205 HydrophobicContact CG-CD2 3.55Å; F17-Y205 AromaticContact CG-CE2 3.81Å; F17-Y205 HydrophobicContact CG-CE2 3.81Å; F21-Y205 AromaticContact CE2-CD1 3.84Å; F21-Y205 HydrophobicContact CE2-CD1 3.84Å; F21-Y205 HydrophobicContact CE2-CE1 4.02Å; F21-Y205 HydrophobicContact CE2-CG 4.11Å; F21-Y205 AromaticContact CZ-CD1 3.82Å; F21-Y205 HydrophobicContact CZ-CD1 3.82Å; F21-Y205 HydrophobicContact CZ-CD2 4.12Å; F21-Y205 HydrophobicContact CZ-CE1 4.41Å; F21-Y205 AromaticContact CZ-CG 3.67Å; F21-Y205 HydrophobicContact CZ-CG 3.67Å; Y86-Y205 HydrophobicContact CE1-CE1 4.01Å; Y86-Y205 AromaticContact CZ-CE1 3.98Å; Y86-Y205 WeakPolarHBondContact OH-CE1 3.06Å; Y86-Y205 PolarHBondContact OH-OH 3.21Å; L90-Y205 HydrophobicContact CD2-CD1 3.57Å; L90-Y205 HydrophobicContact CD2-CE1 3.68Å; I201-Y205 WeakPolarHBondContact O-CB 3.35Å; I201-Y205 PolarHBondContact O-N 3.16Å; H202-Y205 PolarHBondContact O-N 3Å; Y205-F208 PolarHBondContact O-N 3.24Å; Y205-S209 WeakPolarHBondContact CE1-OG 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.31Å; Y205-S209 PolarHBondContact O-N 3.09Å; Y205-S209 PolarHBondContact O-OG 3.35Å
206L93.5Very high89.4Confident7 Ų754 Ų544%0.03729%0.292CS..Hα-helixtrans-63.3-46.8176.6-78.5169.2000110.5L87 L90 M94 H202 G203 F208 S209 F210L87-L206 HydrophobicContact CD2-CD2 3.92Å; L90-L206 HydrophobicContact CB-CD2 4.25Å; L90-L206 HydrophobicContact CD2-CD2 3.88Å; L90-L206 HydrophobicContact CD2-CG 4.06Å; L90-L206 HydrophobicContact CG-CD2 4.33Å; L90-L206 HydrophobicContact CG-CG 4.44Å; M94-L206 HydrophobicContact CB-CD1 4.41Å; M94-L206 HydrophobicContact SD-CD1 4.01Å; H202-L206 WeakPolarHBondContact O-CB 3.47Å; H202-L206 VanDerWaalsContact O-CG 3.32Å; H202-L206 WeakPolarHBondContact O-CG 3.37Å; H202-L206 PolarHBondContact O-N 3.41Å; G203-L206 PolarHBondContact O-N 3.29Å; L206-F208 VanDerWaalsContact C-N 3.35Å; L206-F208 PolarHBondContact O-N 3.47Å; L206-S209 WeakPolarHBondContact O-CB 3.46Å; L206-S209 PolarHBondContact O-N 2.77Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L206-F210 HydrophobicContact CB-CD2 4.37Å; L206-F210 HydrophobicContact CB-CE2 4.3Å; L206-F210 HydrophobicContact CD2-CE2 4.31Å; L206-F210 WeakPolarHBondContact O-CD2 3.46Å; L206-F210 PolarHBondContact O-N 2.87Å
207L92Very high88.3Confident107 Ų10756.1 Ų56.156%0.5630%0.301SS*.Hα-helixtrans-57-49176.5178.763.1000111.3G203 V204 S209 F210 L211G203-L207 WeakPolarHBondContact O-CB 3.23Å; G203-L207 PolarHBondContact O-N 3.26Å; V204-L207 PolarHBondContact O-N 3.32Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3Å; L207-F210 PolarHBondContact O-N 3.04Å; L207-L211 HydrophobicContact CD1-CD1 4.34Å; L207-L211 HydrophobicContact CD1-CG 4.36Å; L207-L211 HydrophobicContact CG-CD1 4.19Å; L207-L211 VanDerWaalsContact O-CG 3.31Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.12Å
