A0A087XCC1_POEFO Loading...

Cornichon family member 4

AlphaFold DB , UniProt , Accession A0A087XCC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 139 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
1M64.3Low82.8Confident185 Ų18564 Ų6491%0.91134%0.343SS*.  0-35.80-170177-72.700110.9T4M1-T4 PolarHBondContact O-N 3.22Å
2E71.9Confident83.5Confident97 Ų9760.9 Ų60.945%0.45333%0.326SS..Hα-helixtrans-65.7-39.2177.9-53.7-147.7136.500113.1T4 V5 F6 H67E2-T4 PolarHBondContact O-N 3.36Å; E2-V5 PolarHBondContact O-N 3.44Å; E2-F6 HydrophobicContact CB-CD2 4.46Å; E2-F6 HydrophobicContact CB-CE2 4.21Å; E2-F6 WeakPolarHBondContact O-CD2 3.43Å; E2-F6 PolarHBondContact O-N 3.31Å; E2-H67 IonicContact OE1-CE1 2.74Å; E2-H67 IonicContact OE2-CE1 3.79Å
3A78Confident84.1Confident10 Ų1056.5 Ų56.58%0.08330%0.303CS..Hα-helixtrans-54.9-38.3175.600000113F6 I7 L136A3-F6 PolarHBondContact O-N 2.74Å; A3-I7 WeakPolarHBondContact O-CD1 3.12Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.21Å; A3-L136 HydrophobicContact CB-CD1 4.38Å
4T82.9Confident84.7Confident86 Ų8656.9 Ų56.953%0.52831%0.311SS..Hα-helixtrans-66.9-38.1178-46.40000112.1M1 E2 I7 L8M1-T4 PolarHBondContact O-N 3.22Å; E2-T4 PolarHBondContact O-N 3.36Å; T4-I7 PolarHBondContact O-N 3.42Å; T4-L8 WeakPolarHBondContact O-CG 3.17Å; T4-L8 PolarHBondContact O-N 3.44Å
5V84.9Confident85.2Confident28 Ų2856.9 Ų56.917%0.1732%0.322CS..Hα-helixtrans-66.6-42.2176.3-178.60000110.3E2 L8 S9 L61 M62 S65E2-V5 PolarHBondContact O-N 3.44Å; V5-L8 PolarHBondContact O-N 3.05Å; V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.27Å; V5-S9 PolarHBondContact O-OG 3.04Å; V5-L61 HydrophobicContact CG1-CB 4.16Å; V5-M62 HydrophobicContact CG1-CE 4.02Å; V5-S65 WeakPolarHBondContact CG1-OG 3.24Å
6F84.6Confident85.6Confident4 Ų454 Ų542%0.01831%0.305CS..Hα-helixtrans-64.3-42176.1-71.6-60.6000112.6E2 A3 L8 S9 L10 M62 H67 I70 M132 A135E2-F6 HydrophobicContact CB-CD2 4.46Å; E2-F6 HydrophobicContact CB-CE2 4.21Å; E2-F6 WeakPolarHBondContact O-CD2 3.43Å; E2-F6 PolarHBondContact O-N 3.31Å; A3-F6 PolarHBondContact O-N 2.74Å; F6-L8 PolarHBondContact O-N 3.03Å; F6-S9 WeakPolarHBondContact CA-OG 3.5Å; F6-S9 PolarHBondContact O-N 3.07Å; F6-S9 PolarHBondContact O-OG 3.43Å; F6-L10 PolarHBondContact O-N 3.08Å; F6-M62 HydrophobicContact CD1-CE 4.41Å; F6-M62 HydrophobicContact CE1-SD 4.38Å; F6-H67 AromaticContact CZ-CD2 3.84Å; F6-H67 AromaticContact CZ-CE1 3.74Å; F6-H67 AromaticContact CZ-NE2 3.51Å; F6-I70 HydrophobicContact CE1-CD1 4.08Å; F6-M132 HydrophobicContact CB-CB 3.86Å; F6-M132 HydrophobicContact CB-CG 4.12Å; F6-A135 HydrophobicContact CD2-CB 3.9Å; F6-A135 HydrophobicContact CE2-CB 4.01Å
7I87.1Confident86Confident82 Ų8252.9 Ų52.942%0.42130%0.298SS..Hα-helixtrans-60.7-45.5175.3-68.7163.5000111A3 T4 S9 L10 V11 M132A3-I7 WeakPolarHBondContact O-CD1 3.12Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 3.42Å; I7-S9 PolarHBondContact O-N 3.38Å; I7-L10 WeakPolarHBondContact O-CB 3.42Å; I7-L10 PolarHBondContact O-N 2.92Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 2.83Å; I7-V11 VanDerWaalsContact O-N 3.07Å; I7-M132 HydrophobicContact CG1-CG 4.24Å; I7-M132 HydrophobicContact CG1-SD 3.81Å
8L88.3Confident86.4Confident97 Ų9758.8 Ų58.851%0.50832%0.32SS..Hα-helixtrans-62.7-42.1176.6-74172.3000112T4 V5 F6 L10 V11 D12T4-L8 WeakPolarHBondContact O-CG 3.17Å; T4-L8 PolarHBondContact O-N 3.44Å; V5-L8 PolarHBondContact O-N 3.05Å; F6-L8 PolarHBondContact O-N 3.03Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.94Å; L8-V11 PolarHBondContact O-N 3.42Å; L8-D12 PolarHBondContact O-N 3.1Å
9S87.9Confident86.6Confident0 Ų056.4 Ų56.40%031%0.307CS..Hα-helixtrans-65.9-32.8176.9730000113.2V5 F6 I7 C13 M62V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.27Å; V5-S9 PolarHBondContact O-OG 3.04Å; F6-S9 WeakPolarHBondContact CA-OG 3.5Å; F6-S9 PolarHBondContact O-N 3.07Å; F6-S9 PolarHBondContact O-OG 3.43Å; I7-S9 PolarHBondContact O-N 3.38Å; S9-C13 VanDerWaalsContact O-CB 3.22Å; S9-C13 WeakPolarHBondContact O-CB 3.46Å; S9-C13 PolarHBondContact O-N 3.5Å; S9-M62 VanDerWaalsContact CB-CE 3.41Å
10L89.6Confident86.8Confident21 Ų2153.8 Ų53.811%0.1129%0.293CS..Hα-helixtrans-65.5-44.1172.4-88.3163.5000111.5F6 I7 L8 C13 C14 F125 L129 M132F6-L10 PolarHBondContact O-N 3.08Å; I7-L10 WeakPolarHBondContact O-CB 3.42Å; I7-L10 PolarHBondContact O-N 2.92Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.94Å; L10-C13 PolarHBondContact O-N 3.27Å; L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3.21Å; L10-C14 VanDerWaalsContact O-SG 3.38Å; L10-F125 HydrophobicContact CD2-CD2 3.65Å; L10-F125 HydrophobicContact CD2-CE2 3.52Å; L10-F125 HydrophobicContact CD2-CG 4.4Å; L10-F125 HydrophobicContact CD2-CZ 4.2Å; L10-L129 HydrophobicContact CD2-CB 4.27Å; L10-M132 HydrophobicContact CD1-CB 4.08Å; L10-M132 HydrophobicContact CD1-CE 4.47Å; L10-M132 HydrophobicContact CD1-CG 4.27Å; L10-M132 HydrophobicContact CD1-SD 3.5Å; L10-M132 VanDerWaalsContact CD1-SD 3.5Å
11V91.6Very high87.1Confident94 Ų9453.8 Ų53.857%0.5730%0.295SS*.Hα-helixtrans-63.3-44.1177.2174.50000110.9I7 L8 C14 A15I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 2.83Å; I7-V11 VanDerWaalsContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 3.42Å; V11-C14 WeakPolarHBondContact O-CB 3.41Å; V11-C14 PolarHBondContact O-N 3.45Å; V11-A15 PolarHBondContact O-N 3.02Å
12D90.7Very high88.5Confident27 Ų2748.1 Ų48.114%0.14426%0.263CS..Hα-helixtrans-62.2-43.6175.2-171.973.1000111.6L8 C14 A15 L16 G54 S58L8-D12 PolarHBondContact O-N 3.1Å; D12-C14 PolarHBondContact O-N 3.13Å; D12-A15 WeakPolarHBondContact O-CB 3.45Å; D12-A15 PolarHBondContact O-N 3.48Å; D12-A15 VanDerWaalsContact O-N 3.11Å; D12-L16 WeakPolarHBondContact O-CG 3.34Å; D12-L16 PolarHBondContact O-N 3.17Å; D12-L16 WeakPolarHBondContact OD2-CD1 3.36Å; D12-G54 VanDerWaalsContact OD2-O 3.07Å; D12-S58 PolarHBondContact OD2-OG 3.44Å
13C91.4Very high89.3Confident3 Ų344 Ų442%0.0224%0.244CC..Hα-helixtrans-60.5-43175.9-167.70000112.2S9 L10 A15 L16 I17 H121 Y128S9-C13 VanDerWaalsContact O-CB 3.22Å; S9-C13 WeakPolarHBondContact O-CB 3.46Å; S9-C13 PolarHBondContact O-N 3.5Å; L10-C13 PolarHBondContact O-N 3.27Å; C13-A15 VanDerWaalsContact C-N 3.32Å; C13-A15 PolarHBondContact O-N 3.36Å; C13-L16 PolarHBondContact O-N 2.91Å; C13-I17 VanDerWaalsContact O-CG1 3.3Å; C13-I17 WeakPolarHBondContact O-CG1 3.25Å; C13-I17 PolarHBondContact O-N 3.13Å; C13-H121 PolarHBondContact SG-O 3Å; C13-Y128 HydrophobicContact CB-CD2 3.94Å; C13-Y128 HydrophobicContact CB-CE2 4.03Å
14C92.4Very high89.9Confident62 Ų6244.9 Ų44.942%0.41925%0.247SC..Hα-helixtrans-58.7-43.2173-76.20000112.1L10 V11 D12 I17 F18 F125L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3.21Å; L10-C14 VanDerWaalsContact O-SG 3.38Å; V11-C14 WeakPolarHBondContact O-CB 3.41Å; V11-C14 PolarHBondContact O-N 3.45Å; D12-C14 PolarHBondContact O-N 3.13Å; C14-I17 PolarHBondContact O-N 3.07Å; C14-F18 PolarHBondContact O-N 3.2Å; C14-F125 VanDerWaalsContact SG-CE2 3.5Å
15A93.1Very high90.3Very high57 Ų5745 Ų4547%0.47124%0.243SC..Hα-helixtrans-63.1-42.3176.800000111.6V11 D12 C13 F18 L19V11-A15 PolarHBondContact O-N 3.02Å; D12-A15 WeakPolarHBondContact O-CB 3.45Å; D12-A15 PolarHBondContact O-N 3.48Å; D12-A15 VanDerWaalsContact O-N 3.11Å; C13-A15 VanDerWaalsContact C-N 3.32Å; C13-A15 PolarHBondContact O-N 3.36Å; A15-F18 PolarHBondContact O-N 3.46Å; A15-L19 VanDerWaalsContact O-CB 3.23Å; A15-L19 WeakPolarHBondContact O-CB 3.21Å; A15-L19 PolarHBondContact O-N 2.86Å
16L90.6Very high90.5Very high11 Ų1144 Ų446%0.05824%0.237CC..Hα-helixtrans-66.7-36.9176.7-68.9172.4000112.8D12 C13 S20 E51 Q55D12-L16 WeakPolarHBondContact O-CG 3.34Å; D12-L16 PolarHBondContact O-N 3.17Å; D12-L16 WeakPolarHBondContact OD2-CD1 3.36Å; C13-L16 PolarHBondContact O-N 2.91Å; L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.39Å; L16-E51 HydrophobicContact CD2-CG 4.33Å; L16-Q55 HydrophobicContact CD1-CG 3.93Å; L16-Q55 HydrophobicContact CD2-CG 4.21Å
17I92.6Very high90.6Very high36 Ų3643.9 Ų43.919%0.18524%0.237CC..Hα-helixtrans-63.3-49.9173-70.7168.1000110C13 C14 L19 S20 V21 L118 H121 F125C13-I17 VanDerWaalsContact O-CG1 3.3Å; C13-I17 WeakPolarHBondContact O-CG1 3.25Å; C13-I17 PolarHBondContact O-N 3.13Å; C14-I17 PolarHBondContact O-N 3.07Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 3.22Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.74Å; I17-S20 VanDerWaalsContact O-N 3.15Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.38Å; I17-L118 HydrophobicContact CG2-CD1 3.95Å; I17-H121 HydrophobicContact CD1-CB 4.47Å; I17-H121 HydrophobicContact CG1-CB 3.65Å; I17-F125 HydrophobicContact CD1-CB 4.02Å; I17-F125 HydrophobicContact CD1-CD2 4.41Å; I17-F125 HydrophobicContact CD1-CG 4.35Å
18F93.3Very high90.7Very high158 Ų15842.1 Ų42.169%0.69323%0.232SC*.Hα-helixtrans-58.9-43.6179.3-175.8-96.9000111.6C14 A15 V21 Y22C14-F18 PolarHBondContact O-N 3.2Å; A15-F18 PolarHBondContact O-N 3.46Å; F18-V21 PolarHBondContact O-N 2.86Å; F18-Y22 WeakPolarHBondContact O-CB 3.23Å; F18-Y22 PolarHBondContact O-N 3.49Å
