A0A3Q0KSH3_SCHMA Loading...

Lysophospholipid acyltransferase 5

AlphaFold DB , UniProt , Accession A0A3Q0KSH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 555 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
1M80.7Confident89.6Confident118 Ų11885.7 Ų85.758%0.58142%0.416SS*.  0-49.90-72-56.1-73.100111.5F4 A5 L23 W61M1-F4 WeakPolarHBondContact O-CB 3.2Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.15Å; M1-A5 PolarHBondContact O-N 2.98Å; M1-L23 HydrophobicContact CE-CB 4.39Å; M1-L23 HydrophobicContact CE-CD1 4.2Å; M1-W61 HydrophobicContact CB-CH2 4.11Å; M1-W61 HydrophobicContact CB-CZ2 3.65Å; M1-W61 HydrophobicContact CE-CH2 3.42Å; M1-W61 VanDerWaalsContact CE-CH2 3.42Å; M1-W61 HydrophobicContact CE-CZ2 4.13Å; M1-W61 HydrophobicContact CE-CZ3 3.97Å
2E90.6Very high89.1Confident63 Ų6387.8 Ų87.829%0.29443%0.43SS..Hα-helixtrans-58.6-52.2-179.7-169.752.2-14500113.6F4 A5 S6 R20 W61E2-F4 PolarHBondContact O-N 3.48Å; E2-F4 VanDerWaalsContact O-N 3.12Å; E2-A5 WeakPolarHBondContact O-CB 3.23Å; E2-A5 PolarHBondContact O-N 3.47Å; E2-S6 PolarHBondContact O-N 3.1Å; E2-S6 PolarHBondContact O-OG 3.26Å; E2-R20 VanDerWaalsContact CD-NE 3.34Å; E2-R20 VanDerWaalsContact CD-NH2 3.33Å; E2-R20 IonicContact OE1-CZ 2.88Å; E2-R20 IonicContact OE1-NE 2.68Å; E2-R20 PolarHBondContact OE1-NE 3.25Å; E2-R20 IonicContact OE1-NH2 2.73Å; E2-R20 PolarHBondContact OE1-NH2 2.82Å; E2-R20 IonicContact OE2-CZ 3.11Å; E2-R20 IonicContact OE2-NE 3.27Å; E2-R20 PolarHBondContact OE2-NE 2.99Å; E2-R20 IonicContact OE2-NH2 3.48Å; E2-W61 PolarHBondContact OE2-NE1 2.83Å
3T91.1Very high88.5Confident120 Ų12086.8 Ų86.874%0.73646%0.456SS*.Hα-helixtrans-54.5-35.3174.9-42.50000113Y7T3-Y7 WeakPolarHBondContact O-CB 3.46Å; T3-Y7 PolarHBondContact O-N 3.47Å
4F91.2Very high88.1Confident108 Ų10884.7 Ų84.747%0.47445%0.449SS..Hα-helixtrans-72.7-38.6177.6-179.8-111.5000112M1 E2 Y7 I8 L23M1-F4 WeakPolarHBondContact O-CB 3.2Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.15Å; E2-F4 PolarHBondContact O-N 3.48Å; E2-F4 VanDerWaalsContact O-N 3.12Å; F4-Y7 PolarHBondContact O-N 3.22Å; F4-I8 HydrophobicContact CD1-CD1 3.89Å; F4-I8 HydrophobicContact CD2-CD1 4.39Å; F4-I8 HydrophobicContact CE1-CD1 3.39Å; F4-I8 HydrophobicContact CE2-CD1 3.95Å; F4-I8 HydrophobicContact CE2-CG1 4.39Å; F4-I8 HydrophobicContact CG-CD1 4.38Å; F4-I8 HydrophobicContact CZ-CD1 3.44Å; F4-I8 VanDerWaalsContact CZ-CD1 3.44Å; F4-I8 HydrophobicContact CZ-CG1 4.34Å; F4-I8 WeakPolarHBondContact O-CG1 3.47Å; F4-I8 PolarHBondContact O-N 3.23Å; F4-L23 HydrophobicContact CD1-CD1 4.02Å; F4-L23 HydrophobicContact CE1-CD1 4.38Å; F4-L23 HydrophobicContact CE1-CD2 4.08Å
5A90.5Very high88Confident0 Ų085.2 Ų85.20%045%0.452CS..Hα-helixtrans-64.6-44.8174.700000111.3M1 E2 I8 S9 V16 I19 R20 L23 W61M1-A5 PolarHBondContact O-N 2.98Å; E2-A5 WeakPolarHBondContact O-CB 3.23Å; E2-A5 PolarHBondContact O-N 3.47Å; A5-I8 PolarHBondContact O-N 2.83Å; A5-S9 VanDerWaalsContact O-CB 3.25Å; A5-S9 WeakPolarHBondContact O-CB 3.33Å; A5-S9 PolarHBondContact O-N 3.03Å; A5-V16 HydrophobicContact CB-CG2 4.33Å; A5-I19 HydrophobicContact CB-CG2 4Å; A5-R20 HydrophobicContact CB-CG 4.15Å; A5-L23 HydrophobicContact CB-CD1 4.01Å; A5-W61 HydrophobicContact CB-CZ2 4.48Å
6S92Very high88.1Confident39 Ų3982.1 Ų82.127%0.27344%0.437SS..Hα-helixtrans-61.2-45.1175-55.60000111.9E2 I8 S9 E10E2-S6 PolarHBondContact O-N 3.1Å; E2-S6 PolarHBondContact O-OG 3.26Å; S6-I8 PolarHBondContact O-N 3.34Å; S6-S9 WeakPolarHBondContact O-CB 3.33Å; S6-S9 PolarHBondContact O-N 3.06Å; S6-E10 WeakPolarHBondContact O-CG 3.48Å; S6-E10 PolarHBondContact O-N 3.5Å
7Y92.8Very high88.3Confident131 Ų13178.5 Ų78.551%0.51442%0.421SS..Hα-helixtrans-57.5-44.8176.2173.5-99000112.8T3 F4 K11T3-Y7 WeakPolarHBondContact O-CB 3.46Å; T3-Y7 PolarHBondContact O-N 3.47Å; F4-Y7 PolarHBondContact O-N 3.22Å; Y7-K11 WeakPolarHBondContact O-CB 3.42Å; Y7-K11 PolarHBondContact O-N 2.81Å; Y7-K11 VanDerWaalsContact O-N 3.16Å
8I89.3Confident88.3Confident37 Ų3776.8 Ų76.819%0.1942%0.416CS..Hα-helixtrans-67.4-41.7177-69.4172.4000111F4 A5 S6 K11 L12 I19F4-I8 HydrophobicContact CD1-CD1 3.89Å; F4-I8 HydrophobicContact CD2-CD1 4.39Å; F4-I8 HydrophobicContact CE1-CD1 3.39Å; F4-I8 HydrophobicContact CE2-CD1 3.95Å; F4-I8 HydrophobicContact CE2-CG1 4.39Å; F4-I8 HydrophobicContact CG-CD1 4.38Å; F4-I8 HydrophobicContact CZ-CD1 3.44Å; F4-I8 VanDerWaalsContact CZ-CD1 3.44Å; F4-I8 HydrophobicContact CZ-CG1 4.34Å; F4-I8 WeakPolarHBondContact O-CG1 3.47Å; F4-I8 PolarHBondContact O-N 3.23Å; A5-I8 PolarHBondContact O-N 2.83Å; S6-I8 PolarHBondContact O-N 3.34Å; I8-K11 PolarHBondContact O-N 2.93Å; I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.41Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 3.04Å; I8-I19 HydrophobicContact CB-CG2 4.02Å; I8-I19 HydrophobicContact CG2-CD1 3.8Å; I8-I19 HydrophobicContact CG2-CG1 4.13Å; I8-I19 HydrophobicContact CG2-CG2 3.92Å