208F89.8Confident87.3Confident92 Ų9259.4 Ų59.440%0.40431%0.314SS..Hα-helixtrans-58.1-47.3175.5179.9-100.9000111.4L13 V204 Y205 L206 F210 L211 M212L13-F208 HydrophobicContact CD2-CE1 4.09Å; L13-F208 HydrophobicContact CD2-CZ 4.42Å; V204-F208 PolarHBondContact O-N 2.05Å; Y205-F208 PolarHBondContact O-N 3.24Å; L206-F208 VanDerWaalsContact C-N 3.35Å; L206-F208 PolarHBondContact O-N 3.47Å; F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 3.33Å; F208-L211 PolarHBondContact O-N 3.3Å; F208-M212 HydrophobicContact CD1-CG 4.17Å; F208-M212 HydrophobicContact CD2-CG 4.41Å; F208-M212 HydrophobicContact CE1-CG 3.82Å; F208-M212 HydrophobicContact CE2-CG 4.08Å; F208-M212 HydrophobicContact CE2-SD 4.11Å; F208-M212 HydrophobicContact CG-CG 4.46Å; F208-M212 HydrophobicContact CZ-CE 4.48Å; F208-M212 HydrophobicContact CZ-CG 3.77Å; F208-M212 HydrophobicContact CZ-SD 3.91Å; F208-M212 WeakPolarHBondContact O-CB 3.47Å; F208-M212 WeakPolarHBondContact O-CG 3.34Å; F208-M212 PolarHBondContact O-N 2.83Å
209S87.9Confident85.8Confident16 Ų1661.6 Ų61.611%0.11234%0.337CS..Hα-helixtrans-59.8-42.5178.5-60.80000112.3Y205 L206 L207 M212 I213Y205-S209 WeakPolarHBondContact CE1-OG 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.31Å; Y205-S209 PolarHBondContact O-N 3.09Å; Y205-S209 PolarHBondContact O-OG 3.35Å; L206-S209 WeakPolarHBondContact O-CB 3.46Å; L206-S209 PolarHBondContact O-N 2.77Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3Å; S209-M212 PolarHBondContact O-N 3.3Å; S209-I213 WeakPolarHBondContact O-CD1 3.28Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.48Å; S209-I213 PolarHBondContact O-N 3.31Å
210F85.2Confident84.4Confident98 Ų9866.5 Ų66.543%0.4336%0.358SS..Hα-helixtrans-64.7-47176.8-80.8-64.5000112.1L206 L207 F208 M212 I213 C214L206-F210 HydrophobicContact CB-CD2 4.37Å; L206-F210 HydrophobicContact CB-CE2 4.3Å; L206-F210 HydrophobicContact CD2-CE2 4.31Å; L206-F210 WeakPolarHBondContact O-CD2 3.46Å; L206-F210 PolarHBondContact O-N 2.87Å; L207-F210 PolarHBondContact O-N 3.04Å; F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 3.33Å; F210-M212 VanDerWaalsContact C-N 3.29Å; F210-M212 PolarHBondContact O-N 3.44Å; F210-I213 PolarHBondContact O-N 3.04Å; F210-I213 VanDerWaalsContact O-N 3.16Å; F210-C214 PolarHBondContact O-N 2.86Å; F210-C214 PolarHBondContact O-SG 3.46Å; F210-C214 VanDerWaalsContact O-SG 3.34Å