19L91.1Very high90.8Very high14 Ų1440.3 Ų40.37%0.07322%0.223CC..Hα-helixtrans-65.8-38.9176.6-179.3133.4000112A15 I17 V21 Y22 F23 W47 P50 E51A15-L19 VanDerWaalsContact O-CB 3.23Å; A15-L19 WeakPolarHBondContact O-CB 3.21Å; A15-L19 PolarHBondContact O-N 2.86Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 3.22Å; L19-V21 PolarHBondContact O-N 3.39Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 2.88Å; L19-F23 HydrophobicContact CD2-CD2 3.91Å; L19-F23 HydrophobicContact CD2-CE2 3.45Å; L19-F23 VanDerWaalsContact CD2-CE2 3.45Å; L19-F23 HydrophobicContact CG-CD2 4.18Å; L19-F23 HydrophobicContact CG-CE2 3.84Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 3.27Å; L19-W47 HydrophobicContact CD1-CB 4.26Å; L19-W47 HydrophobicContact CD1-CD2 4.29Å; L19-W47 HydrophobicContact CD1-CE3 3.53Å; L19-W47 HydrophobicContact CD1-CZ3 4.21Å; L19-P50 HydrophobicContact CD1-CB 4.36Å; L19-E51 HydrophobicContact CD2-CB 3.62Å; L19-E51 HydrophobicContact CD2-CG 3.55Å
20S90.4Very high90.7Very high3 Ų340.8 Ų40.82%0.02123%0.225CC..Hα-helixtrans-61.7-42.6172.7-61.40000112L16 I17 F23 I24L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.39Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.74Å; I17-S20 VanDerWaalsContact O-N 3.15Å; S20-F23 WeakPolarHBondContact O-CB 3.37Å; S20-F23 PolarHBondContact O-N 3.34Å; S20-I24 WeakPolarHBondContact O-CG1 3.4Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.11Å
21V93.3Very high90.5Very high55 Ų5544.1 Ų44.133%0.33324%0.24SC..Hα-helixtrans-63.9-42.1174173.80000110.8I17 F18 L19 F23 I24 I25 L118I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.38Å; F18-V21 PolarHBondContact O-N 2.86Å; L19-V21 PolarHBondContact O-N 3.39Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.5Å; V21-I24 PolarHBondContact O-N 3.28Å; V21-I24 VanDerWaalsContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 2.93Å; V21-L118 HydrophobicContact CG2-CD1 3.71Å; V21-L118 HydrophobicContact CG2-CD2 4.37Å
22Y92.3Very high90.2Very high65 Ų6543.3 Ų43.326%0.25524%0.238SC..Hα-helixtrans-58.5-41.6175.3176.1-95000112.5F18 L19 T26 W47F18-Y22 WeakPolarHBondContact O-CB 3.23Å; F18-Y22 PolarHBondContact O-N 3.49Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 2.88Å; Y22-T26 WeakPolarHBondContact O-CB 3.36Å; Y22-T26 PolarHBondContact O-N 3.37Å; Y22-T26 PolarHBondContact O-OG1 3.44Å; Y22-W47 HydrophobicContact CD1-CG 4.43Å; Y22-W47 AromaticContact CE1-CD1 3.34Å; Y22-W47 HydrophobicContact CE1-CG 4.1Å; Y22-W47 AromaticContact CE1-NE1 3.57Å; Y22-W47 AromaticContact CZ-CD1 3.97Å; Y22-W47 AromaticContact CZ-NE1 3.76Å
23F88.6Confident89.9Confident12 Ų1247.7 Ų47.75%0.05326%0.261CS..Hα-helixtrans-60.5-45.9173.3-83-71.2000112L19 S20 V21 T26 L27 L44 W47 V48 E51 F96L19-F23 HydrophobicContact CD2-CD2 3.91Å; L19-F23 HydrophobicContact CD2-CE2 3.45Å; L19-F23 VanDerWaalsContact CD2-CE2 3.45Å; L19-F23 HydrophobicContact CG-CD2 4.18Å; L19-F23 HydrophobicContact CG-CE2 3.84Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 3.27Å; S20-F23 WeakPolarHBondContact O-CB 3.37Å; S20-F23 PolarHBondContact O-N 3.34Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.5Å; F23-T26 PolarHBondContact O-N 3.42Å; F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 VanDerWaalsContact O-CG 3.26Å; F23-L27 WeakPolarHBondContact O-CG 3.47Å; F23-L27 PolarHBondContact O-N 2.93Å; F23-L44 HydrophobicContact CD1-CB 4.44Å; F23-L44 HydrophobicContact CD1-CD1 4.48Å; F23-L44 HydrophobicContact CD1-CD2 4.02Å; F23-L44 HydrophobicContact CD1-CG 3.62Å; F23-L44 HydrophobicContact CE1-CB 3.95Å; F23-L44 HydrophobicContact CE1-CD2 4.29Å; F23-L44 HydrophobicContact CE1-CG 3.64Å; F23-W47 HydrophobicContact CE2-CB 4.31Å; F23-W47 HydrophobicContact CZ-CB 3.85Å; F23-V48 HydrophobicContact CE1-CG2 4.22Å; F23-V48 HydrophobicContact CZ-CG2 4.03Å; F23-E51 WeakPolarHBondContact CE2-OE2 3.23Å; F23-F96 HydrophobicContact CE1-CE2 4.28Å
24I90.7Very high89.4Confident28 Ų2856 Ų5614%0.14429%0.294CS..Hα-helixtrans-63-46.7179.6-65.3164.1000110.8S20 V21 L27 S28 M111 A114 M115 L118S20-I24 WeakPolarHBondContact O-CG1 3.4Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.11Å; V21-I24 PolarHBondContact O-N 3.28Å; V21-I24 VanDerWaalsContact O-N 3.15Å; I24-L27 PolarHBondContact O-N 3.37Å; I24-S28 WeakPolarHBondContact O-CB 3.34Å; I24-S28 PolarHBondContact O-N 3.01Å; I24-M111 HydrophobicContact CG2-CE 4.01Å; I24-A114 HydrophobicContact CG1-CB 3.73Å; I24-M115 HydrophobicContact CD1-CG 4.31Å; I24-M115 HydrophobicContact CD1-SD 3.77Å; I24-L118 HydrophobicContact CD1-CB 4.12Å; I24-L118 HydrophobicContact CD1-CD2 3.74Å; I24-L118 HydrophobicContact CD1-CG 4.48Å
25I91.6Very high89.1Confident87 Ų8755 Ų5545%0.44628%0.284SS..Hα-helixtrans-61.3-48.9179.1-66.2168.9000110.1V21 L27 S28 D29V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 2.93Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 2.85Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CB 3.41Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-S28 VanDerWaalsContact O-N 3.08Å; I25-D29 PolarHBondContact O-N 3.26Å
26T88.9Confident88.8Confident7 Ų758 Ų584%0.04329%0.291CS..Hα-helixtrans-65.6-33.8-177.3-49.60000112.1Y22 F23 L30 I35 L44Y22-T26 WeakPolarHBondContact O-CB 3.36Å; Y22-T26 PolarHBondContact O-N 3.37Å; Y22-T26 PolarHBondContact O-OG1 3.44Å; F23-T26 PolarHBondContact O-N 3.42Å; T26-L30 PolarHBondContact O-N 2.95Å; T26-I35 HydrophobicContact CG2-CD1 3.71Å; T26-L44 HydrophobicContact CG2-CD1 3.33Å
27L87.4Confident88.3Confident3 Ų358 Ų582%0.01629%0.294CS..Hα-helixtrans-71.2-36.7172.4-71.7171.5000112.2F23 I24 I25 L30 E31 L44 I101 L107 M111F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 VanDerWaalsContact O-CG 3.26Å; F23-L27 WeakPolarHBondContact O-CG 3.47Å; F23-L27 PolarHBondContact O-N 2.93Å; I24-L27 PolarHBondContact O-N 3.37Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 2.85Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 2.93Å; L27-E31 PolarHBondContact O-N 3.45Å; L27-L44 HydrophobicContact CD2-CD2 3.78Å; L27-L44 HydrophobicContact CG-CD2 4.12Å; L27-I101 HydrophobicContact CD2-CD1 4.21Å; L27-L107 HydrophobicContact CD2-CD1 3.91Å; L27-M111 HydrophobicContact CB-CE 4.38Å; L27-M111 HydrophobicContact CB-CG 3.9Å; L27-M111 HydrophobicContact CB-SD 4.43Å; L27-M111 HydrophobicContact CD1-CG 4.24Å
28S88.9Confident87.8Confident45 Ų4565 Ų6532%0.31532%0.317SS..Hα-helixtrans-67.9-36.9174.6-170.20000112.1I24 I25 L30 E31 C32I24-S28 WeakPolarHBondContact O-CB 3.34Å; I24-S28 PolarHBondContact O-N 3.01Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CB 3.41Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-S28 VanDerWaalsContact O-N 3.08Å; S28-L30 PolarHBondContact O-N 3.39Å; S28-E31 PolarHBondContact O-N 2.98Å; S28-C32 PolarHBondContact O-N 3.17Å
29D89.9Confident87.4Confident59 Ų5959.8 Ų59.832%0.31630%0.304SS..Hα-helixtrans-63-36.1172.8-75.5-16000110.6I25 D33 Y34 I35I25-D29 PolarHBondContact O-N 3.26Å; D29-D33 PolarHBondContact O-N 3.04Å; D29-Y34 WeakPolarHBondContact O-CB 3.22Å; D29-Y34 PolarHBondContact O-N 2.9Å; D29-I35 HydrophobicContact CB-CD1 4.07Å; D29-I35 HydrophobicContact CB-CG1 4.08Å; D29-I35 HydrophobicContact CB-CG2 4.32Å
30L86.3Confident87Confident9 Ų959.1 Ų59.15%0.04730%0.301CS..Hα-helixtrans-70.8-39.5173.2-175.866.9000112.2T26 L27 S28 C32 D33 I35 A37 C40 I101 L107T26-L30 PolarHBondContact O-N 2.95Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 2.93Å; S28-L30 PolarHBondContact O-N 3.39Å; L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.35Å; L30-D33 PolarHBondContact O-N 2.95Å; L30-D33 VanDerWaalsContact O-N 3.12Å; L30-I35 HydrophobicContact CB-CG1 4.25Å; L30-I35 HydrophobicContact CD1-CG1 4.45Å; L30-I35 WeakPolarHBondContact CD1-O 3.26Å; L30-A37 HydrophobicContact CD1-CB 4.14Å; L30-C40 HydrophobicContact CD1-CB 4.39Å; L30-C40 HydrophobicContact CD2-CB 4.31Å; L30-I101 HydrophobicContact CD2-CB 4.41Å; L30-I101 HydrophobicContact CD2-CD1 3.74Å; L30-I101 HydrophobicContact CD2-CG1 3.7Å; L30-I101 HydrophobicContact CD2-CG2 3.9Å; L30-L107 HydrophobicContact CD2-CD1 4.16Å
31E85.8Confident86.6Confident92 Ų9259.4 Ų59.443%0.4330%0.302SS..Hα-helixtrans-62.8-36.1177-174.5173.1-16500112.3L27 S28 D33 L107 M111L27-E31 PolarHBondContact O-N 3.45Å; S28-E31 PolarHBondContact O-N 2.98Å; E31-D33 VanDerWaalsContact C-N 3.25Å; E31-D33 PolarHBondContact O-N 3.46Å; E31-L107 HydrophobicContact CB-CD2 3.85Å; E31-L107 HydrophobicContact CG-CD2 4.21Å; E31-M111 VanDerWaalsContact OE2-SD 3.4Å
32C85.4Confident86.2Confident76 Ų7660.8 Ų60.851%0.51432%0.315SS..THydrogen-bonded Turntrans-84.98.7176.3-69.80000113.6S28 L30 Y34S28-C32 PolarHBondContact O-N 3.17Å; L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.35Å; C32-Y34 HydrophobicContact CB-CD2 3.36Å; C32-Y34 HydrophobicContact CB-CE2 3.51Å; C32-Y34 HydrophobicContact CB-CG 4.47Å; C32-Y34 PolarHBondContact O-N 3.28Å; C32-Y34 VanDerWaalsContact O-N 3.15Å
33D84.3Confident85.9Confident119 Ų11962.7 Ų62.764%0.63632%0.324SS*.THydrogen-bonded Turntrans55.524.9-177.3-71.4-44.7000114.4D29 L30 E31D29-D33 PolarHBondContact O-N 3.04Å; L30-D33 PolarHBondContact O-N 2.95Å; L30-D33 VanDerWaalsContact O-N 3.12Å; E31-D33 VanDerWaalsContact C-N 3.25Å; E31-D33 PolarHBondContact O-N 3.46Å
34Y81.3Confident85.7Confident179 Ų17962.1 Ų62.170%0.70232%0.322SS*.  trans-72.8-27.3176.7-78.6-70.7000113D29 C32D29-Y34 WeakPolarHBondContact O-CB 3.22Å; D29-Y34 PolarHBondContact O-N 2.9Å; C32-Y34 HydrophobicContact CB-CD2 3.36Å; C32-Y34 HydrophobicContact CB-CE2 3.51Å; C32-Y34 HydrophobicContact CB-CG 4.47Å; C32-Y34 PolarHBondContact O-N 3.28Å; C32-Y34 VanDerWaalsContact O-N 3.15Å