9S89.2Confident88.5Confident18 Ų1873.3 Ų73.313%0.12640%0.397CS..Hα-helixtrans-57.4-49178.81680000111.4A5 S6 L12 G13 T14 V16A5-S9 VanDerWaalsContact O-CB 3.25Å; A5-S9 WeakPolarHBondContact O-CB 3.33Å; A5-S9 PolarHBondContact O-N 3.03Å; S6-S9 WeakPolarHBondContact O-CB 3.33Å; S6-S9 PolarHBondContact O-N 3.06Å; S9-L12 PolarHBondContact O-N 2.89Å; S9-G13 PolarHBondContact O-N 3.26Å; S9-T14 WeakPolarHBondContact CA-O 3.31Å; S9-T14 WeakPolarHBondContact CB-O 3.49Å; S9-T14 PolarHBondContact O-N 3.02Å; S9-T14 VanDerWaalsContact O-N 3.09Å; S9-T14 PolarHBondContact OG-O 3.43Å; S9-V16 PolarHBondContact OG-N 3.18Å
10E90.4Very high88.8Confident154 Ų15472.6 Ų72.672%0.7239%0.388SS*.Hα-helixtrans-60.8-46.4176-72.8172.5-169.100111.7S6 L12 G13S6-E10 WeakPolarHBondContact O-CG 3.48Å; S6-E10 PolarHBondContact O-N 3.5Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.49Å; E10-G13 PolarHBondContact O-N 2.89Å
11K87.7Confident89Confident155 Ų15570.1 Ų70.167%0.67438%0.375SS*.Hα-helixtrans-65.3-32.4-178.8-171173.2-175.9173.60113.6Y7 I8Y7-K11 WeakPolarHBondContact O-CB 3.42Å; Y7-K11 PolarHBondContact O-N 2.81Å; Y7-K11 VanDerWaalsContact O-N 3.16Å; I8-K11 PolarHBondContact O-N 2.93Å
12L83.2Confident89.6Confident110 Ų11066.3 Ų66.358%0.57636%0.357SS*.Hα-helixtrans-97.3-3.5-178.6-64.2-179000113.4I8 S9 E10 T14 I19I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.41Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 3.04Å; S9-L12 PolarHBondContact O-N 2.89Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.49Å; L12-T14 PolarHBondContact O-N 2.89Å; L12-T14 PolarHBondContact O-OG1 3.41Å; L12-I19 HydrophobicContact CD1-CD1 4.32Å
13G82.3Confident89.8Confident75 Ų7564.3 Ų64.377%0.77335%0.348SS*.THydrogen-bonded Turntrans5634.7-173.400000112.8S9 E10S9-G13 PolarHBondContact O-N 3.26Å; E10-G13 PolarHBondContact O-N 2.89Å
14T81.8Confident90Very high58 Ų5858.6 Ų58.636%0.35631%0.313SS..  trans-118.7146.3-174-60.10000109.9S9 L12 V16 C18 I19S9-T14 WeakPolarHBondContact CA-O 3.31Å; S9-T14 WeakPolarHBondContact CB-O 3.49Å; S9-T14 PolarHBondContact O-N 3.02Å; S9-T14 VanDerWaalsContact O-N 3.09Å; S9-T14 PolarHBondContact OG-O 3.43Å; L12-T14 PolarHBondContact O-N 2.89Å; L12-T14 PolarHBondContact O-OG1 3.41Å; T14-V16 PolarHBondContact O-N 3.15Å; T14-C18 HydrophobicContact CG2-CB 3.97Å; T14-I19 HydrophobicContact CG2-CD1 4.28Å
15D87Confident90.2Very high92 Ų9253.9 Ų53.949%0.49229%0.292SS..  trans-53130.5176.5-172.3-21.3000112.2A17 C18 I19D15-A17 PolarHBondContact O-N 3.49Å; D15-A17 WeakPolarHBondContact OD1-CB 3.41Å; D15-A17 PolarHBondContact OD1-N 2.9Å; D15-C18 WeakPolarHBondContact O-CB 3.38Å; D15-C18 PolarHBondContact O-N 2.87Å; D15-I19 PolarHBondContact O-N 3.07Å
16V90.5Very high90.5Very high36 Ų3656.2 Ų56.222%0.21830%0.302CS..Hα-helixtrans-55.1-34176.768.20000112.3A5 S9 T14 C18 I19 R20A5-V16 HydrophobicContact CB-CG2 4.33Å; S9-V16 PolarHBondContact OG-N 3.18Å; T14-V16 PolarHBondContact O-N 3.15Å; V16-C18 VanDerWaalsContact C-N 3.3Å; V16-C18 PolarHBondContact O-N 3.41Å; V16-I19 PolarHBondContact O-N 3.22Å; V16-I19 VanDerWaalsContact O-N 3.15Å; V16-R20 HydrophobicContact CG2-CG 4.47Å; V16-R20 WeakPolarHBondContact O-CG 3.38Å; V16-R20 PolarHBondContact O-N 3.37Å
17A90.2Very high90.7Very high20 Ų2057.9 Ų57.917%0.16531%0.307CS..Hα-helixtrans-62-37.9176.600000112.1D15 I19 R20 L21D15-A17 PolarHBondContact O-N 3.49Å; D15-A17 WeakPolarHBondContact OD1-CB 3.41Å; D15-A17 PolarHBondContact OD1-N 2.9Å; A17-I19 VanDerWaalsContact C-N 3.35Å; A17-R20 PolarHBondContact O-N 2.98Å; A17-L21 WeakPolarHBondContact O-CB 3.14Å; A17-L21 PolarHBondContact O-N 3.39Å
18C89.4Confident90.9Very high48 Ų4851.7 Ų51.732%0.32428%0.283SS..Hα-helixtrans-66.2-39.6175.5-660000111.4T14 D15 V16 L21 L22 I116T14-C18 HydrophobicContact CG2-CB 3.97Å; D15-C18 WeakPolarHBondContact O-CB 3.38Å; D15-C18 PolarHBondContact O-N 2.87Å; V16-C18 VanDerWaalsContact C-N 3.3Å; V16-C18 PolarHBondContact O-N 3.41Å; C18-L21 PolarHBondContact O-N 2.94Å; C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 PolarHBondContact O-N 3.05Å; C18-I116 HydrophobicContact CB-CD1 4.26Å; C18-I116 WeakPolarHBondContact SG-CD1 3.35Å
19I92.2Very high91.3Very high10 Ų1051.3 Ų51.35%0.05128%0.279CS..Hα-helixtrans-68.5-44.2177.8-57-53.3000111A5 I8 L12 T14 D15 V16 A17 L21 L22 L23A5-I19 HydrophobicContact CB-CG2 4Å; I8-I19 HydrophobicContact CB-CG2 4.02Å; I8-I19 HydrophobicContact CG2-CD1 3.8Å; I8-I19 HydrophobicContact CG2-CG1 4.13Å; I8-I19 HydrophobicContact CG2-CG2 3.92Å; L12-I19 HydrophobicContact CD1-CD1 4.32Å; T14-I19 HydrophobicContact CG2-CD1 4.28Å; D15-I19 PolarHBondContact O-N 3.07Å; V16-I19 PolarHBondContact O-N 3.22Å; V16-I19 VanDerWaalsContact O-N 3.15Å; A17-I19 VanDerWaalsContact C-N 3.35Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 3.25Å; I19-L22 PolarHBondContact O-N 3.03Å; I19-L23 HydrophobicContact CG2-CD1 3.99Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.23Å; I19-L23 PolarHBondContact O-N 3.23Å