211L86.1Confident82.9Confident95 Ų9566.4 Ų66.450%0.49736%0.357SS..Hα-helixtrans-58-43.3177.3-70.1173000111.4L207 F208 I213 C214 I215L207-L211 HydrophobicContact CD1-CD1 4.34Å; L207-L211 HydrophobicContact CD1-CG 4.36Å; L207-L211 HydrophobicContact CG-CD1 4.19Å; L207-L211 VanDerWaalsContact O-CG 3.31Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.12Å; F208-L211 PolarHBondContact O-N 3.3Å; L211-I213 PolarHBondContact O-N 2.8Å; L211-C214 PolarHBondContact O-N 2.94Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.04Å
212M82.3Confident81.2Confident56 Ų5665.4 Ų65.428%0.27636%0.36SS..Hα-helixtrans-64-39.1177.7-66.8-63.3-67.200112.6L6 F208 S209 F210 S216L6-M212 HydrophobicContact CD2-CE 3.08Å; F208-M212 HydrophobicContact CD1-CG 4.17Å; F208-M212 HydrophobicContact CD2-CG 4.41Å; F208-M212 HydrophobicContact CE1-CG 3.82Å; F208-M212 HydrophobicContact CE2-CG 4.08Å; F208-M212 HydrophobicContact CE2-SD 4.11Å; F208-M212 HydrophobicContact CG-CG 4.46Å; F208-M212 HydrophobicContact CZ-CE 4.48Å; F208-M212 HydrophobicContact CZ-CG 3.77Å; F208-M212 HydrophobicContact CZ-SD 3.91Å; F208-M212 WeakPolarHBondContact O-CB 3.47Å; F208-M212 WeakPolarHBondContact O-CG 3.34Å; F208-M212 PolarHBondContact O-N 2.83Å; S209-M212 PolarHBondContact O-N 3.3Å; F210-M212 VanDerWaalsContact C-N 3.29Å; F210-M212 PolarHBondContact O-N 3.44Å; M212-S216 WeakPolarHBondContact O-CB 3.41Å; M212-S216 PolarHBondContact O-N 3.08Å; M212-S216 VanDerWaalsContact O-N 3.09Å
213I80.7Confident79.5Confident37 Ų3768.5 Ų68.519%0.1938%0.381CS..Hα-helixtrans-66.5-41.8175.3-69.6164.9000110.9M1 L87 S209 F210 L211 S216 K217M1-I213 HydrophobicContact CE-CG1 4.5Å; L87-I213 HydrophobicContact CD1-CD1 3.55Å; S209-I213 WeakPolarHBondContact O-CD1 3.28Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.48Å; S209-I213 PolarHBondContact O-N 3.31Å; F210-I213 PolarHBondContact O-N 3.04Å; F210-I213 VanDerWaalsContact O-N 3.16Å; L211-I213 PolarHBondContact O-N 2.8Å; I213-S216 PolarHBondContact O-N 3.2Å; I213-K217 PolarHBondContact O-N 2.52Å; I213-K217 VanDerWaalsContact O-N 3.08Å
214C79.3Confident77.9Confident72 Ų7270.8 Ų70.849%0.48639%0.394SS..Hα-helixtrans-61.3-48.5177.1-71.60000111.8F210 L211 S216 K217 I218F210-C214 PolarHBondContact O-N 2.86Å; F210-C214 PolarHBondContact O-SG 3.46Å; F210-C214 VanDerWaalsContact O-SG 3.34Å; L211-C214 PolarHBondContact O-N 2.94Å; C214-S216 VanDerWaalsContact C-N 3.32Å; C214-S216 PolarHBondContact O-N 3.45Å; C214-K217 PolarHBondContact O-N 2.97Å; C214-I218 WeakPolarHBondContact O-CG1 3.49Å; C214-I218 PolarHBondContact O-N 2.7Å; C214-I218 VanDerWaalsContact O-N 3.11Å
215I77.4Confident76.3Confident114 Ų11472.6 Ų72.659%0.58540%0.396SS*.Hα-helixtrans-60.1-42.9177.9-66.8165.8000110.8L211 K217 I218 G219L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 3.49Å; I215-I218 PolarHBondContact O-N 2.82Å; I215-G219 PolarHBondContact O-N 3.38Å