35I86.1Confident85.5Confident41 Ų4163.2 Ų63.221%0.2133%0.328CS..SBendtrans-131.2149.7-177.465.4172.6000112.1T26 D29 L30 C40T26-I35 HydrophobicContact CG2-CD1 3.71Å; D29-I35 HydrophobicContact CB-CD1 4.07Å; D29-I35 HydrophobicContact CB-CG1 4.08Å; D29-I35 HydrophobicContact CB-CG2 4.32Å; L30-I35 HydrophobicContact CB-CG1 4.25Å; L30-I35 HydrophobicContact CD1-CG1 4.45Å; L30-I35 WeakPolarHBondContact CD1-O 3.26Å; I35-C40 HydrophobicContact CD1-CB 3.65Å; I35-C40 HydrophobicContact CG1-CB 4.28Å
36N85.4Confident85.2Confident118 Ų11866.8 Ų66.863%0.63134%0.34SS*.  trans-73139.5177.3-165.26.2000111.4R38 A39 C40N36-R38 PolarHBondContact O-N 3.08Å; N36-R38 VanDerWaalsContact O-N 3.12Å; N36-A39 PolarHBondContact O-N 2.92Å; N36-C40 PolarHBondContact O-N 3.35Å
37A81Confident85.1Confident13 Ų1371.7 Ų71.711%0.10736%0.358CS..Hα-helixtrans-52.5-38-179.100000113.1L30 C40 C41 P98 I101L30-A37 HydrophobicContact CD1-CB 4.14Å; A37-C40 WeakPolarHBondContact O-CB 3.38Å; A37-C40 PolarHBondContact O-N 3.5Å; A37-C41 WeakPolarHBondContact O-CB 3.38Å; A37-C41 PolarHBondContact O-N 3.45Å; A37-C41 PolarHBondContact O-SG 3.15Å; A37-P98 HydrophobicContact CB-CB 4.17Å; A37-I101 HydrophobicContact CB-CG2 3.73Å
38R82.1Confident84.9Confident181 Ų18172.1 Ų72.168%0.68336%0.361SS*.Hα-helixtrans-65.4-41.8177.7-166.3177.9-169.8-157.32.7112.9N36 S42N36-R38 PolarHBondContact O-N 3.08Å; N36-R38 VanDerWaalsContact O-N 3.12Å; R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.14Å
39A83.6Confident84.7Confident50 Ų5074.7 Ų74.741%0.41337%0.37SS..Hα-helixtrans-70-38.317800000111.1N36 K43N36-A39 PolarHBondContact O-N 2.92Å; A39-K43 WeakPolarHBondContact O-CG 3.21Å; A39-K43 PolarHBondContact O-N 3.48Å
40C83.5Confident84.5Confident0 Ų074.5 Ų74.50%037%0.372CS..Hα-helixtrans-59-55.6172.2-177.60000111.2L30 I35 N36 A37 S42 K43 L44L30-C40 HydrophobicContact CD1-CB 4.39Å; L30-C40 HydrophobicContact CD2-CB 4.31Å; I35-C40 HydrophobicContact CD1-CB 3.65Å; I35-C40 HydrophobicContact CG1-CB 4.28Å; N36-C40 PolarHBondContact O-N 3.35Å; A37-C40 WeakPolarHBondContact O-CB 3.38Å; A37-C40 PolarHBondContact O-N 3.5Å; C40-S42 VanDerWaalsContact C-N 3.33Å; C40-S42 PolarHBondContact O-N 3.07Å; C40-K43 PolarHBondContact O-N 3.32Å; C40-K43 VanDerWaalsContact O-N 3.1Å; C40-L44 WeakPolarHBondContact O-CD1 3.32Å; C40-L44 PolarHBondContact O-N 2.98Å
41C82Confident84.5Confident8 Ų874.5 Ų74.55%0.05437%0.372CS..Hα-helixtrans-59.3-40.5-177.7-66.30000112.7A37 N45 F96A37-C41 WeakPolarHBondContact O-CB 3.38Å; A37-C41 PolarHBondContact O-N 3.45Å; A37-C41 PolarHBondContact O-SG 3.15Å; C41-N45 WeakPolarHBondContact O-CB 3.18Å; C41-N45 PolarHBondContact O-N 3Å; C41-F96 HydrophobicContact CB-CB 4.21Å; C41-F96 WeakPolarHBondContact CB-O 3.27Å
42S84.5Confident84.5Confident85 Ų8572.1 Ų72.159%0.59436%0.361SS*.Hα-helixtrans-63.9-41.7176.21760000112.6R38 C40 K46R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.14Å; C40-S42 VanDerWaalsContact C-N 3.33Å; C40-S42 PolarHBondContact O-N 3.07Å; S42-K46 WeakPolarHBondContact O-CB 3.18Å; S42-K46 PolarHBondContact O-N 3.29Å
43K85.9Confident84.6Confident104 Ų10472.6 Ų72.645%0.45236%0.362SS..Hα-helixtrans-65.6-51.3175.7-74.1177.6176.3-177.80111A39 C40 N45 K46 W47A39-K43 WeakPolarHBondContact O-CG 3.21Å; A39-K43 PolarHBondContact O-N 3.48Å; C40-K43 PolarHBondContact O-N 3.32Å; C40-K43 VanDerWaalsContact O-N 3.1Å; K43-N45 PolarHBondContact O-N 3.22Å; K43-K46 WeakPolarHBondContact O-CB 3.18Å; K43-K46 PolarHBondContact O-N 2.91Å; K43-W47 PolarHBondContact O-N 3.47Å
44L85.4Confident84.7Confident0 Ų067.3 Ų67.30%034%0.335CS..Hα-helixtrans-59.4-49.8-178.9-93.364.7000111.6F23 T26 L27 C40 K46 W47 V48 F96F23-L44 HydrophobicContact CD1-CB 4.44Å; F23-L44 HydrophobicContact CD1-CD1 4.48Å; F23-L44 HydrophobicContact CD1-CD2 4.02Å; F23-L44 HydrophobicContact CD1-CG 3.62Å; F23-L44 HydrophobicContact CE1-CB 3.95Å; F23-L44 HydrophobicContact CE1-CD2 4.29Å; F23-L44 HydrophobicContact CE1-CG 3.64Å; T26-L44 HydrophobicContact CG2-CD1 3.33Å; L27-L44 HydrophobicContact CD2-CD2 3.78Å; L27-L44 HydrophobicContact CG-CD2 4.12Å; C40-L44 WeakPolarHBondContact O-CD1 3.32Å; C40-L44 PolarHBondContact O-N 2.98Å; L44-K46 PolarHBondContact O-N 3.43Å; L44-W47 PolarHBondContact O-N 3.05Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.48Å; L44-F96 HydrophobicContact CB-CD2 3.69Å; L44-F96 HydrophobicContact CB-CE2 3.97Å; L44-F96 HydrophobicContact CB-CG 4.25Å; L44-F96 HydrophobicContact CD2-CD1 3.97Å; L44-F96 HydrophobicContact CD2-CD2 4Å; L44-F96 HydrophobicContact CD2-CE1 3.89Å; L44-F96 HydrophobicContact CD2-CE2 3.91Å; L44-F96 HydrophobicContact CD2-CG 4.02Å; L44-F96 HydrophobicContact CD2-CZ 3.85Å; L44-F96 HydrophobicContact CG-CD2 4.42Å; L44-F96 HydrophobicContact CG-CE2 4.36Å
45N85.4Confident84.9Confident51 Ų5159.4 Ų59.427%0.27331%0.305SS..Hα-helixtrans-61.8-31.7-178.1-163.844.2000112.4C41 K43 W47 V95C41-N45 WeakPolarHBondContact O-CB 3.18Å; C41-N45 PolarHBondContact O-N 3Å; K43-N45 PolarHBondContact O-N 3.22Å; N45-W47 VanDerWaalsContact C-N 3.32Å; N45-W47 PolarHBondContact O-N 3.41Å; N45-V95 PolarHBondContact OD1-N 3.3Å
46K85.7Confident84.9Confident162 Ų16260.1 Ų60.170%0.70431%0.312SS*.Hα-helixtrans-65.7-34.5173.9-173175.7179.8178.90112.5S42 K43 L44 P50S42-K46 WeakPolarHBondContact O-CB 3.18Å; S42-K46 PolarHBondContact O-N 3.29Å; K43-K46 WeakPolarHBondContact O-CB 3.18Å; K43-K46 PolarHBondContact O-N 2.91Å; L44-K46 PolarHBondContact O-N 3.43Å; K46-P50 WeakPolarHBondContact O-CD 3.32Å
47W87Confident85Confident111 Ų11158.4 Ų58.442%0.4230%0.303SS..Hα-helixtrans-88.6-16.8-179.1-72109.8000114.3L19 Y22 F23 K43 L44 N45 I49 P50 E51L19-W47 HydrophobicContact CD1-CB 4.26Å; L19-W47 HydrophobicContact CD1-CD2 4.29Å; L19-W47 HydrophobicContact CD1-CE3 3.53Å; L19-W47 HydrophobicContact CD1-CZ3 4.21Å; Y22-W47 HydrophobicContact CD1-CG 4.43Å; Y22-W47 AromaticContact CE1-CD1 3.34Å; Y22-W47 HydrophobicContact CE1-CG 4.1Å; Y22-W47 AromaticContact CE1-NE1 3.57Å; Y22-W47 AromaticContact CZ-CD1 3.97Å; Y22-W47 AromaticContact CZ-NE1 3.76Å; F23-W47 HydrophobicContact CE2-CB 4.31Å; F23-W47 HydrophobicContact CZ-CB 3.85Å; K43-W47 PolarHBondContact O-N 3.47Å; L44-W47 PolarHBondContact O-N 3.05Å; N45-W47 VanDerWaalsContact C-N 3.32Å; N45-W47 PolarHBondContact O-N 3.41Å; W47-I49 VanDerWaalsContact C-N 3.33Å; W47-I49 PolarHBondContact O-N 3.14Å; W47-P50 HydrophobicContact CE3-CB 4.26Å; W47-P50 HydrophobicContact CE3-CG 4.12Å; W47-P50 VanDerWaalsContact O-CD 3.32Å; W47-P50 WeakPolarHBondContact O-CD 3.06Å; W47-E51 PolarHBondContact O-N 3.36Å
48V84.1Confident85.1Confident12 Ų1258 Ų587%0.07330%0.299CS..Hα-helixtrans-60.5-40.7174.2166.60000112.1F23 L44 E51 M52 V95 F96F23-V48 HydrophobicContact CE1-CG2 4.22Å; F23-V48 HydrophobicContact CZ-CG2 4.03Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.48Å; V48-E51 WeakPolarHBondContact O-CB 3.12Å; V48-E51 PolarHBondContact O-N 3.38Å; V48-M52 PolarHBondContact O-N 3.3Å; V48-M52 VanDerWaalsContact O-N 3.14Å; V48-V95 HydrophobicContact CG1-CG2 4.04Å; V48-F96 HydrophobicContact CG2-CD2 4.29Å; V48-F96 HydrophobicContact CG2-CE2 3.75Å
49I83.6Confident85.2Confident98 Ų9851.4 Ų51.450%0.50328%0.276SS..Hα-helixtrans-64.5-51.5179.2-62.2168.4000110.8W47 E51 M52 V53W47-I49 VanDerWaalsContact C-N 3.33Å; W47-I49 PolarHBondContact O-N 3.14Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 2.59Å; I49-M52 PolarHBondContact O-N 2.88Å; I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CG2 3.41Å; I49-V53 PolarHBondContact O-N 3.33Å
50P85.6Confident85.2Confident56 Ų5654.5 Ų54.536%0.36428%0.284SS..Hα-helixtrans-52.6-40.6171.3-28.332.2000114.5L19 K46 W47 M52 V53 G54L19-P50 HydrophobicContact CD1-CB 4.36Å; K46-P50 WeakPolarHBondContact O-CD 3.32Å; W47-P50 HydrophobicContact CE3-CB 4.26Å; W47-P50 HydrophobicContact CE3-CG 4.12Å; W47-P50 VanDerWaalsContact O-CD 3.32Å; W47-P50 WeakPolarHBondContact O-CD 3.06Å; P50-M52 PolarHBondContact O-N 2.9Å; P50-V53 PolarHBondContact O-N 3.4Å; P50-G54 PolarHBondContact O-N 2.91Å
51E86.9Confident85.1Confident9 Ų956.6 Ų56.64%0.04230%0.295CS..Hα-helixtrans-57.4-51176.9-164.9-172.514900111.5L16 L19 F23 W47 V48 I49 V53 G54 Q55 N81 K117L16-E51 HydrophobicContact CD2-CG 4.33Å; L19-E51 HydrophobicContact CD2-CB 3.62Å; L19-E51 HydrophobicContact CD2-CG 3.55Å; F23-E51 WeakPolarHBondContact CE2-OE2 3.23Å; W47-E51 PolarHBondContact O-N 3.36Å; V48-E51 WeakPolarHBondContact O-CB 3.12Å; V48-E51 PolarHBondContact O-N 3.38Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 2.59Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.88Å; E51-G54 PolarHBondContact O-N 2.84Å; E51-Q55 PolarHBondContact O-N 3.37Å; E51-N81 PolarHBondContact OE1-ND2 3.19Å; E51-N81 VanDerWaalsContact OE1-ND2 3.16Å; E51-K117 IonicContact OE1-NZ 3.72Å; E51-K117 PolarHBondContact OE1-NZ 2.65Å; E51-K117 IonicContact OE2-NZ 2.86Å