20R94.1Very high91.7Very high60 Ų6053 Ų5323%0.22629%0.29CS..Hα-helixtrans-57.5-45174.2-71.5-176.6-168.8149.54.2111.3E2 A5 V16 A17 L23 S24 W61 N62E2-R20 VanDerWaalsContact CD-NE 3.34Å; E2-R20 VanDerWaalsContact CD-NH2 3.33Å; E2-R20 IonicContact OE1-CZ 2.88Å; E2-R20 IonicContact OE1-NE 2.68Å; E2-R20 PolarHBondContact OE1-NE 3.25Å; E2-R20 IonicContact OE1-NH2 2.73Å; E2-R20 PolarHBondContact OE1-NH2 2.82Å; E2-R20 IonicContact OE2-CZ 3.11Å; E2-R20 IonicContact OE2-NE 3.27Å; E2-R20 PolarHBondContact OE2-NE 2.99Å; E2-R20 IonicContact OE2-NH2 3.48Å; A5-R20 HydrophobicContact CB-CG 4.15Å; V16-R20 HydrophobicContact CG2-CG 4.47Å; V16-R20 WeakPolarHBondContact O-CG 3.38Å; V16-R20 PolarHBondContact O-N 3.37Å; A17-R20 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 3.48Å; R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 3Å; R20-S24 PolarHBondContact O-OG 3.2Å; R20-W61 HydrophobicContact CG-CZ2 4.3Å; R20-N62 VanDerWaalsContact C-OD1 3.23Å; R20-N62 PolarHBondContact O-OD1 3.29Å
21L93.1Very high92.1Very high20 Ų2046.4 Ų46.411%0.10526%0.259CS..Hα-helixtrans-60.9-49.6177.1-177.765.4000110.7A17 C18 I19 L23 S24 M25 N62 I116 L175A17-L21 WeakPolarHBondContact O-CB 3.14Å; A17-L21 PolarHBondContact O-N 3.39Å; C18-L21 PolarHBondContact O-N 2.94Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 3.25Å; L21-L23 PolarHBondContact O-N 3Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 2.96Å; L21-S24 VanDerWaalsContact O-N 3.14Å; L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.11Å; L21-N62 VanDerWaalsContact CA-OD1 3.3Å; L21-N62 WeakPolarHBondContact CA-OD1 3.34Å; L21-N62 PolarHBondContact N-OD1 3.44Å; L21-N62 VanDerWaalsContact N-OD1 3.16Å; L21-I116 HydrophobicContact CD2-CD1 3.93Å; L21-I116 HydrophobicContact CD2-CG2 4.12Å; L21-L175 HydrophobicContact CD1-CB 4.13Å; L21-L175 HydrophobicContact CD1-CD1 4.03Å; L21-L175 HydrophobicContact CD1-CD2 4.04Å; L21-L175 HydrophobicContact CD1-CG 4.28Å
22L93Very high92.5Very high39 Ų3939 Ų3920%0.20423%0.227CC..Hα-helixtrans-60.1-45.4179.7-179.561.2000112.5C18 I19 S24 M25 F26 L228 I275 I278C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 PolarHBondContact O-N 3.05Å; I19-L22 PolarHBondContact O-N 3.03Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 3.46Å; L22-M25 WeakPolarHBondContact O-CB 3.5Å; L22-M25 PolarHBondContact O-N 2.73Å; L22-F26 HydrophobicContact CD1-CE1 4.14Å; L22-F26 HydrophobicContact CD1-CE2 3.95Å; L22-F26 HydrophobicContact CD1-CZ 3.61Å; L22-F26 HydrophobicContact CD2-CE2 4.18Å; L22-F26 HydrophobicContact CD2-CZ 4.38Å; L22-F26 HydrophobicContact CG-CD2 4.4Å; L22-F26 HydrophobicContact CG-CE2 3.73Å; L22-F26 HydrophobicContact CG-CZ 3.93Å; L22-F26 PolarHBondContact O-N 3.11Å; L22-F26 VanDerWaalsContact O-N 3.09Å; L22-L228 HydrophobicContact CD1-CD2 3.49Å; L22-L228 VanDerWaalsContact CD1-CD2 3.49Å; L22-L228 HydrophobicContact CD2-CD2 3.78Å; L22-L228 HydrophobicContact CG-CD2 4.3Å; L22-I275 HydrophobicContact CD1-CD1 4.08Å; L22-I278 HydrophobicContact CD1-CD1 4.45Å
23L94.8Very high93.1Very high21 Ų2138 Ų3811%0.1122%0.218CC..Hα-helixtrans-62.9-37.3176.5-69.3176.3000111.3M1 F4 A5 I19 R20 L21 M25 F26 M27 W61M1-L23 HydrophobicContact CE-CB 4.39Å; M1-L23 HydrophobicContact CE-CD1 4.2Å; F4-L23 HydrophobicContact CD1-CD1 4.02Å; F4-L23 HydrophobicContact CE1-CD1 4.38Å; F4-L23 HydrophobicContact CE1-CD2 4.08Å; A5-L23 HydrophobicContact CB-CD1 4.01Å; I19-L23 HydrophobicContact CG2-CD1 3.99Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.23Å; I19-L23 PolarHBondContact O-N 3.23Å; R20-L23 PolarHBondContact O-N 3.48Å; L21-L23 PolarHBondContact O-N 3Å; L23-M25 VanDerWaalsContact C-N 3.32Å; L23-M25 PolarHBondContact O-N 3.42Å; L23-F26 HydrophobicContact CD2-CD2 4.44Å; L23-F26 PolarHBondContact O-N 3.13Å; L23-F26 VanDerWaalsContact O-N 3.15Å; L23-M27 WeakPolarHBondContact O-CG 3.46Å; L23-M27 PolarHBondContact O-N 2.96Å; L23-W61 HydrophobicContact CB-CH2 3.59Å; L23-W61 HydrophobicContact CB-CZ3 3.99Å; L23-W61 HydrophobicContact CD1-CH2 3.84Å; L23-W61 HydrophobicContact CD1-CZ2 4.36Å; L23-W61 HydrophobicContact CG-CH2 4.38Å
24S96.1Very high93.7Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-64.2-37.6175.3-59.10000112.3R20 L21 L22 F26 M27 G28 N62R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 3Å; R20-S24 PolarHBondContact O-OG 3.2Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 2.96Å; L21-S24 VanDerWaalsContact O-N 3.14Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 3.46Å; S24-F26 VanDerWaalsContact C-N 3.31Å; S24-F26 PolarHBondContact O-N 3.17Å; S24-M27 PolarHBondContact O-N 3.25Å; S24-G28 PolarHBondContact O-N 3.33Å; S24-N62 PolarHBondContact OG-ND2 3Å
25M94.5Very high94.3Very high9 Ų935.4 Ų35.44%0.04418%0.184CC..Hα-helixtrans-62.6-38.8172.5-62.5-60.4-68.800111.8L21 L22 L23 G28 L175 T176 I275 I278 A279L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.11Å; L22-M25 WeakPolarHBondContact O-CB 3.5Å; L22-M25 PolarHBondContact O-N 2.73Å; L23-M25 VanDerWaalsContact C-N 3.32Å; L23-M25 PolarHBondContact O-N 3.42Å; M25-G28 PolarHBondContact O-N 2.78Å; M25-L175 HydrophobicContact SD-CB 4.25Å; M25-L175 HydrophobicContact SD-CD1 4.29Å; M25-T176 HydrophobicContact CE-CG2 4.35Å; M25-T176 WeakPolarHBondContact CE-OG1 3.48Å; M25-T176 HydrophobicContact SD-CG2 4.09Å; M25-I275 HydrophobicContact CE-CG2 4.12Å; M25-I278 HydrophobicContact CB-CG2 4.11Å; M25-A279 HydrophobicContact CE-CB 3.27Å