216S74.8Confident74.8Confident32 Ų3276 Ų7622%0.22442%0.418CS..Hα-helixtrans-64.2-36178.7-174.10000113.2M1 M212 I213 C214 K220M1-S216 WeakPolarHBondContact CE-OG 3.43Å; M212-S216 WeakPolarHBondContact O-CB 3.41Å; M212-S216 PolarHBondContact O-N 3.08Å; M212-S216 VanDerWaalsContact O-N 3.09Å; I213-S216 PolarHBondContact O-N 3.2Å; C214-S216 VanDerWaalsContact C-N 3.32Å; C214-S216 PolarHBondContact O-N 3.45Å; S216-K220 PolarHBondContact O-N 2.84Å
217K73.9Confident73.2Confident112 Ų11279.6 Ų79.649%0.48744%0.443SS..Hα-helixtrans-67.8-42.3175.2-76-173.6179.7-177.30112I213 C214 I215 K220 I221I213-K217 PolarHBondContact O-N 2.52Å; I213-K217 VanDerWaalsContact O-N 3.08Å; C214-K217 PolarHBondContact O-N 2.97Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 3.49Å; K217-K220 PolarHBondContact O-N 3.37Å; K217-I221 WeakPolarHBondContact O-CG1 3.39Å; K217-I221 PolarHBondContact O-N 3.39Å; K217-I221 VanDerWaalsContact O-N 3.15Å
218I74Confident71.9Confident118 Ų11878 Ų7861%0.60544%0.44SS*.Hα-helixtrans-62.1-44.5177.7-65.1165000110.6C214 I215 K220 I221 G222C214-I218 WeakPolarHBondContact O-CG1 3.49Å; C214-I218 PolarHBondContact O-N 2.7Å; C214-I218 VanDerWaalsContact O-N 3.11Å; I215-I218 PolarHBondContact O-N 2.82Å; I218-K220 VanDerWaalsContact C-N 3.31Å; I218-K220 PolarHBondContact O-N 3.3Å; I218-I221 PolarHBondContact O-N 3.03Å; I218-I221 VanDerWaalsContact O-N 3.17Å; I218-G222 PolarHBondContact O-N 3.45Å
219G64.3Low70.7Confident47 Ų4777 Ų7749%0.48544%0.444SS..Hα-helixtrans-59.6-38.1177.700000113.5I215 S223I215-G219 PolarHBondContact O-N 3.38Å; G219-S223 PolarHBondContact O-N 2.72Å; G219-S223 PolarHBondContact O-OG 3.13Å
220K64.2Low69.7Low104 Ų10481.1 Ų81.145%0.45247%0.465SS..Hα-helixtrans-69.4-36.1175.7-75-175.3-180-179.90113.5S216 K217 I218 S223 S224S216-K220 PolarHBondContact O-N 2.84Å; K217-K220 PolarHBondContact O-N 3.37Å; I218-K220 VanDerWaalsContact C-N 3.31Å; I218-K220 PolarHBondContact O-N 3.3Å; K220-S223 WeakPolarHBondContact CA-OG 3.25Å; K220-S223 PolarHBondContact O-OG 3.22Å; K220-S223 VanDerWaalsContact O-OG 3.06Å; K220-S224 VanDerWaalsContact O-CB 3.3Å; K220-S224 WeakPolarHBondContact O-CB 3.49Å; K220-S224 PolarHBondContact O-N 3.02Å
221I64.7Low68.5Low107 Ų10782.9 Ų82.955%0.54947%0.474SS..Hα-helixtrans-66.2-45.9176-66.3164.2000109.5K217 I218 S224 Q225K217-I221 WeakPolarHBondContact O-CG1 3.39Å; K217-I221 PolarHBondContact O-N 3.39Å; K217-I221 VanDerWaalsContact O-N 3.15Å; I218-I221 PolarHBondContact O-N 3.03Å; I218-I221 VanDerWaalsContact O-N 3.17Å; I221-S224 PolarHBondContact O-N 3.2Å; I221-Q225 PolarHBondContact O-N 3.2Å