52M85Confident85.1Confident41 Ų4156.2 Ų56.220%0.20229%0.292CS..Hα-helixtrans-65.4-39.6-178.9-67.5-146.9-55.400111.4V48 I49 P50 Q55 C56 Y85V48-M52 PolarHBondContact O-N 3.3Å; V48-M52 VanDerWaalsContact O-N 3.14Å; I49-M52 PolarHBondContact O-N 2.88Å; P50-M52 PolarHBondContact O-N 2.9Å; M52-Q55 PolarHBondContact O-N 3.19Å; M52-C56 WeakPolarHBondContact O-CB 3.46Å; M52-C56 PolarHBondContact O-N 3.24Å; M52-C56 PolarHBondContact O-SG 3.43Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; M52-Y85 HydrophobicContact CE-CD1 4.29Å; M52-Y85 HydrophobicContact CE-CD2 3.54Å; M52-Y85 HydrophobicContact CE-CE2 3.92Å; M52-Y85 HydrophobicContact CE-CG 3.74Å; M52-Y85 HydrophobicContact SD-CD2 4.25Å; M52-Y85 HydrophobicContact SD-CG 4.26Å
53V87.3Confident84.9Confident87 Ų8756.7 Ų56.753%0.52729%0.287SS..Hα-helixtrans-62.5-45.7177172.90000110.9I49 P50 E51 C56 L57I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CG2 3.41Å; I49-V53 PolarHBondContact O-N 3.33Å; P50-V53 PolarHBondContact O-N 3.4Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.88Å; V53-C56 PolarHBondContact O-N 2.96Å; V53-L57 VanDerWaalsContact O-CB 3.23Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.23Å
54G86.5Confident84.4Confident8 Ų857.2 Ų57.28%0.08230%0.299CS..Hα-helixtrans-60.2-48.3177.200000112.1D12 P50 E51 C56 L57 S58D12-G54 VanDerWaalsContact OD2-O 3.07Å; P50-G54 PolarHBondContact O-N 2.91Å; E51-G54 PolarHBondContact O-N 2.84Å; G54-C56 PolarHBondContact O-N 3.41Å; G54-L57 WeakPolarHBondContact O-CB 3.4Å; G54-L57 PolarHBondContact O-N 3.32Å; G54-S58 PolarHBondContact O-N 3.46Å
55Q86.2Confident83.7Confident13 Ų1358 Ų586%0.06131%0.305CS..Hα-helixtrans-63.7-41.4177.7-73.9-175.6-7.600113.7L16 E51 M52 L57 S58 M59 V77 N81 H121L16-Q55 HydrophobicContact CD1-CG 3.93Å; L16-Q55 HydrophobicContact CD2-CG 4.21Å; E51-Q55 PolarHBondContact O-N 3.37Å; M52-Q55 PolarHBondContact O-N 3.19Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; Q55-S58 PolarHBondContact O-N 2.91Å; Q55-M59 WeakPolarHBondContact O-CB 3.19Å; Q55-M59 PolarHBondContact O-N 3.29Å; Q55-V77 VanDerWaalsContact NE2-CG1 3.32Å; Q55-N81 VanDerWaalsContact CD-ND2 3.29Å; Q55-N81 PolarHBondContact NE2-ND2 3.35Å; Q55-N81 PolarHBondContact OE1-ND2 2.89Å; Q55-H121 PolarHBondContact NE2-CE1 3.45Å; Q55-H121 PolarHBondContact NE2-NE2 3.48Å; Q55-H121 VanDerWaalsContact NE2-NE2 3.16Å
56C85.6Confident83.2Confident55 Ų5562 Ų6237%0.37232%0.324SS..Hα-helixtrans-64-39.2174.4-76.30000111.6M52 V53 G54 M59 M60M52-C56 WeakPolarHBondContact O-CB 3.46Å; M52-C56 PolarHBondContact O-N 3.24Å; M52-C56 PolarHBondContact O-SG 3.43Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; V53-C56 PolarHBondContact O-N 2.96Å; G54-C56 PolarHBondContact O-N 3.41Å; C56-M59 PolarHBondContact O-N 3.45Å; C56-M60 WeakPolarHBondContact O-CB 3.48Å; C56-M60 VanDerWaalsContact O-CG 3.24Å; C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 2.91Å
57L87.3Confident82.8Confident83 Ų8356.8 Ų56.844%0.43530%0.302SS..Hα-helixtrans-63.9-48.7176.7-177.7146.3000111V53 G54 Q55 M59 M60 L61V53-L57 VanDerWaalsContact O-CB 3.23Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.23Å; G54-L57 WeakPolarHBondContact O-CB 3.4Å; G54-L57 PolarHBondContact O-N 3.32Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 2.84Å; L57-M60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CD2-CD1 3.54Å; L57-L61 HydrophobicContact CD2-CG 4.24Å; L57-L61 HydrophobicContact CG-CD1 4.43Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.37Å
58S83.5Confident82.3Confident3 Ų359.8 Ų59.82%0.02131%0.313CS..Hα-helixtrans-56.5-44173.6-91.80000112.2D12 G54 Q55 L61 M62D12-S58 PolarHBondContact OD2-OG 3.44Å; G54-S58 PolarHBondContact O-N 3.46Å; Q55-S58 PolarHBondContact O-N 2.91Å; S58-L61 PolarHBondContact O-N 3.09Å; S58-M62 WeakPolarHBondContact O-CG 3.3Å; S58-M62 PolarHBondContact O-N 3.36Å; S58-M62 VanDerWaalsContact O-N 3.13Å
59M84.1Confident82.1Confident43 Ų4366.7 Ų66.721%0.21234%0.342CS..Hα-helixtrans-64.9-40.9178-170179.478.700112.3Q55 C56 L57 M62 L63 F71 A78Q55-M59 WeakPolarHBondContact O-CB 3.19Å; Q55-M59 PolarHBondContact O-N 3.29Å; C56-M59 PolarHBondContact O-N 3.45Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 2.84Å; M59-M62 PolarHBondContact O-N 2.93Å; M59-L63 WeakPolarHBondContact O-CB 3.45Å; M59-L63 PolarHBondContact O-N 3.23Å; M59-L63 VanDerWaalsContact O-N 3.07Å; M59-F71 HydrophobicContact CE-CE2 4.48Å; M59-F71 HydrophobicContact CG-CD2 3.64Å; M59-F71 HydrophobicContact CG-CE2 3.37Å; M59-F71 HydrophobicContact CG-CZ 4.42Å; M59-F71 HydrophobicContact SD-CE2 3.9Å; M59-F71 HydrophobicContact SD-CZ 4.44Å; M59-A78 HydrophobicContact SD-CB 4.05Å
60M84.1Confident81.8Confident115 Ų11562.4 Ų62.457%0.56732%0.32SS*.Hα-helixtrans-66-42.7176.6-74.9-68.8-70.600112.2C56 L57 M62 L63 V64C56-M60 WeakPolarHBondContact O-CB 3.48Å; C56-M60 VanDerWaalsContact O-CG 3.24Å; C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 2.91Å; L57-M60 PolarHBondContact O-N 3.38Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 3.27Å; M60-L63 PolarHBondContact O-N 2.75Å; M60-V64 WeakPolarHBondContact O-CG2 3.4Å; M60-V64 PolarHBondContact O-N 2.82Å
61L81.9Confident81.6Confident45 Ų4561.2 Ų61.224%0.23631%0.31CS..Hα-helixtrans-61.4-39.9177.1-72.3176.5000112.1V5 L57 S58 V64 S65V5-L61 HydrophobicContact CG1-CB 4.16Å; L57-L61 HydrophobicContact CD2-CD1 3.54Å; L57-L61 HydrophobicContact CD2-CG 4.24Å; L57-L61 HydrophobicContact CG-CD1 4.43Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.37Å; S58-L61 PolarHBondContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-S65 WeakPolarHBondContact O-CB 3.35Å; L61-S65 PolarHBondContact O-N 3.45Å; L61-S65 VanDerWaalsContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 3.04Å
62M80.9Confident81.3Confident0 Ų065.8 Ų65.80%033%0.334CS..Hα-helixtrans-73.2-30178.1-66.8-58.813400113.2V5 F6 S9 S58 M59 M60 S65 M66 H67 I70V5-M62 HydrophobicContact CG1-CE 4.02Å; F6-M62 HydrophobicContact CD1-CE 4.41Å; F6-M62 HydrophobicContact CE1-SD 4.38Å; S9-M62 VanDerWaalsContact CB-CE 3.41Å; S58-M62 WeakPolarHBondContact O-CG 3.3Å; S58-M62 PolarHBondContact O-N 3.36Å; S58-M62 VanDerWaalsContact O-N 3.13Å; M59-M62 PolarHBondContact O-N 2.93Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 3.27Å; M62-S65 PolarHBondContact O-N 3Å; M62-M66 PolarHBondContact O-N 3.43Å; M62-H67 PolarHBondContact O-N 3.28Å; M62-I70 HydrophobicContact CB-CG2 4.29Å; M62-I70 HydrophobicContact CG-CG2 3.67Å; M62-I70 HydrophobicContact SD-CB 4.49Å; M62-I70 HydrophobicContact SD-CD1 4.47Å; M62-I70 HydrophobicContact SD-CG2 3.8Å
63L80.4Confident81.2Confident94 Ų9466.3 Ų66.349%0.49234%0.337SS..Hα-helixtrans-68-43.2173.4-168.4148.5000111.4M59 M60 S65 M66 F71M59-L63 WeakPolarHBondContact O-CB 3.45Å; M59-L63 PolarHBondContact O-N 3.23Å; M59-L63 VanDerWaalsContact O-N 3.07Å; M60-L63 PolarHBondContact O-N 2.75Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.25Å; L63-M66 PolarHBondContact O-N 3.11Å; L63-F71 HydrophobicContact CB-CD2 4.2Å; L63-F71 HydrophobicContact CB-CE2 4.3Å; L63-F71 HydrophobicContact CD1-CD2 4.36Å; L63-F71 HydrophobicContact CD1-CE2 3.72Å; L63-F71 HydrophobicContact CD1-CZ 4.05Å; L63-F71 HydrophobicContact CG-CE2 4.5Å
64V76.7Confident80.9Confident116 Ų11663 Ų6370%0.70332%0.316SS*.Hα-helixtrans-64.2-35.1175.3173.60000111.6M60 L61 M66M60-V64 WeakPolarHBondContact O-CG2 3.4Å; M60-V64 PolarHBondContact O-N 2.82Å; L61-V64 PolarHBondContact O-N 3.49Å; V64-M66 PolarHBondContact O-N 2.98Å
65S70.8Confident80.7Confident17 Ų1766.7 Ų66.712%0.11933%0.332CS..THydrogen-bonded Turntrans-79.22.3179.3-50.70000113.5V5 L61 M62 L63 H67V5-S65 WeakPolarHBondContact CG1-OG 3.24Å; L61-S65 WeakPolarHBondContact O-CB 3.35Å; L61-S65 PolarHBondContact O-N 3.45Å; L61-S65 VanDerWaalsContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 3.04Å; M62-S65 PolarHBondContact O-N 3Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.25Å; S65-H67 WeakPolarHBondContact CB-ND1 3.45Å; S65-H67 PolarHBondContact O-CE1 3.38Å; S65-H67 PolarHBondContact O-N 3.06Å; S65-H67 VanDerWaalsContact O-N 3.08Å; S65-H67 PolarHBondContact O-ND1 2.94Å
66M74.8Confident80.4Confident134 Ų13469.7 Ų69.766%0.6635%0.353SS*.THydrogen-bonded Turntrans54.924.9-178.5-71.1-73-172.800114.8M62 L63 V64 W68M62-M66 PolarHBondContact O-N 3.43Å; L63-M66 PolarHBondContact O-N 3.11Å; V64-M66 PolarHBondContact O-N 2.98Å; M66-W68 PolarHBondContact O-N 3.34Å; M66-W68 VanDerWaalsContact O-N 3.13Å; M66-W68 HydrophobicContact SD-CZ2 4.09Å
67H77Confident80.3Confident53 Ų5368.2 Ų68.225%0.24534%0.342CS..  trans-89.274.3178.1-75.978000110.6E2 F6 M62 S65 F69 I70 F71E2-H67 IonicContact OE1-CE1 2.74Å; E2-H67 IonicContact OE2-CE1 3.79Å; F6-H67 AromaticContact CZ-CD2 3.84Å; F6-H67 AromaticContact CZ-CE1 3.74Å; F6-H67 AromaticContact CZ-NE2 3.51Å; M62-H67 PolarHBondContact O-N 3.28Å; S65-H67 WeakPolarHBondContact CB-ND1 3.45Å; S65-H67 PolarHBondContact O-CE1 3.38Å; S65-H67 PolarHBondContact O-N 3.06Å; S65-H67 VanDerWaalsContact O-N 3.08Å; S65-H67 PolarHBondContact O-ND1 2.94Å; H67-F69 VanDerWaalsContact C-N 3.29Å; H67-F69 PolarHBondContact O-N 3.39Å; H67-I70 HydrophobicContact CB-CB 4.36Å; H67-I70 HydrophobicContact CB-CD1 4.29Å; H67-I70 PolarHBondContact O-N 3.34Å; H67-F71 PolarHBondContact O-N 3.38Å
68W76.6Confident80Confident174 Ų17464.6 Ų64.666%0.65932%0.324SS*.Hα-helixtrans-55.9-36.9-173.3-66.888.3000114.5M66 F71 L72M66-W68 PolarHBondContact O-N 3.34Å; M66-W68 VanDerWaalsContact O-N 3.13Å; M66-W68 HydrophobicContact SD-CZ2 4.09Å; W68-F71 PolarHBondContact O-N 2.87Å; W68-L72 WeakPolarHBondContact O-CB 3.33Å; W68-L72 PolarHBondContact O-N 3.08Å