26F96.2Very high94.4Very high48 Ų4833 Ų3321%0.21117%0.17CC..Hα-helixtrans-70-37.2174.1-63.6-31.5000112.8L22 L23 S24 G28 Y29 P30 F221 H225 I278L22-F26 HydrophobicContact CD1-CE1 4.14Å; L22-F26 HydrophobicContact CD1-CE2 3.95Å; L22-F26 HydrophobicContact CD1-CZ 3.61Å; L22-F26 HydrophobicContact CD2-CE2 4.18Å; L22-F26 HydrophobicContact CD2-CZ 4.38Å; L22-F26 HydrophobicContact CG-CD2 4.4Å; L22-F26 HydrophobicContact CG-CE2 3.73Å; L22-F26 HydrophobicContact CG-CZ 3.93Å; L22-F26 PolarHBondContact O-N 3.11Å; L22-F26 VanDerWaalsContact O-N 3.09Å; L23-F26 HydrophobicContact CD2-CD2 4.44Å; L23-F26 PolarHBondContact O-N 3.13Å; L23-F26 VanDerWaalsContact O-N 3.15Å; S24-F26 VanDerWaalsContact C-N 3.31Å; S24-F26 PolarHBondContact O-N 3.17Å; F26-G28 PolarHBondContact O-N 3.32Å; F26-G28 VanDerWaalsContact O-N 3.17Å; F26-Y29 WeakPolarHBondContact O-CB 3.46Å; F26-Y29 PolarHBondContact O-N 3.35Å; F26-P30 WeakPolarHBondContact O-CD 3.44Å; F26-F221 HydrophobicContact CD1-CE2 4.05Å; F26-F221 HydrophobicContact CE1-CE2 4.15Å; F26-H225 AromaticContact CE1-CE1 3.9Å; F26-H225 AromaticContact CE1-ND1 3.44Å; F26-H225 WeakPolarHBondContact CE1-ND1 3.27Å; F26-H225 AromaticContact CE2-CE1 3.89Å; F26-H225 AromaticContact CZ-CE1 3.28Å; F26-H225 WeakPolarHBondContact CZ-CE1 3.36Å; F26-H225 AromaticContact CZ-ND1 3.23Å; F26-H225 WeakPolarHBondContact CZ-ND1 3.4Å; F26-I278 HydrophobicContact CD1-CG2 4.01Å; F26-I278 HydrophobicContact CE1-CD1 3.97Å; F26-I278 HydrophobicContact CE1-CG2 4.01Å
27M96.6Very high94.2Very high74 Ų7436.2 Ų36.237%0.36519%0.185SC..Hα-helixtrans-61.2-22.3174.5-71.8-56-63.500113L23 S24 Y29 P30 I31 L58L23-M27 WeakPolarHBondContact O-CG 3.46Å; L23-M27 PolarHBondContact O-N 2.96Å; S24-M27 PolarHBondContact O-N 3.25Å; M27-Y29 PolarHBondContact O-N 2.95Å; M27-P30 HydrophobicContact CE-CG 4.14Å; M27-P30 WeakPolarHBondContact O-CD 3.45Å; M27-P30 VanDerWaalsContact O-CG 3.31Å; M27-P30 WeakPolarHBondContact O-CG 3.25Å; M27-P30 HydrophobicContact SD-CG 4.2Å; M27-I31 HydrophobicContact CB-CD1 4.41Å; M27-I31 WeakPolarHBondContact O-CB 3.36Å; M27-I31 VanDerWaalsContact O-CD1 3.29Å; M27-I31 WeakPolarHBondContact O-CD1 3.48Å; M27-I31 WeakPolarHBondContact O-CG1 3.47Å; M27-I31 PolarHBondContact O-N 2.9Å; M27-L58 HydrophobicContact CB-CD2 3.93Å; M27-L58 HydrophobicContact CG-CD2 4.46Å
28G97.1Very high94.3Very high1 Ų140.7 Ų40.71%0.0120%0.2CC..Hα-helixtrans-55.6-29.317000000113.9S24 M25 F26 A32S24-G28 PolarHBondContact O-N 3.33Å; M25-G28 PolarHBondContact O-N 2.78Å; F26-G28 PolarHBondContact O-N 3.32Å; F26-G28 VanDerWaalsContact O-N 3.17Å; G28-A32 WeakPolarHBondContact O-CB 3.21Å; G28-A32 PolarHBondContact O-N 3.49Å
29Y97.8Very high94.3Very high29 Ų2938.8 Ų38.811%0.11419%0.188CC..Hα-helixtrans-74.4-52.9-179.8-71.3-100.8000114.1F26 M27 I31 A32 F33 T217 F221 I278 G281 S282 L285F26-Y29 WeakPolarHBondContact O-CB 3.46Å; F26-Y29 PolarHBondContact O-N 3.35Å; M27-Y29 PolarHBondContact O-N 2.95Å; Y29-I31 VanDerWaalsContact C-N 3.29Å; Y29-I31 PolarHBondContact O-N 2.82Å; Y29-A32 PolarHBondContact O-N 3.45Å; Y29-F33 WeakPolarHBondContact O-CB 3.4Å; Y29-F33 PolarHBondContact O-N 3.27Å; Y29-T217 HydrophobicContact CD1-CG2 4.29Å; Y29-T217 HydrophobicContact CE1-CG2 3.89Å; Y29-F221 HydrophobicContact CD1-CD2 4.39Å; Y29-F221 HydrophobicContact CD2-CD2 4.4Å; Y29-F221 HydrophobicContact CE1-CB 3.88Å; Y29-F221 AromaticContact CE1-CD2 3.73Å; Y29-F221 HydrophobicContact CE1-CD2 3.73Å; Y29-F221 HydrophobicContact CE1-CG 4.03Å; Y29-F221 AromaticContact CE2-CD2 3.78Å; Y29-F221 HydrophobicContact CE2-CD2 3.78Å; Y29-F221 HydrophobicContact CE2-CE2 4.26Å; Y29-F221 AromaticContact CZ-CD2 3.4Å; Y29-F221 VanDerWaalsContact CZ-CD2 3.4Å; Y29-I278 HydrophobicContact CE2-CG2 3.81Å; Y29-I278 WeakPolarHBondContact CE2-O 3.46Å; Y29-I278 PolarHBondContact OH-O 3.34Å; Y29-G281 WeakPolarHBondContact OH-CA 3.07Å; Y29-S282 PolarHBondContact OH-N 3.45Å; Y29-L285 HydrophobicContact CD1-CD2 4Å
30P97.8Very high94Very high55 Ų5543.1 Ų43.136%0.35722%0.219SC..Hα-helixtrans-62.8-36.3174.422.9-32.2000112F26 M27 F33 I34F26-P30 WeakPolarHBondContact O-CD 3.44Å; M27-P30 HydrophobicContact CE-CG 4.14Å; M27-P30 WeakPolarHBondContact O-CD 3.45Å; M27-P30 VanDerWaalsContact O-CG 3.31Å; M27-P30 WeakPolarHBondContact O-CG 3.25Å; M27-P30 HydrophobicContact SD-CG 4.2Å; P30-F33 PolarHBondContact O-N 3.18Å; P30-I34 VanDerWaalsContact O-CG1 3.29Å; P30-I34 WeakPolarHBondContact O-CG1 3.47Å; P30-I34 PolarHBondContact O-N 3.43Å