222G58.8Low67.2Low31 Ų3182.3 Ų82.332%0.3248%0.475SS..Hα-helixtrans-64-41.2177.500000113.7I218 Q225 T226I218-G222 PolarHBondContact O-N 3.45Å; G222-Q225 PolarHBondContact O-N 2.86Å; G222-T226 PolarHBondContact O-N 3.45Å; G222-T226 PolarHBondContact O-OG1 3.5Å
223S58.2Low66.2Low65 Ų6587 Ų8746%0.45549%0.494SS..Hα-helixtrans-67.6-37.5175.365.60000112.2G219 K220 T226 C227G219-S223 PolarHBondContact O-N 2.72Å; G219-S223 PolarHBondContact O-OG 3.13Å; K220-S223 WeakPolarHBondContact CA-OG 3.25Å; K220-S223 PolarHBondContact O-OG 3.22Å; K220-S223 VanDerWaalsContact O-OG 3.06Å; S223-T226 PolarHBondContact O-N 3.02Å; S223-C227 PolarHBondContact O-N 3.3Å
224S60.9Low65.1Low72 Ų7289.8 Ų89.850%0.50351%0.513SS..Hα-helixtrans-65.6-39.8176.7-165.80000111.7K220 I221 C228K220-S224 VanDerWaalsContact O-CB 3.3Å; K220-S224 WeakPolarHBondContact O-CB 3.49Å; K220-S224 PolarHBondContact O-N 3.02Å; I221-S224 PolarHBondContact O-N 3.2Å; S224-C228 PolarHBondContact O-N 3.38Å; S224-C228 VanDerWaalsContact O-N 3.14Å; S224-C228 PolarHBondContact O-SG 3.28Å; S224-C228 VanDerWaalsContact O-SG 3.41Å
225Q61.3Low64.2Low133 Ų13391 Ų9162%0.62152%0.518SS*.Hα-helixtrans-64.7-41.5174.1-85.1-179-42.100112I221 G222 C228 S229I221-Q225 PolarHBondContact O-N 3.2Å; G222-Q225 PolarHBondContact O-N 2.86Å; Q225-C228 PolarHBondContact O-N 3.32Å; Q225-S229 PolarHBondContact O-N 3.46Å; Q225-S229 PolarHBondContact O-OG 3.16Å
226T61.7Low63.3Low82 Ų8292.4 Ų92.450%0.50353%0.526SS..Hα-helixtrans-63.5-44.3179.3-49.20000111.2G222 S223 C228 S229 D230G222-T226 PolarHBondContact O-N 3.45Å; G222-T226 PolarHBondContact O-OG1 3.5Å; S223-T226 PolarHBondContact O-N 3.02Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 3.23Å; T226-S229 PolarHBondContact O-N 3.38Å; T226-D230 PolarHBondContact O-N 3.43Å
227C59.4Low62.5Low82 Ų8299.2 Ų99.255%0.55456%0.555SS**Hα-helixtrans-62-38.4174.9-72.50000112.9S223 Q231S223-C227 PolarHBondContact O-N 3.3Å; C227-Q231 WeakPolarHBondContact O-CG 3.45Å; C227-Q231 PolarHBondContact O-N 3.29Å; C227-Q231 VanDerWaalsContact O-N 3.09Å
228C64.7Low61.2Low73 Ų73104.2 Ų104.249%0.49359%0.587SS.*Hα-helixtrans-66.2-38.7175.7-73.30000112S224 Q225 T226 Q231 T232S224-C228 PolarHBondContact O-N 3.38Å; S224-C228 VanDerWaalsContact O-N 3.14Å; S224-C228 PolarHBondContact O-SG 3.28Å; S224-C228 VanDerWaalsContact O-SG 3.41Å; Q225-C228 PolarHBondContact O-N 3.32Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 3.23Å; C228-Q231 PolarHBondContact O-N 3.18Å; C228-T232 PolarHBondContact O-N 3.29Å; C228-T232 VanDerWaalsContact O-N 3.16Å; C228-T232 PolarHBondContact O-OG1 3.28Å