69F78.8Confident79.9Confident157 Ų15767 Ų6769%0.68934%0.344SS*.Hα-helixtrans-65-45.5-180-176.7-98.6000112.1H67 L72 L73H67-F69 VanDerWaalsContact C-N 3.29Å; H67-F69 PolarHBondContact O-N 3.39Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L73 PolarHBondContact O-N 3.24Å; F69-L73 VanDerWaalsContact O-N 3.08Å
70I78.9Confident79.8Confident8 Ų870.6 Ų70.64%0.04136%0.356CS..Hα-helixtrans-68.5-38.6179-67.9175.8000110.8F6 M62 H67 L73 N74 I127 Y128F6-I70 HydrophobicContact CE1-CD1 4.08Å; M62-I70 HydrophobicContact CB-CG2 4.29Å; M62-I70 HydrophobicContact CG-CG2 3.67Å; M62-I70 HydrophobicContact SD-CB 4.49Å; M62-I70 HydrophobicContact SD-CD1 4.47Å; M62-I70 HydrophobicContact SD-CG2 3.8Å; H67-I70 HydrophobicContact CB-CB 4.36Å; H67-I70 HydrophobicContact CB-CD1 4.29Å; H67-I70 PolarHBondContact O-N 3.34Å; I70-L73 WeakPolarHBondContact O-CB 3.29Å; I70-L73 PolarHBondContact O-N 2.9Å; I70-N74 PolarHBondContact O-N 3.42Å; I70-N74 VanDerWaalsContact O-N 3.15Å; I70-N74 PolarHBondContact O-ND2 3.29Å; I70-I127 HydrophobicContact CG1-CG2 4.37Å; I70-Y128 HydrophobicContact CG2-CD1 4.41Å; I70-Y128 HydrophobicContact CG2-CE1 3.52Å
71F80.9Confident79.7Confident31 Ų3165.7 Ų65.714%0.13633%0.332CS..Hα-helixtrans-61.1-46.4174.6174.4-96.5000111.7M59 L63 H67 W68 L73 N74 M75M59-F71 HydrophobicContact CE-CE2 4.48Å; M59-F71 HydrophobicContact CG-CD2 3.64Å; M59-F71 HydrophobicContact CG-CE2 3.37Å; M59-F71 HydrophobicContact CG-CZ 4.42Å; M59-F71 HydrophobicContact SD-CE2 3.9Å; M59-F71 HydrophobicContact SD-CZ 4.44Å; L63-F71 HydrophobicContact CB-CD2 4.2Å; L63-F71 HydrophobicContact CB-CE2 4.3Å; L63-F71 HydrophobicContact CD1-CD2 4.36Å; L63-F71 HydrophobicContact CD1-CE2 3.72Å; L63-F71 HydrophobicContact CD1-CZ 4.05Å; L63-F71 HydrophobicContact CG-CE2 4.5Å; H67-F71 PolarHBondContact O-N 3.38Å; W68-F71 PolarHBondContact O-N 2.87Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 2.88Å; F71-N74 PolarHBondContact O-N 3.43Å; F71-N74 VanDerWaalsContact O-N 3.17Å; F71-M75 HydrophobicContact CD1-CE 4.4Å; F71-M75 HydrophobicContact CE1-CE 3.57Å; F71-M75 HydrophobicContact CZ-CE 4.17Å; F71-M75 PolarHBondContact O-N 3.28Å
72L80.8Confident79.6Confident105 Ų10567.7 Ų67.755%0.5534%0.341SS..Hα-helixtrans-59.9-36175.4-96156.5000112.6W68 F69 P76W68-L72 WeakPolarHBondContact O-CB 3.33Å; W68-L72 PolarHBondContact O-N 3.08Å; F69-L72 PolarHBondContact O-N 2.99Å; L72-P76 WeakPolarHBondContact O-CD 3.43Å
73L81.6Confident79.6Confident51 Ų5173.3 Ų73.327%0.26736%0.364SS..Hα-helixtrans-64.7-41.8176.3-167.370.6000111.7F69 I70 F71 P76 Y120 I127F69-L73 PolarHBondContact O-N 3.24Å; F69-L73 VanDerWaalsContact O-N 3.08Å; I70-L73 WeakPolarHBondContact O-CB 3.29Å; I70-L73 PolarHBondContact O-N 2.9Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 2.88Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-P76 WeakPolarHBondContact O-CG 3.43Å; L73-Y120 HydrophobicContact CG-CE2 4.15Å; L73-Y120 PolarHBondContact O-OH 2.96Å; L73-I127 HydrophobicContact CD2-CD1 3.51Å
74N81.6Confident79.4Confident18 Ų1871.7 Ų71.710%0.09635%0.351CS..Hα-helixtrans-77.4-26.9-178.9-77-75.4000114.6I70 F71 V77 A78 Y120 Y128I70-N74 PolarHBondContact O-N 3.42Å; I70-N74 VanDerWaalsContact O-N 3.15Å; I70-N74 PolarHBondContact O-ND2 3.29Å; F71-N74 PolarHBondContact O-N 3.43Å; F71-N74 VanDerWaalsContact O-N 3.17Å; N74-V77 PolarHBondContact O-N 3.31Å; N74-A78 PolarHBondContact O-N 3.16Å; N74-A78 VanDerWaalsContact O-N 3.09Å; N74-Y120 WeakPolarHBondContact CA-OH 3.39Å; N74-Y120 PolarHBondContact N-OH 3.47Å; N74-Y120 PolarHBondContact OD1-OH 3.38Å; N74-Y128 PolarHBondContact ND2-OH 2.8Å; N74-Y128 PolarHBondContact OD1-OH 2.72Å
75M81.3Confident79.3Confident85 Ų8571.9 Ų71.942%0.41934%0.34SS..Hα-helixtrans-51.2-48.7179.1-170-166.8-78.900114.5F71 V77 A78 A79F71-M75 HydrophobicContact CD1-CE 4.4Å; F71-M75 HydrophobicContact CE1-CE 3.57Å; F71-M75 HydrophobicContact CZ-CE 4.17Å; F71-M75 PolarHBondContact O-N 3.28Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 3.16Å; M75-A78 PolarHBondContact O-N 3.41Å; M75-A79 WeakPolarHBondContact O-CB 3.48Å; M75-A79 PolarHBondContact O-N 2.74Å
76P81.8Confident79.4Confident77 Ų7776.4 Ų76.450%0.537%0.366SS..Hα-helixtrans-61.6-37.2-178.621.3-34.6000113.5L72 L73 W80L72-P76 WeakPolarHBondContact O-CD 3.43Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-P76 WeakPolarHBondContact O-CG 3.43Å; P76-W80 WeakPolarHBondContact O-CB 3.47Å; P76-W80 PolarHBondContact O-N 3.31Å
77V82Confident79.2Confident24 Ų2476.5 Ų76.515%0.14536%0.363CS..Hα-helixtrans-73.3-43179.1176.60000111Q55 N74 M75 W80 N81 Y120Q55-V77 VanDerWaalsContact NE2-CG1 3.32Å; N74-V77 PolarHBondContact O-N 3.31Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 3.16Å; V77-W80 PolarHBondContact O-N 2.84Å; V77-N81 PolarHBondContact O-N 2.95Å; V77-Y120 HydrophobicContact CB-CD1 4.35Å; V77-Y120 HydrophobicContact CB-CE1 4.09Å; V77-Y120 HydrophobicContact CG1-CD1 4.44Å; V77-Y120 HydrophobicContact CG1-CE1 4.49Å; V77-Y120 HydrophobicContact CG2-CD1 3.56Å; V77-Y120 HydrophobicContact CG2-CD2 3.8Å; V77-Y120 HydrophobicContact CG2-CE1 3.55Å; V77-Y120 HydrophobicContact CG2-CE2 3.8Å; V77-Y120 HydrophobicContact CG2-CG 3.7Å
78A80.4Confident78.6Confident7 Ų776.2 Ų76.26%0.05836%0.363CS..Hα-helixtrans-60.9-45.5174.200000111.2M59 N74 M75 W80 N81 I82M59-A78 HydrophobicContact SD-CB 4.05Å; N74-A78 PolarHBondContact O-N 3.16Å; N74-A78 VanDerWaalsContact O-N 3.09Å; M75-A78 PolarHBondContact O-N 3.41Å; A78-W80 VanDerWaalsContact C-N 3.34Å; A78-W80 PolarHBondContact O-N 3.3Å; A78-N81 PolarHBondContact O-N 2.74Å; A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.18Å; A78-I82 PolarHBondContact O-N 3.35Å
79A82.9Confident77.7Confident52 Ų5271.5 Ų71.543%0.4336%0.355SS..Hα-helixtrans-62-40.5176.600000112M75 I82 Y83M75-A79 WeakPolarHBondContact O-CB 3.48Å; M75-A79 PolarHBondContact O-N 2.74Å; A79-I82 PolarHBondContact O-N 3.38Å; A79-Y83 VanDerWaalsContact O-CB 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 2.94Å
80W82.4Confident76Confident120 Ų12074 Ų7446%0.45537%0.371SS..Hα-helixtrans-63-44.6175.3-175.5-99.7000112.1P76 V77 A78 Y83 R84P76-W80 WeakPolarHBondContact O-CB 3.47Å; P76-W80 PolarHBondContact O-N 3.31Å; V77-W80 PolarHBondContact O-N 2.84Å; A78-W80 VanDerWaalsContact C-N 3.34Å; A78-W80 PolarHBondContact O-N 3.3Å; W80-Y83 PolarHBondContact O-N 2.95Å; W80-R84 WeakPolarHBondContact O-CB 3.49Å; W80-R84 WeakPolarHBondContact O-CG 3.4Å; W80-R84 PolarHBondContact O-N 2.94Å
81N81.8Confident74.6Confident12 Ų1277.3 Ų77.36%0.06441%0.407CS..Hα-helixtrans-65.4-40.7178-86.7-12.6000112.3E51 Q55 V77 A78 R84 Y85 K117E51-N81 PolarHBondContact OE1-ND2 3.19Å; E51-N81 VanDerWaalsContact OE1-ND2 3.16Å; Q55-N81 VanDerWaalsContact CD-ND2 3.29Å; Q55-N81 PolarHBondContact NE2-ND2 3.35Å; Q55-N81 PolarHBondContact OE1-ND2 2.89Å; V77-N81 PolarHBondContact O-N 2.95Å; A78-N81 PolarHBondContact O-N 2.74Å; N81-R84 PolarHBondContact O-N 3.47Å; N81-Y85 PolarHBondContact O-N 2.98Å; N81-K117 WeakPolarHBondContact OD1-CE 3.48Å; N81-K117 PolarHBondContact OD1-NZ 3.26Å
82I79.2Confident73.6Confident86 Ų8678 Ų7844%0.44141%0.413SS..Hα-helixtrans-64-47.1173.6-66.6163.9000110.8A78 A79 R84 Y85 V86A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.18Å; A78-I82 PolarHBondContact O-N 3.35Å; A79-I82 PolarHBondContact O-N 3.38Å; I82-R84 VanDerWaalsContact C-N 3.26Å; I82-R84 PolarHBondContact O-N 2.98Å; I82-Y85 PolarHBondContact O-N 2.89Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.1Å; I82-V86 PolarHBondContact O-N 3.49Å
83Y81.4Confident72.5Confident119 Ų11979.1 Ų79.147%0.46742%0.416SS..Hα-helixtrans-56.8-42.7177.6174.8-101.5000111.4A79 W80 V86 K87A79-Y83 VanDerWaalsContact O-CB 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 2.94Å; W80-Y83 PolarHBondContact O-N 2.95Å; Y83-V86 PolarHBondContact O-N 3.3Å; Y83-K87 HydrophobicContact CE1-CD 3.78Å; Y83-K87 HydrophobicContact CE2-CD 4.48Å; Y83-K87 VanDerWaalsContact O-CB 3.29Å; Y83-K87 WeakPolarHBondContact O-CB 3.43Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CD 3.34Å; Y83-K87 WeakPolarHBondContact OH-CE 3.38Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å
84R75.8Confident71.6Confident60 Ų6077.2 Ų77.223%0.22641%0.409CS..Hα-helixtrans-64.5-38.3176.1-77.4-70.6-69.9-108.9-24.2112.9W80 N81 I82 I88 Y110 E113W80-R84 WeakPolarHBondContact O-CB 3.49Å; W80-R84 WeakPolarHBondContact O-CG 3.4Å; W80-R84 PolarHBondContact O-N 2.94Å; N81-R84 PolarHBondContact O-N 3.47Å; I82-R84 VanDerWaalsContact C-N 3.26Å; I82-R84 PolarHBondContact O-N 2.98Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-Y110 VanDerWaalsContact NH2-CE1 3.25Å; R84-E113 IonicContact CZ-OE1 3.82Å; R84-E113 IonicContact CZ-OE2 3.19Å; R84-E113 IonicContact NH1-OE1 2.75Å; R84-E113 PolarHBondContact NH1-OE1 2.9Å; R84-E113 IonicContact NH1-OE2 2.82Å; R84-E113 PolarHBondContact NH1-OE2 2.86Å; R84-E113 IonicContact NH2-OE2 3.73Å; R84-E113 PolarHBondContact NH2-OE2 3.22Å