31I98.3Very high93.8Very high14 Ų1444.9 Ų44.97%0.07224%0.241CC..Hα-helixtrans-60.5-49.6173.3-67.9165.4000110.3M27 Y29 F33 I34 Y35 Y50 C54 L58 P171M27-I31 HydrophobicContact CB-CD1 4.41Å; M27-I31 WeakPolarHBondContact O-CB 3.36Å; M27-I31 VanDerWaalsContact O-CD1 3.29Å; M27-I31 WeakPolarHBondContact O-CD1 3.48Å; M27-I31 WeakPolarHBondContact O-CG1 3.47Å; M27-I31 PolarHBondContact O-N 2.9Å; Y29-I31 VanDerWaalsContact C-N 3.29Å; Y29-I31 PolarHBondContact O-N 2.82Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.15Å; I31-I34 PolarHBondContact O-N 2.73Å; I31-Y35 WeakPolarHBondContact O-CB 3.31Å; I31-Y35 PolarHBondContact O-N 3.11Å; I31-Y50 WeakPolarHBondContact CA-OH 3.41Å; I31-Y50 HydrophobicContact CG2-CE1 3.78Å; I31-Y50 PolarHBondContact O-OH 2.89Å; I31-Y50 VanDerWaalsContact O-OH 3.08Å; I31-C54 HydrophobicContact CD1-CB 4.06Å; I31-C54 HydrophobicContact CG1-CB 4.43Å; I31-C54 HydrophobicContact CG2-CB 4.03Å; I31-L58 HydrophobicContact CD1-CD1 3.84Å; I31-L58 HydrophobicContact CD1-CG 4.34Å; I31-P171 HydrophobicContact CD1-CB 4.27Å; I31-P171 HydrophobicContact CG2-CB 4.21Å; I31-P171 HydrophobicContact CG2-CG 3.71Å
32A96.9Very high93.9Very high0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-60.9-39.2177.300000112.8G28 Y29 Y35 D36 T172 L285 I286G28-A32 WeakPolarHBondContact O-CB 3.21Å; G28-A32 PolarHBondContact O-N 3.49Å; Y29-A32 PolarHBondContact O-N 3.45Å; A32-Y35 PolarHBondContact O-N 3.26Å; A32-D36 WeakPolarHBondContact O-CB 3.46Å; A32-D36 PolarHBondContact O-N 2.61Å; A32-T172 HydrophobicContact CB-CG2 4.31Å; A32-L285 HydrophobicContact CB-CB 3.95Å; A32-L285 HydrophobicContact CB-CD2 3.93Å; A32-L285 HydrophobicContact CB-CG 3.82Å; A32-I286 HydrophobicContact CB-CB 3.63Å; A32-I286 HydrophobicContact CB-CD1 4.44Å; A32-I286 HydrophobicContact CB-CG1 4.16Å
33F94.5Very high93.9Very high88 Ų8853.9 Ų53.939%0.38627%0.271SS..Hα-helixtrans-66.4-47.1178.8-178.2-103.1000112.1Y29 P30 I31 Y35 D36 M37 F208 L285Y29-F33 WeakPolarHBondContact O-CB 3.4Å; Y29-F33 PolarHBondContact O-N 3.27Å; P30-F33 PolarHBondContact O-N 3.18Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.15Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.08Å; F33-D36 PolarHBondContact O-N 2.92Å; F33-M37 HydrophobicContact CD1-SD 3.84Å; F33-M37 HydrophobicContact CE1-CG 4.29Å; F33-M37 HydrophobicContact CE1-SD 3.18Å; F33-M37 WeakPolarHBondContact CE1-SD 3.39Å; F33-M37 HydrophobicContact CE2-CG 4.5Å; F33-M37 HydrophobicContact CE2-SD 4.17Å; F33-M37 HydrophobicContact CZ-CG 4.25Å; F33-M37 HydrophobicContact CZ-SD 3.37Å; F33-M37 WeakPolarHBondContact CZ-SD 3.38Å; F33-M37 WeakPolarHBondContact O-CG 3.3Å; F33-M37 PolarHBondContact O-N 3.11Å; F33-F208 HydrophobicContact CE2-CE1 4.24Å; F33-L285 HydrophobicContact CB-CD2 4.48Å
34I95.9Very high94Very high72 Ų7256.4 Ų56.437%0.36929%0.287SS..Hα-helixtrans-60.6-43.6176.2-68.7165.8000110.4P30 I31 M37 K38 W42 Y50P30-I34 VanDerWaalsContact O-CG1 3.29Å; P30-I34 WeakPolarHBondContact O-CG1 3.47Å; P30-I34 PolarHBondContact O-N 3.43Å; I31-I34 PolarHBondContact O-N 2.73Å; I34-M37 PolarHBondContact O-N 3.45Å; I34-K38 HydrophobicContact CG2-CD 4.32Å; I34-K38 WeakPolarHBondContact O-CB 3.47Å; I34-K38 PolarHBondContact O-N 2.82Å; I34-W42 HydrophobicContact CG2-CH2 4.48Å; I34-Y50 WeakPolarHBondContact CB-OH 3.45Å; I34-Y50 HydrophobicContact CG2-CE2 4.05Å
35Y94.8Very high94Very high8 Ų860 Ų603%0.03131%0.313CS..Hα-helixtrans-60.7-50.3175.5-172.2-85.8000111.4I31 A32 F33 M37 K38 A39 W42 R47 Y50 L51 F188 I286I31-Y35 WeakPolarHBondContact O-CB 3.31Å; I31-Y35 PolarHBondContact O-N 3.11Å; A32-Y35 PolarHBondContact O-N 3.26Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.08Å; Y35-M37 PolarHBondContact O-N 3.31Å; Y35-K38 PolarHBondContact O-N 3.2Å; Y35-A39 HydrophobicContact CD1-CB 3.72Å; Y35-A39 HydrophobicContact CD2-CB 4.2Å; Y35-A39 HydrophobicContact CE1-CB 3.5Å; Y35-A39 HydrophobicContact CE2-CB 4.05Å; Y35-A39 HydrophobicContact CG-CB 4.06Å; Y35-A39 WeakPolarHBondContact O-CA 3.42Å; Y35-A39 WeakPolarHBondContact O-CB 3.42Å; Y35-A39 PolarHBondContact O-N 2.9Å; Y35-W42 HydrophobicContact CD2-CZ3 4.03Å; Y35-R47 HydrophobicContact CE2-CB 3.97Å; Y35-R47 HydrophobicContact CE2-CG 4.28Å; Y35-Y50 AromaticContact CD2-CD1 3.59Å; Y35-Y50 HydrophobicContact CD2-CD1 3.59Å; Y35-Y50 AromaticContact CD2-CE1 3.94Å; Y35-Y50 HydrophobicContact CD2-CE1 3.94Å; Y35-Y50 HydrophobicContact CD2-CG 4.48Å; Y35-Y50 HydrophobicContact CE2-CD1 4.41Å; Y35-Y50 HydrophobicContact CG-CD1 4.49Å; Y35-Y50 HydrophobicContact CG-CE1 4.42Å; Y35-L51 HydrophobicContact CD2-CD2 3.96Å; Y35-L51 HydrophobicContact CD2-CG 4.26Å; Y35-L51 HydrophobicContact CE2-CD1 4.01Å; Y35-L51 HydrophobicContact CE2-CD2 3.98Å; Y35-L51 HydrophobicContact CE2-CG 3.88Å; Y35-F188 HydrophobicContact CD1-CE2 4.46Å; Y35-F188 HydrophobicContact CD1-CZ 4.18Å; Y35-F188 AromaticContact CE1-CE2 3.7Å; Y35-F188 HydrophobicContact CE1-CE2 3.7Å; Y35-F188 AromaticContact CE1-CZ 3.44Å; Y35-F188 HydrophobicContact CE1-CZ 3.44Å; Y35-F188 VanDerWaalsContact CE1-CZ 3.44Å; Y35-F188 AromaticContact CZ-CZ 3.63Å; Y35-I286 HydrophobicContact CD1-CD1 4.23Å; Y35-I286 HydrophobicContact CD1-CG1 3.61Å; Y35-I286 HydrophobicContact CE1-CG1 4.31Å; Y35-I286 HydrophobicContact CG-CD1 4.07Å; Y35-I286 HydrophobicContact CG-CG1 3.89Å