229S65.9Low60.6Low72 Ų72103.5 Ų103.550%0.50359%0.586SS.*Hα-helixtrans-70.2-34.2177.6-67.70000113.6Q225 T226 T232 K233Q225-S229 PolarHBondContact O-N 3.46Å; Q225-S229 PolarHBondContact O-OG 3.16Å; T226-S229 PolarHBondContact O-N 3.38Å; S229-T232 PolarHBondContact O-OG1 2.99Å; S229-K233 PolarHBondContact O-N 2.82Å
230D65.6Low60.4Low101 Ų101106.5 Ų106.554%0.5459%0.591SS.*Hα-helixtrans-69.8-38.3173.6-81.5-21.1000111.5T226 T232 K233 T234T226-D230 PolarHBondContact O-N 3.43Å; D230-T232 PolarHBondContact O-N 3.07Å; D230-K233 PolarHBondContact O-N 3.05Å; D230-T234 PolarHBondContact O-N 3.23Å; D230-T234 PolarHBondContact O-OG1 3.16Å
231Q60.2Low60.2Low136 Ų136106.6 Ų106.664%0.63660%0.599SS**Hα-helixtrans-64.7-37.1176-78.7-173.7-30.100113.2C227 C228 K233 T234 T235C227-Q231 WeakPolarHBondContact O-CG 3.45Å; C227-Q231 PolarHBondContact O-N 3.29Å; C227-Q231 VanDerWaalsContact O-N 3.09Å; C228-Q231 PolarHBondContact O-N 3.18Å; Q231-K233 VanDerWaalsContact C-N 3.34Å; Q231-T234 PolarHBondContact O-N 2.98Å; Q231-T234 PolarHBondContact O-OG1 3.36Å; Q231-T235 PolarHBondContact O-OG1 3.08Å
232T59.6Low59.9Low82 Ų82106.6 Ų106.650%0.50360%0.602SS.*Hα-helixtrans-69.6-30.3176.645.60000112.9C228 S229 D230 T235C228-T232 PolarHBondContact O-N 3.29Å; C228-T232 VanDerWaalsContact O-N 3.16Å; C228-T232 PolarHBondContact O-OG1 3.28Å; S229-T232 PolarHBondContact O-OG1 2.99Å; D230-T232 PolarHBondContact O-N 3.07Å; T232-T235 PolarHBondContact O-OG1 2.88Å
233K59.7Low60Low155 Ų155111.3 Ų111.367%0.67462%0.62SS**Hα-helixtrans-68.8-36.4175.1-83-176.31781780112.8S229 D230 Q231 T235S229-K233 PolarHBondContact O-N 2.82Å; D230-K233 PolarHBondContact O-N 3.05Å; Q231-K233 VanDerWaalsContact C-N 3.34Å; K233-T235 VanDerWaalsContact C-N 3.3Å; K233-T235 PolarHBondContact O-N 2.93Å
234T59.1Low60.1Low96 Ų96114.4 Ų114.459%0.58963%0.631SS**Hα-helixtrans-72.3-19.2179.340.60000114.3D230 Q231D230-T234 PolarHBondContact O-N 3.23Å; D230-T234 PolarHBondContact O-OG1 3.16Å; Q231-T234 PolarHBondContact O-N 2.98Å; Q231-T234 PolarHBondContact O-OG1 3.36Å
235T59.4Low60Low98 Ų98117.4 Ų117.460%0.60164%0.64SS**THydrogen-bonded Turntrans-86.6-12.7177.743.10000114.4Q231 T232 K233Q231-T235 PolarHBondContact O-OG1 3.08Å; T232-T235 PolarHBondContact O-OG1 2.88Å; K233-T235 VanDerWaalsContact C-N 3.3Å; K233-T235 PolarHBondContact O-N 2.93Å
236D59.8Low59.9Low142 Ų142116.2 Ų116.276%0.75964%0.641SS**SBendtrans-92.41.9179.6-72.4-25.6000112.9
237E56.1Low59.8Low176 Ų176119.1 Ų119.182%0.82265%0.653SS**  trans-111.16.8-176.1-121.7167-179.100114.7
238D47.6Very low59.8Low216 Ų216122.5 Ų122.5100%1.15566%0.661SS**  trans-110.10169.7-77.2-30.6000111.5

Retrieved 238 of 238 residues in 73 ms (Link to these results)

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