85Y74.4Confident70.7Confident120 Ų12077.5 Ų77.547%0.47141%0.412SS..Hα-helixtrans-68.9-38.7176.9-169.7-96.7000112.5M52 N81 I82 I88M52-Y85 HydrophobicContact CE-CD1 4.29Å; M52-Y85 HydrophobicContact CE-CD2 3.54Å; M52-Y85 HydrophobicContact CE-CE2 3.92Å; M52-Y85 HydrophobicContact CE-CG 3.74Å; M52-Y85 HydrophobicContact SD-CD2 4.25Å; M52-Y85 HydrophobicContact SD-CG 4.26Å; N81-Y85 PolarHBondContact O-N 2.98Å; I82-Y85 PolarHBondContact O-N 2.89Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; Y85-I88 HydrophobicContact CD2-CD1 3.97Å; Y85-I88 HydrophobicContact CE2-CD1 4.32Å; Y85-I88 HydrophobicContact CG-CD1 4.36Å; Y85-I88 WeakPolarHBondContact O-CD1 3.44Å; Y85-I88 WeakPolarHBondContact O-CG1 3.37Å
86V73.4Confident69.8Low111 Ų11174.4 Ų74.467%0.67340%0.396SS*.Hα-helixtrans-74.9-31.3179.6175.30000112.2I82 Y83 I88I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.1Å; I82-V86 PolarHBondContact O-N 3.49Å; Y83-V86 PolarHBondContact O-N 3.3Å; V86-I88 PolarHBondContact O-N 3.33Å
87K69.3Low69.3Low136 Ų13671.3 Ų71.359%0.59138%0.375SS*.THydrogen-bonded Turntrans-79.24.7-179.9-157.7179.6-176.6177.30113.8Y83 P89Y83-K87 HydrophobicContact CE1-CD 3.78Å; Y83-K87 HydrophobicContact CE2-CD 4.48Å; Y83-K87 VanDerWaalsContact O-CB 3.29Å; Y83-K87 WeakPolarHBondContact O-CB 3.43Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CD 3.34Å; Y83-K87 WeakPolarHBondContact OH-CE 3.38Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å; K87-P89 WeakPolarHBondContact O-CD 3.36Å
88I64.8Low68.5Low47 Ų4771.5 Ų71.524%0.24138%0.377CS..  trans-65.1120.9176-57.4167.5000108.3R84 Y85 V86 M90 N92 V95R84-I88 WeakPolarHBondContact O-CG1 3.42Å; Y85-I88 HydrophobicContact CD2-CD1 3.97Å; Y85-I88 HydrophobicContact CE2-CD1 4.32Å; Y85-I88 HydrophobicContact CG-CD1 4.36Å; Y85-I88 WeakPolarHBondContact O-CD1 3.44Å; Y85-I88 WeakPolarHBondContact O-CG1 3.37Å; V86-I88 PolarHBondContact O-N 3.33Å; I88-M90 PolarHBondContact O-N 3.22Å; I88-N92 HydrophobicContact CG2-CB 4.2Å; I88-V95 HydrophobicContact CD1-CG2 3.49Å; I88-V95 VanDerWaalsContact CD1-CG2 3.49Å; I88-V95 HydrophobicContact CG1-CG2 4.14Å
89P58.1Low67.8Low76 Ų7676.8 Ų76.849%0.49441%0.408SS..  trans-63.4134.317624.7-31.1000110.2K87 G91 N92K87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-G91 PolarHBondContact O-N 3.27Å; P89-N92 HydrophobicContact CG-CB 4.41Å; P89-N92 PolarHBondContact O-N 3.37Å
90M43.6Very low67.1Low209 Ų20978 Ų78100%1.0341%0.405SS*.THydrogen-bonded Turntrans-63.795.9176.3-71.4-171.2157.300109.5I88I88-M90 PolarHBondContact O-N 3.22Å
91G49.6Very low66.4Low78 Ų7872.4 Ų72.480%0.80438%0.384SS*.THydrogen-bonded Turntrans148.9-19.1-175.100000114.5P89P89-G91 PolarHBondContact O-N 3.27Å
92N59.2Low65.7Low46 Ų4678.4 Ų78.425%0.24641%0.411CS..  trans-75.1148.3176.2-104.311.6000112.1I88 P89 G94 D97 E100I88-N92 HydrophobicContact CG2-CB 4.2Å; P89-N92 HydrophobicContact CG-CB 4.41Å; P89-N92 PolarHBondContact O-N 3.37Å; N92-G94 PolarHBondContact O-N 2.88Å; N92-G94 VanDerWaalsContact O-N 3.08Å; N92-D97 PolarHBondContact OD1-OD2 3.15Å; N92-E100 PolarHBondContact ND2-OE2 3.31Å
93M58.2Low65.6Low127 Ų12778.9 Ų78.963%0.62642%0.415SS*.SBendtrans-72.15.6176-76.4-174.9-87.100114.1D97 P98M93-D97 PolarHBondContact N-OD2 3.08Å; M93-D97 VanDerWaalsContact N-OD2 3.1Å; M93-P98 HydrophobicContact CE-CG 3.74Å
94G62.2Low65Low11 Ų1183 Ų8311%0.11343%0.429CS..SBendtrans152.7-167-179.700000112.4N92 F96N92-G94 PolarHBondContact O-N 2.88Å; N92-G94 VanDerWaalsContact O-N 3.08Å; G94-F96 PolarHBondContact O-N 3.21Å
95V62.5Low65Low25 Ų2582.5 Ų82.515%0.15244%0.444CS..SBendtrans-62.5-27.6173.1173.40000111.9N45 V48 I88N45-V95 PolarHBondContact OD1-N 3.3Å; V48-V95 HydrophobicContact CG1-CG2 4.04Å; I88-V95 HydrophobicContact CD1-CG2 3.49Å; I88-V95 VanDerWaalsContact CD1-CG2 3.49Å; I88-V95 HydrophobicContact CG1-CG2 4.14Å
96F62.7Low65.1Low20 Ų2079.7 Ų79.79%0.08844%0.436CS..SBendtrans-117.2116.6178.2-62.4-83.3000109.2F23 C41 L44 V48 G94 I101 Y110F23-F96 HydrophobicContact CE1-CE2 4.28Å; C41-F96 HydrophobicContact CB-CB 4.21Å; C41-F96 WeakPolarHBondContact CB-O 3.27Å; L44-F96 HydrophobicContact CB-CD2 3.69Å; L44-F96 HydrophobicContact CB-CE2 3.97Å; L44-F96 HydrophobicContact CB-CG 4.25Å; L44-F96 HydrophobicContact CD2-CD1 3.97Å; L44-F96 HydrophobicContact CD2-CD2 4Å; L44-F96 HydrophobicContact CD2-CE1 3.89Å; L44-F96 HydrophobicContact CD2-CE2 3.91Å; L44-F96 HydrophobicContact CD2-CG 4.02Å; L44-F96 HydrophobicContact CD2-CZ 3.85Å; L44-F96 HydrophobicContact CG-CD2 4.42Å; L44-F96 HydrophobicContact CG-CE2 4.36Å; V48-F96 HydrophobicContact CG2-CD2 4.29Å; V48-F96 HydrophobicContact CG2-CE2 3.75Å; G94-F96 PolarHBondContact O-N 3.21Å; F96-I101 HydrophobicContact CB-CD1 4.4Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; F96-Y110 HydrophobicContact CE1-CD1 4.1Å; F96-Y110 HydrophobicContact CE1-CE1 4.45Å; F96-Y110 HydrophobicContact CE1-CG 4.18Å
97D71.6Confident65.4Low11 Ų1175 Ų756%0.05941%0.408CS..  trans-103.4130.2175.5-155.1-63.9000111.5N92 M93 T99 E100 I101N92-D97 PolarHBondContact OD1-OD2 3.15Å; M93-D97 PolarHBondContact N-OD2 3.08Å; M93-D97 VanDerWaalsContact N-OD2 3.1Å; D97-T99 PolarHBondContact O-N 3.1Å; D97-T99 PolarHBondContact OD1-N 3.5Å; D97-T99 PolarHBondContact OD1-OG1 2.77Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å; D97-E100 HydrophobicContact CB-CG 4.41Å; D97-E100 PolarHBondContact O-N 3.37Å; D97-E100 VanDerWaalsContact O-N 3.15Å; D97-I101 PolarHBondContact O-N 2.95Å; D97-I101 VanDerWaalsContact O-N 3.1Å
98P64.1Low66Low29 Ų2975 Ų7519%0.18841%0.408CS..THydrogen-bonded Turntrans-59-25.5-179.822.3-35.3000114.5A37 M93A37-P98 HydrophobicContact CB-CB 4.17Å; M93-P98 HydrophobicContact CE-CG 3.74Å
99T66.9Low66.9Low117 Ų11775.6 Ų75.672%0.71842%0.416SS*.THydrogen-bonded Turntrans-77.6-28.7178.153.80000113D97D97-T99 PolarHBondContact O-N 3.1Å; D97-T99 PolarHBondContact OD1-N 3.5Å; D97-T99 PolarHBondContact OD1-OG1 2.77Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å
100E67.4Low68Low79 Ų7973.3 Ų73.337%0.36940%0.397SS..THydrogen-bonded Turntrans-90.1-28.9-177.8-61.6-171.998.800112.3N92 D97 H102 N103N92-E100 PolarHBondContact ND2-OE2 3.31Å; D97-E100 HydrophobicContact CB-CG 4.41Å; D97-E100 PolarHBondContact O-N 3.37Å; D97-E100 VanDerWaalsContact O-N 3.15Å; E100-H102 VanDerWaalsContact C-N 3.3Å; E100-H102 PolarHBondContact O-N 2.84Å; E100-N103 WeakPolarHBondContact O-CB 3.38Å; E100-N103 PolarHBondContact O-N 2.91Å
101I69Low70Confident2 Ų264.8 Ų64.81%0.0136%0.356CS..THydrogen-bonded Turntrans-72.4-19.9-172.2-151.4160.9000114.2L27 L30 A37 F96 D97 N103 L107L27-I101 HydrophobicContact CD2-CD1 4.21Å; L30-I101 HydrophobicContact CD2-CB 4.41Å; L30-I101 HydrophobicContact CD2-CD1 3.74Å; L30-I101 HydrophobicContact CD2-CG1 3.7Å; L30-I101 HydrophobicContact CD2-CG2 3.9Å; A37-I101 HydrophobicContact CB-CG2 3.73Å; F96-I101 HydrophobicContact CB-CD1 4.4Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; D97-I101 PolarHBondContact O-N 2.95Å; D97-I101 VanDerWaalsContact O-N 3.1Å; I101-N103 PolarHBondContact O-N 3Å; I101-L107 HydrophobicContact CG1-CD1 4.25Å
102H67.1Low71.7Confident137 Ų13768 Ų6863%0.63435%0.347SS*.THydrogen-bonded Turntrans-76.5-12.4177-158.673.6000112.7E100 R104E100-H102 VanDerWaalsContact C-N 3.3Å; E100-H102 PolarHBondContact O-N 2.84Å; H102-R104 PolarHBondContact O-N 2.86Å; H102-R104 VanDerWaalsContact O-N 3.12Å
103N75.4Confident73Confident96 Ų9667.7 Ų67.751%0.51334%0.344SS..SBendtrans-71.4109.8173-170-3.7000109.6E100 I101 G105 L106 L107E100-N103 WeakPolarHBondContact O-CB 3.38Å; E100-N103 PolarHBondContact O-N 2.91Å; I101-N103 PolarHBondContact O-N 3Å; N103-G105 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact OD1-N 3.35Å; N103-L106 HydrophobicContact CB-CB 4.41Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 PolarHBondContact O-N 3.47Å; N103-L107 PolarHBondContact O-N 3.25Å; N103-L107 VanDerWaalsContact O-N 3.08Å
104R70.4Confident74.3Confident205 Ų20562.2 Ų62.277%0.77432%0.319SS*.Hα-helixtrans-52.5-29-177-70.1-173.2176.2-166.9-3.2113.7H102 K108H102-R104 PolarHBondContact O-N 2.86Å; H102-R104 VanDerWaalsContact O-N 3.12Å; R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.38Å
105G74.8Confident75.6Confident51 Ų5166.9 Ų66.953%0.52634%0.339SS..Hα-helixtrans-69.3-44.4175.800000113.4N103 S109N103-G105 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact OD1-N 3.35Å; G105-S109 PolarHBondContact O-N 3.31Å
106L75.9Confident76.8Confident60 Ų6070.9 Ų70.931%0.31436%0.359SS..Hα-helixtrans-70.2-40.3178.3-86.7136.5000111.4N103 K108 S109 Y110N103-L106 HydrophobicContact CB-CB 4.41Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 PolarHBondContact O-N 3.47Å; L106-K108 PolarHBondContact O-N 3Å; L106-S109 WeakPolarHBondContact O-CA 3.43Å; L106-S109 VanDerWaalsContact O-CB 3.31Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 3.35Å; L106-Y110 HydrophobicContact CB-CE2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 4.14Å; L106-Y110 WeakPolarHBondContact O-CD2 3.4Å; L106-Y110 PolarHBondContact O-N 3.28Å
107L80.2Confident78Confident14 Ų1471.8 Ų71.87%0.07336%0.363CS..Hα-helixtrans-57.7-46.5177.1-174.662.7000112L27 L30 E31 I101 N103 S109 Y110 M111L27-L107 HydrophobicContact CD2-CD1 3.91Å; L30-L107 HydrophobicContact CD2-CD1 4.16Å; E31-L107 HydrophobicContact CB-CD2 3.85Å; E31-L107 HydrophobicContact CG-CD2 4.21Å; I101-L107 HydrophobicContact CG1-CD1 4.25Å; N103-L107 PolarHBondContact O-N 3.25Å; N103-L107 VanDerWaalsContact O-N 3.08Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.49Å; L107-Y110 PolarHBondContact O-N 2.97Å; L107-M111 PolarHBondContact O-N 3.47Å