36D88.7Confident94.1Very high40 Ų4066.1 Ų66.121%0.21434%0.336CS..Hα-helixtrans-61.1-30.1179.8-171.861.6000113.2A32 F33 R207 K213A32-D36 WeakPolarHBondContact O-CB 3.46Å; A32-D36 PolarHBondContact O-N 2.61Å; F33-D36 PolarHBondContact O-N 2.92Å; D36-R207 PolarHBondContact O-NH2 3.49Å; D36-R207 IonicContact OD2-NH2 2.67Å; D36-K213 IonicContact OD1-NZ 3.64Å; D36-K213 PolarHBondContact OD1-NZ 3.33Å; D36-K213 IonicContact OD2-NZ 2.7Å; D36-K213 PolarHBondContact OD2-NZ 3.14Å
37M87.2Confident94.2Very high105 Ų10565.9 Ų65.952%0.51733%0.334SS..Hα-helixtrans-77.6-38.4176.4-73.8-174.271.500113.5F33 I34 Y35F33-M37 HydrophobicContact CD1-SD 3.84Å; F33-M37 HydrophobicContact CE1-CG 4.29Å; F33-M37 HydrophobicContact CE1-SD 3.18Å; F33-M37 WeakPolarHBondContact CE1-SD 3.39Å; F33-M37 HydrophobicContact CE2-CG 4.5Å; F33-M37 HydrophobicContact CE2-SD 4.17Å; F33-M37 HydrophobicContact CZ-CG 4.25Å; F33-M37 HydrophobicContact CZ-SD 3.37Å; F33-M37 WeakPolarHBondContact CZ-SD 3.38Å; F33-M37 WeakPolarHBondContact O-CG 3.3Å; F33-M37 PolarHBondContact O-N 3.11Å; I34-M37 PolarHBondContact O-N 3.45Å; Y35-M37 PolarHBondContact O-N 3.31Å
38K91Very high94.2Very high113 Ų11363.1 Ų63.149%0.49132%0.32SS..Hα-helixtrans-109.7-21.2-167.6-63.6-170.1174.4-173.10114.6I34 Y35 S40 S41 W42I34-K38 HydrophobicContact CG2-CD 4.32Å; I34-K38 WeakPolarHBondContact O-CB 3.47Å; I34-K38 PolarHBondContact O-N 2.82Å; Y35-K38 PolarHBondContact O-N 3.2Å; K38-S40 PolarHBondContact O-N 3.04Å; K38-S40 VanDerWaalsContact O-N 3.14Å; K38-S41 PolarHBondContact O-N 2.88Å; K38-S41 PolarHBondContact O-OG 3.34Å; K38-W42 HydrophobicContact CB-CD2 4.22Å; K38-W42 VanDerWaalsContact CB-CE2 3.5Å; K38-W42 HydrophobicContact CB-CH2 3.82Å; K38-W42 HydrophobicContact CB-CZ2 3.29Å; K38-W42 HydrophobicContact CB-CZ3 4.46Å; K38-W42 HydrophobicContact CD-CH2 4.46Å; K38-W42 HydrophobicContact CD-CZ2 3.68Å; K38-W42 HydrophobicContact CG-CZ2 4.11Å; K38-W42 PolarHBondContact O-N 2.98Å
39A90.1Very high94.3Very high8 Ų867 Ų677%0.06634%0.34CS..G310 helixtrans-60-32.3-172.200000112.9Y35 S41 W42 R47Y35-A39 HydrophobicContact CD1-CB 3.72Å; Y35-A39 HydrophobicContact CD2-CB 4.2Å; Y35-A39 HydrophobicContact CE1-CB 3.5Å; Y35-A39 HydrophobicContact CE2-CB 4.05Å; Y35-A39 HydrophobicContact CG-CB 4.06Å; Y35-A39 WeakPolarHBondContact O-CA 3.42Å; Y35-A39 WeakPolarHBondContact O-CB 3.42Å; Y35-A39 PolarHBondContact O-N 2.9Å; A39-S41 PolarHBondContact O-N 3.21Å; A39-W42 HydrophobicContact CB-CE3 4.25Å; A39-W42 PolarHBondContact O-N 2.65Å; A39-R47 HydrophobicContact CB-CG 4.33Å; A39-R47 PolarHBondContact O-NE 3.49Å; A39-R47 PolarHBondContact O-NH2 2.81Å
40S85.5Confident94.3Very high102 Ų10267.6 Ų67.671%0.71334%0.342SS*.G310 helixtrans-59.9-31.1177.555.70000113.4K38K38-S40 PolarHBondContact O-N 3.04Å; K38-S40 VanDerWaalsContact O-N 3.14Å
41S90.3Very high94.4Very high97 Ų9765 Ų6568%0.67833%0.325SS*.G310 helixtrans-88.3-8.7175.966.70000113.6K38 A39K38-S41 PolarHBondContact O-N 2.88Å; K38-S41 PolarHBondContact O-OG 3.34Å; A39-S41 PolarHBondContact O-N 3.21Å
42W93.9Very high94.4Very high57 Ų5766 Ų6622%0.21633%0.329CS..SBendtrans-91.5140-178.4-64.8-14000112.5I34 Y35 K38 A39 R47 Y50I34-W42 HydrophobicContact CG2-CH2 4.48Å; Y35-W42 HydrophobicContact CD2-CZ3 4.03Å; K38-W42 HydrophobicContact CB-CD2 4.22Å; K38-W42 VanDerWaalsContact CB-CE2 3.5Å; K38-W42 HydrophobicContact CB-CH2 3.82Å; K38-W42 HydrophobicContact CB-CZ2 3.29Å; K38-W42 HydrophobicContact CB-CZ3 4.46Å; K38-W42 HydrophobicContact CD-CH2 4.46Å; K38-W42 HydrophobicContact CD-CZ2 3.68Å; K38-W42 HydrophobicContact CG-CZ2 4.11Å; K38-W42 PolarHBondContact O-N 2.98Å; A39-W42 HydrophobicContact CB-CE3 4.25Å; A39-W42 PolarHBondContact O-N 2.65Å; W42-R47 HydrophobicContact CB-CG 4.05Å; W42-R47 HydrophobicContact CE3-CG 4.41Å; W42-R47 PolarHBondContact O-NE 3.03Å; W42-R47 PolarHBondContact O-NH2 3.02Å; W42-Y50 HydrophobicContact CH2-CD1 4.5Å; W42-Y50 AromaticContact CH2-CD2 3.6Å; W42-Y50 HydrophobicContact CH2-CD2 3.6Å; W42-Y50 AromaticContact CH2-CE2 3.93Å; W42-Y50 HydrophobicContact CH2-CE2 3.93Å; W42-Y50 AromaticContact CH2-CG 3.91Å; W42-Y50 HydrophobicContact CH2-CG 3.91Å; W42-Y50 HydrophobicContact CZ3-CD1 4.08Å; W42-Y50 AromaticContact CZ3-CD2 3.86Å; W42-Y50 HydrophobicContact CZ3-CD2 3.86Å; W42-Y50 HydrophobicContact CZ3-CE2 4.44Å; W42-Y50 AromaticContact CZ3-CG 3.65Å; W42-Y50 HydrophobicContact CZ3-CG 3.65Å
43R94.8Very high94.5Very high190 Ų19069 Ų6972%0.71735%0.348SS*.  trans-61.5154.2163.5-59.5-179176.1177.1-2.1110.4S45 Y46 R47R43-S45 VanDerWaalsContact C-N 3.28Å; R43-S45 PolarHBondContact O-N 2.94Å; R43-Y46 HydrophobicContact CB-CD2 3.85Å; R43-Y46 HydrophobicContact CB-CE2 4.39Å; R43-Y46 HydrophobicContact CG-CD2 4.28Å; R43-Y46 HydrophobicContact CG-CE2 4.43Å; R43-Y46 WeakPolarHBondContact O-CB 3.45Å; R43-Y46 PolarHBondContact O-N 3.24Å; R43-R47 PolarHBondContact O-N 3.5Å; R43-R47 VanDerWaalsContact O-N 3.14Å