108K81.8Confident78.9Confident136 Ų13673 Ų7359%0.59137%0.369SS*.Hα-helixtrans-62.4-34.8175.1-74.6-173.3178-170.30112.7R104 L106 K112R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.38Å; L106-K108 PolarHBondContact O-N 3Å; K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.1Å
109S83.3Confident80.1Confident58 Ų5873.6 Ų73.641%0.40638%0.38SS..Hα-helixtrans-65.3-45.9174.5-165.20000111.3G105 L106 L107 K112 E113G105-S109 PolarHBondContact O-N 3.31Å; L106-S109 WeakPolarHBondContact O-CA 3.43Å; L106-S109 VanDerWaalsContact O-CB 3.31Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 3.35Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.49Å; S109-K112 PolarHBondContact O-N 2.82Å; S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 2.75Å
110Y83.1Confident81.1Confident29 Ų2969.9 Ų69.911%0.11435%0.353CS..Hα-helixtrans-63.5-40.7177.1-66.1-51.4000112.6R84 F96 L106 L107 E113 A114R84-Y110 VanDerWaalsContact NH2-CE1 3.25Å; F96-Y110 HydrophobicContact CE1-CD1 4.1Å; F96-Y110 HydrophobicContact CE1-CE1 4.45Å; F96-Y110 HydrophobicContact CE1-CG 4.18Å; L106-Y110 HydrophobicContact CB-CE2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 4.14Å; L106-Y110 WeakPolarHBondContact O-CD2 3.4Å; L106-Y110 PolarHBondContact O-N 3.28Å; L107-Y110 PolarHBondContact O-N 2.97Å; Y110-E113 PolarHBondContact O-N 2.92Å; Y110-A114 WeakPolarHBondContact O-CB 3.15Å; Y110-A114 PolarHBondContact O-N 2.78Å
111M84.4Confident82.1Confident30 Ų3066.4 Ų66.415%0.14834%0.337CS..Hα-helixtrans-64.1-42.5174.1-70.9-157.183.900112I24 L27 E31 L107 E113 A114 M115I24-M111 HydrophobicContact CG2-CE 4.01Å; L27-M111 HydrophobicContact CB-CE 4.38Å; L27-M111 HydrophobicContact CB-CG 3.9Å; L27-M111 HydrophobicContact CB-SD 4.43Å; L27-M111 HydrophobicContact CD1-CG 4.24Å; E31-M111 VanDerWaalsContact OE2-SD 3.4Å; L107-M111 PolarHBondContact O-N 3.47Å; M111-E113 VanDerWaalsContact C-N 3.34Å; M111-E113 PolarHBondContact O-N 2.95Å; M111-A114 PolarHBondContact O-N 2.97Å; M111-M115 WeakPolarHBondContact O-CB 3.38Å; M111-M115 VanDerWaalsContact O-CG 3.26Å; M111-M115 WeakPolarHBondContact O-CG 3.38Å; M111-M115 PolarHBondContact O-N 3.02Å
112K85.7Confident83.1Confident145 Ų14570 Ų7063%0.6336%0.356SS*.Hα-helixtrans-62.3-42176.5-173.7178.8177-176.30111.6K108 S109 M115 I116K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.1Å; S109-K112 PolarHBondContact O-N 2.82Å; K112-M115 PolarHBondContact O-N 2.96Å; K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 VanDerWaalsContact O-CG1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.49Å; K112-I116 PolarHBondContact O-N 3.18Å
113E85.6Confident84.2Confident39 Ų3968.1 Ų68.118%0.18235%0.35CS..Hα-helixtrans-60.9-46.4174.3-75.2175.5177.400112R84 S109 Y110 M111 M115 I116 K117R84-E113 IonicContact CZ-OE1 3.82Å; R84-E113 IonicContact CZ-OE2 3.19Å; R84-E113 IonicContact NH1-OE1 2.75Å; R84-E113 PolarHBondContact NH1-OE1 2.9Å; R84-E113 IonicContact NH1-OE2 2.82Å; R84-E113 PolarHBondContact NH1-OE2 2.86Å; R84-E113 IonicContact NH2-OE2 3.73Å; R84-E113 PolarHBondContact NH2-OE2 3.22Å; S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 2.75Å; Y110-E113 PolarHBondContact O-N 2.92Å; M111-E113 VanDerWaalsContact C-N 3.34Å; M111-E113 PolarHBondContact O-N 2.95Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.18Å; E113-I116 PolarHBondContact O-N 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.14Å
114A86.5Confident84.8Confident12 Ų1263.7 Ų63.710%0.09933%0.327CS..Hα-helixtrans-62.6-39.2177.400000112.1I24 Y110 M111 K117 L118I24-A114 HydrophobicContact CG1-CB 3.73Å; Y110-A114 WeakPolarHBondContact O-CB 3.15Å; Y110-A114 PolarHBondContact O-N 2.78Å; M111-A114 PolarHBondContact O-N 2.97Å; A114-K117 PolarHBondContact O-N 3.23Å; A114-L118 WeakPolarHBondContact O-CB 3.26Å; A114-L118 PolarHBondContact O-N 3.15Å
115M88.4Confident85.6Confident109 Ų10956.5 Ų56.554%0.53730%0.301SS..Hα-helixtrans-64.3-42.4174.4-74.6-72.4-71.700112.5I24 M111 K112 E113 L118 G119I24-M115 HydrophobicContact CD1-CG 4.31Å; I24-M115 HydrophobicContact CD1-SD 3.77Å; M111-M115 WeakPolarHBondContact O-CB 3.38Å; M111-M115 VanDerWaalsContact O-CG 3.26Å; M111-M115 WeakPolarHBondContact O-CG 3.38Å; M111-M115 PolarHBondContact O-N 3.02Å; K112-M115 PolarHBondContact O-N 2.96Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.18Å; M115-L118 PolarHBondContact O-N 3.15Å; M115-G119 PolarHBondContact O-N 3.39Å
116I89.3Confident86.3Confident109 Ų10960 Ų6056%0.55930%0.302SS*.Hα-helixtrans-64-44.7176.2-69.8165.4000110.2K112 E113 L118 G119 Y120K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 VanDerWaalsContact O-CG1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.49Å; K112-I116 PolarHBondContact O-N 3.18Å; E113-I116 PolarHBondContact O-N 3.29Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.11Å; I116-G119 PolarHBondContact O-N 3.33Å; I116-Y120 WeakPolarHBondContact O-CB 3.44Å; I116-Y120 PolarHBondContact O-N 3.1Å
117K86.9Confident86.9Confident40 Ų4059.1 Ų59.117%0.17430%0.297CS..Hα-helixtrans-58.7-45.3174.6-76.3-179.7175.1-170.10111.6E51 N81 E113 A114 G119 Y120 H121E51-K117 IonicContact OE1-NZ 3.72Å; E51-K117 PolarHBondContact OE1-NZ 2.65Å; E51-K117 IonicContact OE2-NZ 2.86Å; N81-K117 WeakPolarHBondContact OD1-CE 3.48Å; N81-K117 PolarHBondContact OD1-NZ 3.26Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.14Å; A114-K117 PolarHBondContact O-N 3.23Å; K117-G119 PolarHBondContact O-N 3.19Å; K117-Y120 PolarHBondContact O-N 3.1Å; K117-H121 PolarHBondContact O-N 3.39Å; K117-H121 PolarHBondContact O-ND1 2.91Å
118L89.8Confident87.2Confident35 Ų3558.7 Ų58.718%0.18330%0.295CS..Hα-helixtrans-57.8-50177.1178.869.2000111.2I17 V21 I24 A114 M115 I116 Y120 H121 L122I17-L118 HydrophobicContact CG2-CD1 3.95Å; V21-L118 HydrophobicContact CG2-CD1 3.71Å; V21-L118 HydrophobicContact CG2-CD2 4.37Å; I24-L118 HydrophobicContact CD1-CB 4.12Å; I24-L118 HydrophobicContact CD1-CD2 3.74Å; I24-L118 HydrophobicContact CD1-CG 4.48Å; A114-L118 WeakPolarHBondContact O-CB 3.26Å; A114-L118 PolarHBondContact O-N 3.15Å; M115-L118 PolarHBondContact O-N 3.15Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.11Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 2.98Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 PolarHBondContact O-N 3.27Å
119G89.6Confident87.5Confident42 Ų4255 Ų5543%0.43328%0.281SS..Hα-helixtrans-58.9-39.117800000112.6M115 I116 K117 L122 L123M115-G119 PolarHBondContact O-N 3.39Å; I116-G119 PolarHBondContact O-N 3.33Å; K117-G119 PolarHBondContact O-N 3.19Å; G119-L122 PolarHBondContact O-N 2.92Å; G119-L123 PolarHBondContact O-N 2.9Å
120Y88.8Confident87.7Confident39 Ų3959.3 Ų59.315%0.15329%0.29CS..Hα-helixtrans-65.1-48.7176.2176.2-87.9000112.7L73 N74 V77 I116 K117 L118 L122 L123 C124L73-Y120 HydrophobicContact CG-CE2 4.15Å; L73-Y120 PolarHBondContact O-OH 2.96Å; N74-Y120 WeakPolarHBondContact CA-OH 3.39Å; N74-Y120 PolarHBondContact N-OH 3.47Å; N74-Y120 PolarHBondContact OD1-OH 3.38Å; V77-Y120 HydrophobicContact CB-CD1 4.35Å; V77-Y120 HydrophobicContact CB-CE1 4.09Å; V77-Y120 HydrophobicContact CG1-CD1 4.44Å; V77-Y120 HydrophobicContact CG1-CE1 4.49Å; V77-Y120 HydrophobicContact CG2-CD1 3.56Å; V77-Y120 HydrophobicContact CG2-CD2 3.8Å; V77-Y120 HydrophobicContact CG2-CE1 3.55Å; V77-Y120 HydrophobicContact CG2-CE2 3.8Å; V77-Y120 HydrophobicContact CG2-CG 3.7Å; I116-Y120 WeakPolarHBondContact O-CB 3.44Å; I116-Y120 PolarHBondContact O-N 3.1Å; K117-Y120 PolarHBondContact O-N 3.1Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 2.98Å; Y120-L122 VanDerWaalsContact C-N 3.26Å; Y120-L122 PolarHBondContact O-N 2.95Å; Y120-L123 PolarHBondContact O-N 3.29Å; Y120-C124 WeakPolarHBondContact CE1-SG 3.47Å; Y120-C124 PolarHBondContact O-N 3.12Å; Y120-C124 PolarHBondContact O-SG 2.98Å; Y120-C124 VanDerWaalsContact O-SG 3.34Å; Y120-C124 PolarHBondContact OH-SG 2.9Å
121H88.7Confident87.8Confident6 Ų659 Ų593%0.02829%0.292CS..Hα-helixtrans-63.1-36.3178.1-67.396.7000111.2C13 I17 Q55 K117 L118 C124 F125C13-H121 PolarHBondContact SG-O 3Å; I17-H121 HydrophobicContact CD1-CB 4.47Å; I17-H121 HydrophobicContact CG1-CB 3.65Å; Q55-H121 PolarHBondContact NE2-CE1 3.45Å; Q55-H121 PolarHBondContact NE2-NE2 3.48Å; Q55-H121 VanDerWaalsContact NE2-NE2 3.16Å; K117-H121 PolarHBondContact O-N 3.39Å; K117-H121 PolarHBondContact O-ND1 2.91Å; L118-H121 PolarHBondContact O-N 3.38Å; H121-C124 PolarHBondContact O-N 3.45Å; H121-F125 WeakPolarHBondContact O-CB 3.31Å; H121-F125 PolarHBondContact O-N 3.41Å
122L89.9Confident87.9Confident79 Ų7959.8 Ų59.841%0.41430%0.296SS..Hα-helixtrans-65-40.7176.2-164156.1000111.9L118 G119 Y120 F125 F126L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 PolarHBondContact O-N 3.27Å; G119-L122 PolarHBondContact O-N 2.92Å; Y120-L122 VanDerWaalsContact C-N 3.26Å; Y120-L122 PolarHBondContact O-N 2.95Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 3.14Å; L122-F126 HydrophobicContact CD2-CD2 3.91Å; L122-F126 HydrophobicContact CD2-CE2 3.41Å; L122-F126 VanDerWaalsContact CD2-CE2 3.41Å; L122-F126 HydrophobicContact CD2-CZ 4.41Å; L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 2.9Å