44T95.2Very high94.7Very high74 Ų7465.8 Ų65.845%0.45434%0.336SS..Hα-helixtrans-50.6-43.8178.8-56.20000113.4Y46 R47 H48 I189T44-Y46 VanDerWaalsContact C-N 3.31Å; T44-Y46 PolarHBondContact O-N 3.12Å; T44-R47 WeakPolarHBondContact O-CB 3.46Å; T44-R47 PolarHBondContact O-N 3.02Å; T44-R47 VanDerWaalsContact O-N 3.12Å; T44-H48 PolarHBondContact O-N 3.2Å; T44-I189 HydrophobicContact CG2-CG2 3.61Å
45S96.1Very high94.8Very high77 Ų7762.3 Ų62.354%0.53832%0.318SS..Hα-helixtrans-62.1-36.7178.7-49.40000113R43 H48 L49R43-S45 VanDerWaalsContact C-N 3.28Å; R43-S45 PolarHBondContact O-N 2.94Å; S45-H48 PolarHBondContact O-N 2.9Å; S45-L49 WeakPolarHBondContact O-CB 3.28Å; S45-L49 PolarHBondContact O-N 3.06Å
46Y97.3Very high95Very high136 Ų13663.2 Ų63.253%0.53332%0.324SS..Hα-helixtrans-70.7-33.8175.6-68.3-58.9000112R43 T44 L49 Y50R43-Y46 HydrophobicContact CB-CD2 3.85Å; R43-Y46 HydrophobicContact CB-CE2 4.39Å; R43-Y46 HydrophobicContact CG-CD2 4.28Å; R43-Y46 HydrophobicContact CG-CE2 4.43Å; R43-Y46 WeakPolarHBondContact O-CB 3.45Å; R43-Y46 PolarHBondContact O-N 3.24Å; T44-Y46 VanDerWaalsContact C-N 3.31Å; T44-Y46 PolarHBondContact O-N 3.12Å; Y46-L49 PolarHBondContact O-N 3.03Å; Y46-Y50 VanDerWaalsContact O-CB 3.28Å; Y46-Y50 WeakPolarHBondContact O-CB 3.47Å; Y46-Y50 PolarHBondContact O-N 3.33Å
47R97.6Very high95.5Very high43 Ų4366.5 Ų66.516%0.16234%0.341CS..Hα-helixtrans-62-45.9172.1-62.8-179.9-170-176.41.6110.9Y35 A39 W42 R43 T44 L51 I189Y35-R47 HydrophobicContact CE2-CB 3.97Å; Y35-R47 HydrophobicContact CE2-CG 4.28Å; A39-R47 HydrophobicContact CB-CG 4.33Å; A39-R47 PolarHBondContact O-NE 3.49Å; A39-R47 PolarHBondContact O-NH2 2.81Å; W42-R47 HydrophobicContact CB-CG 4.05Å; W42-R47 HydrophobicContact CE3-CG 4.41Å; W42-R47 PolarHBondContact O-NE 3.03Å; W42-R47 PolarHBondContact O-NH2 3.02Å; R43-R47 PolarHBondContact O-N 3.5Å; R43-R47 VanDerWaalsContact O-N 3.14Å; T44-R47 WeakPolarHBondContact O-CB 3.46Å; T44-R47 PolarHBondContact O-N 3.02Å; T44-R47 VanDerWaalsContact O-N 3.12Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.45Å; R47-L51 PolarHBondContact O-N 3.37Å; R47-I189 HydrophobicContact CB-CD1 4.37Å; R47-I189 PolarHBondContact NH1-O 3.36Å
48H98.4Very high96Very high17 Ų1762 Ų628%0.07932%0.319CS..Hα-helixtrans-62.6-48.6175-66161.2000112T44 S45 Y50 L51 F52 L162 A166T44-H48 PolarHBondContact O-N 3.2Å; S45-H48 PolarHBondContact O-N 2.9Å; H48-Y50 VanDerWaalsContact C-N 3.32Å; H48-Y50 PolarHBondContact O-N 2.63Å; H48-L51 PolarHBondContact O-N 3.2Å; H48-F52 WeakPolarHBondContact O-CB 3.43Å; H48-F52 PolarHBondContact O-N 3.19Å; H48-L162 HydrophobicContact CB-CD1 4.44Å; H48-L162 HydrophobicContact CB-CD2 4.14Å; H48-L162 HydrophobicContact CB-CG 3.83Å; H48-A166 HydrophobicContact CB-CB 3.84Å; H48-A166 WeakPolarHBondContact O-CB 3.21Å
49L98.5Very high96.3Very high81 Ų8156.7 Ų56.742%0.42430%0.296SS..Hα-helixtrans-59.4-43.7-179.4-176.162.7000111.4S45 Y46 F52 T53S45-L49 WeakPolarHBondContact O-CB 3.28Å; S45-L49 PolarHBondContact O-N 3.06Å; Y46-L49 PolarHBondContact O-N 3.03Å; L49-F52 PolarHBondContact O-N 3.1Å; L49-T53 VanDerWaalsContact O-CB 3.28Å; L49-T53 WeakPolarHBondContact O-CB 3.33Å; L49-T53 PolarHBondContact O-N 2.78Å; L49-T53 PolarHBondContact O-OG1 3.15Å
50Y98.7Very high96.7Very high42 Ų4259.5 Ų59.517%0.16531%0.31CS..Hα-helixtrans-58.8-51.4176.8177.6-90.7000112I31 I34 Y35 W42 Y46 H48 F52 T53 C54I31-Y50 WeakPolarHBondContact CA-OH 3.41Å; I31-Y50 HydrophobicContact CG2-CE1 3.78Å; I31-Y50 PolarHBondContact O-OH 2.89Å; I31-Y50 VanDerWaalsContact O-OH 3.08Å; I34-Y50 WeakPolarHBondContact CB-OH 3.45Å; I34-Y50 HydrophobicContact CG2-CE2 4.05Å; Y35-Y50 AromaticContact CD2-CD1 3.59Å; Y35-Y50 HydrophobicContact CD2-CD1 3.59Å; Y35-Y50 AromaticContact CD2-CE1 3.94Å; Y35-Y50 HydrophobicContact CD2-CE1 3.94Å; Y35-Y50 HydrophobicContact CD2-CG 4.48Å; Y35-Y50 HydrophobicContact CE2-CD1 4.41Å; Y35-Y50 HydrophobicContact CG-CD1 4.49Å; Y35-Y50 HydrophobicContact CG-CE1 4.42Å; W42-Y50 HydrophobicContact CH2-CD1 4.5Å; W42-Y50 AromaticContact CH2-CD2 3.6Å; W42-Y50 HydrophobicContact CH2-CD2 3.6Å; W42-Y50 AromaticContact CH2-CE2 3.93Å; W42-Y50 HydrophobicContact CH2-CE2 3.93Å; W42-Y50 AromaticContact CH2-CG 3.91Å; W42-Y50 HydrophobicContact CH2-CG 3.91Å; W42-Y50 HydrophobicContact CZ3-CD1 4.08Å; W42-Y50 AromaticContact CZ3-CD2 3.86Å; W42-Y50 HydrophobicContact CZ3-CD2 3.86Å; W42-Y50 HydrophobicContact CZ3-CE2 4.44Å; W42-Y50 AromaticContact CZ3-CG 3.65Å; W42-Y50 HydrophobicContact CZ3-CG 3.65Å; Y46-Y50 VanDerWaalsContact O-CB 3.28Å; Y46-Y50 WeakPolarHBondContact O-CB 3.47Å; Y46-Y50 PolarHBondContact O-N 3.33Å; H48-Y50 VanDerWaalsContact C-N 3.32Å; H48-Y50 PolarHBondContact O-N 2.63Å; Y50-F52 PolarHBondContact O-N 3.04Å; Y50-T53 PolarHBondContact O-N 3.32Å; Y50-C54 WeakPolarHBondContact O-CB 3.27Å; Y50-C54 PolarHBondContact O-N 3.04Å; Y50-C54 PolarHBondContact O-SG 2.84Å