123L89.9Confident88Confident97 Ų9756.5 Ų56.551%0.50828%0.284SS..Hα-helixtrans-64.3-44.7173.6-165.8157.5000110.9G119 Y120 F125 F126 I127G119-L123 PolarHBondContact O-N 2.9Å; Y120-L123 PolarHBondContact O-N 3.29Å; L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.46Å; L123-F126 PolarHBondContact O-N 3.26Å; L123-I127 HydrophobicContact CD2-CD1 3.45Å; L123-I127 VanDerWaalsContact CD2-CD1 3.45Å; L123-I127 HydrophobicContact CD2-CG1 4.17Å; L123-I127 PolarHBondContact O-N 3.19Å
124C86.8Confident88Confident2 Ų258.4 Ų58.41%0.01430%0.295CS..Hα-helixtrans-61.1-36.9175.7-68.50000112.5Y120 H121 F126 I127 Y128Y120-C124 WeakPolarHBondContact CE1-SG 3.47Å; Y120-C124 PolarHBondContact O-N 3.12Å; Y120-C124 PolarHBondContact O-SG 2.98Å; Y120-C124 VanDerWaalsContact O-SG 3.34Å; Y120-C124 PolarHBondContact OH-SG 2.9Å; H121-C124 PolarHBondContact O-N 3.45Å; C124-F126 PolarHBondContact O-N 3.42Å; C124-I127 PolarHBondContact O-N 3.01Å; C124-Y128 HydrophobicContact CB-CE2 4.25Å; C124-Y128 VanDerWaalsContact O-CG 3.24Å; C124-Y128 PolarHBondContact O-N 3.33Å
125F88.9Confident87.9Confident54 Ų5458.4 Ų58.424%0.23730%0.296CS..Hα-helixtrans-57.2-46.9175.8178.5-94.5000112L10 C14 I17 H121 L122 L123 I127 Y128 L129L10-F125 HydrophobicContact CD2-CD2 3.65Å; L10-F125 HydrophobicContact CD2-CE2 3.52Å; L10-F125 HydrophobicContact CD2-CG 4.4Å; L10-F125 HydrophobicContact CD2-CZ 4.2Å; C14-F125 VanDerWaalsContact SG-CE2 3.5Å; I17-F125 HydrophobicContact CD1-CB 4.02Å; I17-F125 HydrophobicContact CD1-CD2 4.41Å; I17-F125 HydrophobicContact CD1-CG 4.35Å; H121-F125 WeakPolarHBondContact O-CB 3.31Å; H121-F125 PolarHBondContact O-N 3.41Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 3.14Å; L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.46Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-Y128 PolarHBondContact O-N 3.38Å; F125-L129 HydrophobicContact CE1-CD1 3.92Å; F125-L129 HydrophobicContact CZ-CD1 4.23Å; F125-L129 VanDerWaalsContact O-CB 3.32Å; F125-L129 WeakPolarHBondContact O-CB 3.43Å; F125-L129 PolarHBondContact O-N 3.25Å
126F89.5Confident87.8Confident125 Ų12558.4 Ų58.455%0.54830%0.297SS..Hα-helixtrans-65.1-37.4176.5-73.1-60.9000112.8L122 L123 C124 L129 Y130L122-F126 HydrophobicContact CD2-CD2 3.91Å; L122-F126 HydrophobicContact CD2-CE2 3.41Å; L122-F126 VanDerWaalsContact CD2-CE2 3.41Å; L122-F126 HydrophobicContact CD2-CZ 4.41Å; L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 2.9Å; L123-F126 PolarHBondContact O-N 3.26Å; C124-F126 PolarHBondContact O-N 3.42Å; F126-L129 PolarHBondContact O-N 3.33Å; F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 3.36Å
127I87.6Confident87.7Confident42 Ų4259.3 Ų59.322%0.21530%0.302CS..Hα-helixtrans-63.7-48.1175.3-67.5175.7000110.4I70 L73 L123 C124 F125 L129 Y130 S131I70-I127 HydrophobicContact CG1-CG2 4.37Å; L73-I127 HydrophobicContact CD2-CD1 3.51Å; L123-I127 HydrophobicContact CD2-CD1 3.45Å; L123-I127 VanDerWaalsContact CD2-CD1 3.45Å; L123-I127 HydrophobicContact CD2-CG1 4.17Å; L123-I127 PolarHBondContact O-N 3.19Å; C124-I127 PolarHBondContact O-N 3.01Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.08Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.43Å; I127-Y130 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-N 2.93Å; I127-S131 PolarHBondContact O-OG 2.86Å
128Y86.7Confident87.3Confident4 Ų464.4 Ų64.42%0.01633%0.331CS..Hα-helixtrans-62.5-38.6178.1-62.9-21.3000112.2C13 I70 N74 C124 F125 S131 M132C13-Y128 HydrophobicContact CB-CD2 3.94Å; C13-Y128 HydrophobicContact CB-CE2 4.03Å; I70-Y128 HydrophobicContact CG2-CD1 4.41Å; I70-Y128 HydrophobicContact CG2-CE1 3.52Å; N74-Y128 PolarHBondContact ND2-OH 2.8Å; N74-Y128 PolarHBondContact OD1-OH 2.72Å; C124-Y128 HydrophobicContact CB-CE2 4.25Å; C124-Y128 VanDerWaalsContact O-CG 3.24Å; C124-Y128 PolarHBondContact O-N 3.33Å; F125-Y128 PolarHBondContact O-N 3.38Å; Y128-S131 PolarHBondContact O-N 3.08Å; Y128-M132 VanDerWaalsContact O-CB 3.27Å; Y128-M132 WeakPolarHBondContact O-CB 3.36Å; Y128-M132 PolarHBondContact O-N 3.04Å
129L87.8Confident86Confident60 Ų6069.8 Ų69.831%0.31436%0.36SS..Hα-helixtrans-62.7-46.7175.5-167.3159.3000110.8L10 F125 F126 I127 M132 I133L10-L129 HydrophobicContact CD2-CB 4.27Å; F125-L129 HydrophobicContact CE1-CD1 3.92Å; F125-L129 HydrophobicContact CZ-CD1 4.23Å; F125-L129 VanDerWaalsContact O-CB 3.32Å; F125-L129 WeakPolarHBondContact O-CB 3.43Å; F125-L129 PolarHBondContact O-N 3.25Å; F126-L129 PolarHBondContact O-N 3.33Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.43Å; L129-M132 PolarHBondContact O-N 3.27Å; L129-I133 HydrophobicContact CD2-CD1 3.49Å; L129-I133 VanDerWaalsContact CD2-CD1 3.49Å; L129-I133 HydrophobicContact CD2-CG1 4.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.15Å
130Y88.2Confident85.8Confident148 Ų14871.2 Ų71.258%0.5836%0.356SS*.Hα-helixtrans-62-47176.7178-104000112.2F126 I127 M132 I133 L134F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 3.36Å; I127-Y130 PolarHBondContact O-N 3.2Å; Y130-M132 VanDerWaalsContact C-N 3.33Å; Y130-M132 PolarHBondContact O-N 3.41Å; Y130-I133 PolarHBondContact O-N 3.41Å; Y130-L134 HydrophobicContact CD1-CD1 3.91Å; Y130-L134 HydrophobicContact CE1-CD1 3.27Å; Y130-L134 HydrophobicContact CE1-CG 4.09Å; Y130-L134 HydrophobicContact CE2-CD1 4.32Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 3.43Å
131S84.3Confident85.7Confident23 Ų2372.9 Ų72.916%0.16137%0.367CS..Hα-helixtrans-62.6-38.1177-65.80000112.6I127 Y128 L134 A135I127-S131 PolarHBondContact O-N 2.93Å; I127-S131 PolarHBondContact O-OG 2.86Å; Y128-S131 PolarHBondContact O-N 3.08Å; S131-L134 PolarHBondContact O-N 2.96Å; S131-A135 WeakPolarHBondContact O-CB 3.4Å; S131-A135 PolarHBondContact O-N 3Å
132M86.7Confident85.5Confident46 Ų4676.6 Ų76.623%0.22739%0.386CS..Hα-helixtrans-61.8-47174.2-174-160.872.100111.4F6 I7 L10 Y128 L129 Y130 L134 A135 L136F6-M132 HydrophobicContact CB-CB 3.86Å; F6-M132 HydrophobicContact CB-CG 4.12Å; I7-M132 HydrophobicContact CG1-CG 4.24Å; I7-M132 HydrophobicContact CG1-SD 3.81Å; L10-M132 HydrophobicContact CD1-CB 4.08Å; L10-M132 HydrophobicContact CD1-CE 4.47Å; L10-M132 HydrophobicContact CD1-CG 4.27Å; L10-M132 HydrophobicContact CD1-SD 3.5Å; L10-M132 VanDerWaalsContact CD1-SD 3.5Å; Y128-M132 VanDerWaalsContact O-CB 3.27Å; Y128-M132 WeakPolarHBondContact O-CB 3.36Å; Y128-M132 PolarHBondContact O-N 3.04Å; L129-M132 PolarHBondContact O-N 3.27Å; Y130-M132 VanDerWaalsContact C-N 3.33Å; Y130-M132 PolarHBondContact O-N 3.41Å; M132-L134 VanDerWaalsContact C-N 3.35Å; M132-L134 PolarHBondContact O-N 3.35Å; M132-A135 PolarHBondContact O-N 2.98Å; M132-L136 WeakPolarHBondContact O-CB 3.48Å; M132-L136 PolarHBondContact O-N 2.84Å
133I88.4Confident85.2Confident75 Ų7576.5 Ų76.539%0.38538%0.384SS..Hα-helixtrans-62-44.7179.3-69.1174.3000110.5L129 Y130 L136 I137L129-I133 HydrophobicContact CD2-CD1 3.49Å; L129-I133 VanDerWaalsContact CD2-CD1 3.49Å; L129-I133 HydrophobicContact CD2-CG1 4.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.15Å; Y130-I133 PolarHBondContact O-N 3.41Å; I133-L136 PolarHBondContact O-N 3.24Å; I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 VanDerWaalsContact O-CG1 3.27Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 3.45Å
134L86.2Confident84.9Confident79 Ų7975.2 Ų75.241%0.41438%0.376SS..Hα-helixtrans-61.5-44.8176.9-75.5-179.3000112.3Y130 S131 M132 L136 I137 N138Y130-L134 HydrophobicContact CD1-CD1 3.91Å; Y130-L134 HydrophobicContact CE1-CD1 3.27Å; Y130-L134 HydrophobicContact CE1-CG 4.09Å; Y130-L134 HydrophobicContact CE2-CD1 4.32Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact O-N 2.96Å; M132-L134 VanDerWaalsContact C-N 3.35Å; M132-L134 PolarHBondContact O-N 3.35Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.12Å; L134-I137 PolarHBondContact O-N 3.12Å; L134-N138 VanDerWaalsContact O-CB 3.25Å; L134-N138 WeakPolarHBondContact O-CB 3.41Å; L134-N138 PolarHBondContact O-N 3.48Å
135A83.9Confident84.8Confident13 Ų1380.1 Ų80.111%0.10740%0.401CS..Hα-helixtrans-60.9-39.7176.600000111.4F6 S131 M132 N138 D139F6-A135 HydrophobicContact CD2-CB 3.9Å; F6-A135 HydrophobicContact CE2-CB 4.01Å; S131-A135 WeakPolarHBondContact O-CB 3.4Å; S131-A135 PolarHBondContact O-N 3Å; M132-A135 PolarHBondContact O-N 2.98Å; A135-N138 PolarHBondContact O-N 3.03Å; A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 3.45Å
136L85.4Confident84.5Confident108 Ų10881.9 Ų81.957%0.56541%0.412SS*.Hα-helixtrans-71.4-29.9178.5-159.382.9000113.6A3 M132 I133 L134A3-L136 HydrophobicContact CB-CD1 4.38Å; M132-L136 WeakPolarHBondContact O-CB 3.48Å; M132-L136 PolarHBondContact O-N 2.84Å; I133-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.12Å
137I88Confident84.1Confident128 Ų12878.6 Ų78.666%0.65640%0.402SS*.Hα-helixtrans-77.8-30.7176.3-71.2168.5000111.1I133 L134I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 VanDerWaalsContact O-CG1 3.27Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 3.12Å
138N78.3Confident83.9Confident148 Ų14881.7 Ų81.779%0.79142%0.417SS*.Hα-helixtrans-94.2-12.3-176.1-162.358.7000113.4L134 A135L134-N138 VanDerWaalsContact O-CB 3.25Å; L134-N138 WeakPolarHBondContact O-CB 3.41Å; L134-N138 PolarHBondContact O-N 3.48Å; A135-N138 PolarHBondContact O-N 3.03Å
139D62.5Low83.6Confident148 Ų14888.7 Ų88.779%0.79145%0.454SS*.  trans-76.10161.3-94.2-45.4000110.1A135A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 3.45Å

Retrieved 139 of 139 residues in 215 ms (Link to these results)