51L98.6Very high97.2Very high0 Ų057.3 Ų57.30%029%0.286CS..Hα-helixtrans-62.8-45.2-178.9-66169.6000111.3Y35 R47 H48 G55 A166 P171 F185 F188 I189 I286Y35-L51 HydrophobicContact CD2-CD2 3.96Å; Y35-L51 HydrophobicContact CD2-CG 4.26Å; Y35-L51 HydrophobicContact CE2-CD1 4.01Å; Y35-L51 HydrophobicContact CE2-CD2 3.98Å; Y35-L51 HydrophobicContact CE2-CG 3.88Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.45Å; R47-L51 PolarHBondContact O-N 3.37Å; H48-L51 PolarHBondContact O-N 3.2Å; L51-G55 PolarHBondContact O-N 3.19Å; L51-A166 HydrophobicContact CB-CB 4.35Å; L51-P171 HydrophobicContact CD2-CG 4.17Å; L51-P171 WeakPolarHBondContact O-CD 3.44Å; L51-F185 HydrophobicContact CD1-CE2 4.04Å; L51-F185 HydrophobicContact CD1-CZ 4.02Å; L51-F188 HydrophobicContact CD1-CE1 3.77Å; L51-F188 HydrophobicContact CD1-CZ 4.36Å; L51-I189 HydrophobicContact CD1-CD1 3.61Å; L51-I286 HydrophobicContact CD2-CD1 3.56Å
52F98.7Very high97.4Very high36 Ų3653.4 Ų53.416%0.15826%0.257CS..Hα-helixtrans-61.1-51.5177.8175.1-126.1000111.5H48 L49 Y50 C54 G55 V56 F71 L162 L165 A166 F169H48-F52 WeakPolarHBondContact O-CB 3.43Å; H48-F52 PolarHBondContact O-N 3.19Å; L49-F52 PolarHBondContact O-N 3.1Å; Y50-F52 PolarHBondContact O-N 3.04Å; F52-C54 PolarHBondContact O-N 2.99Å; F52-G55 PolarHBondContact O-N 3.27Å; F52-V56 HydrophobicContact CD2-CG2 3.69Å; F52-V56 HydrophobicContact CE1-CG2 4.38Å; F52-V56 HydrophobicContact CE2-CG2 3.25Å; F52-V56 HydrophobicContact CG-CG2 4.42Å; F52-V56 HydrophobicContact CZ-CG2 3.65Å; F52-V56 WeakPolarHBondContact O-CB 3.38Å; F52-V56 WeakPolarHBondContact O-CG2 3.25Å; F52-V56 PolarHBondContact O-N 3.19Å; F52-F71 HydrophobicContact CE2-CE1 4.16Å; F52-F71 HydrophobicContact CE2-CZ 4.26Å; F52-F71 HydrophobicContact CZ-CE1 4.03Å; F52-F71 HydrophobicContact CZ-CZ 4.06Å; F52-L162 HydrophobicContact CD1-CD1 4.32Å; F52-L165 HydrophobicContact CD2-CB 3.72Å; F52-L165 HydrophobicContact CE1-CD1 4.26Å; F52-L165 HydrophobicContact CE2-CB 3.82Å; F52-L165 HydrophobicContact CE2-CD1 4.28Å; F52-L165 HydrophobicContact CE2-CD2 4.07Å; F52-L165 HydrophobicContact CE2-CG 4.28Å; F52-L165 HydrophobicContact CG-CB 4.13Å; F52-L165 HydrophobicContact CZ-CB 4.32Å; F52-L165 HydrophobicContact CZ-CD1 3.99Å; F52-L165 HydrophobicContact CZ-CD2 4.4Å; F52-L165 HydrophobicContact CZ-CG 4.48Å; F52-A166 HydrophobicContact CB-CB 4.3Å; F52-F169 HydrophobicContact CD2-CB 4.11Å; F52-F169 AromaticContact CD2-CD2 3.87Å; F52-F169 HydrophobicContact CD2-CD2 3.87Å; F52-F169 HydrophobicContact CD2-CG 4.22Å; F52-F169 AromaticContact CE2-CD2 3.72Å; F52-F169 HydrophobicContact CE2-CD2 3.72Å; F52-F169 HydrophobicContact CE2-CE2 4.07Å; F52-F169 HydrophobicContact CE2-CG 4.34Å
53T98.8Very high97.5Very high63 Ų6351.7 Ų51.739%0.38725%0.251SS..Hα-helixtrans-60-47.1-179.8-62.10000111.6L49 Y50 G55 V56 L57L49-T53 VanDerWaalsContact O-CB 3.28Å; L49-T53 WeakPolarHBondContact O-CB 3.33Å; L49-T53 PolarHBondContact O-N 2.78Å; L49-T53 PolarHBondContact O-OG1 3.15Å; Y50-T53 PolarHBondContact O-N 3.32Å; T53-G55 VanDerWaalsContact C-N 3.34Å; T53-G55 PolarHBondContact O-N 3Å; T53-V56 PolarHBondContact O-N 3.4Å; T53-L57 HydrophobicContact CG2-CD1 4.09Å; T53-L57 HydrophobicContact CG2-CG 4.47Å; T53-L57 WeakPolarHBondContact O-CB 3.29Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 3.18Å; T53-L57 PolarHBondContact O-N 2.67Å
54C98.7Very high97.5Very high20 Ų2044 Ų4414%0.13523%0.232CC..Hα-helixtrans-61-42.5176.5-74.80000112.2I31 Y50 F52 L57 L58 P171I31-C54 HydrophobicContact CD1-CB 4.06Å; I31-C54 HydrophobicContact CG1-CB 4.43Å; I31-C54 HydrophobicContact CG2-CB 4.03Å; Y50-C54 WeakPolarHBondContact O-CB 3.27Å; Y50-C54 PolarHBondContact O-N 3.04Å; Y50-C54 PolarHBondContact O-SG 2.84Å; F52-C54 PolarHBondContact O-N 2.99Å; C54-L57 PolarHBondContact O-N 2.75Å; C54-L58 WeakPolarHBondContact O-CG 3.34Å; C54-L58 PolarHBondContact O-N 2.89Å; C54-P171 HydrophobicContact CB-CB 4.2Å; C54-P171 HydrophobicContact CB-CG 4.13Å
55G98.6Very high97.6Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-63.5-43.5176.900000113.6L51 F52 T53 L58 F59 F169L51-G55 PolarHBondContact O-N 3.19Å; F52-G55 PolarHBondContact O-N 3.27Å; T53-G55 VanDerWaalsContact C-N 3.34Å; T53-G55 PolarHBondContact O-N 3Å; G55-L58 PolarHBondContact O-N 3.06Å; G55-F59 WeakPolarHBondContact O-CB 3.2Å; G55-F59 PolarHBondContact O-N 3.39Å; G55-F169 VanDerWaalsContact CA-O 3.24Å; G55-F169 WeakPolarHBondContact CA-O 3.36Å
56V98.7Very high97.6Very high26 Ų2648.8 Ų48.816%0.15824%0.24CC..Hα-helixtrans-62-46.1175.5167.40000110.8F52 T53 L58 F59 L60 I67 F169F52-V56 HydrophobicContact CD2-CG2 3.69Å; F52-V56 HydrophobicContact CE1-CG2 4.38Å; F52-V56 HydrophobicContact CE2-CG2 3.25Å; F52-V56 HydrophobicContact CG-CG2 4.42Å; F52-V56 HydrophobicContact CZ-CG2 3.65Å; F52-V56 WeakPolarHBondContact O-CB 3.38Å; F52-V56 WeakPolarHBondContact O-CG2 3.25Å; F52-V56 PolarHBondContact O-N 3.19Å; T53-V56 PolarHBondContact O-N 3.4Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 2.75Å; V56-F59 PolarHBondContact O-N 3.2Å; V56-L60 HydrophobicContact CG1-CD1 3.7Å; V56-L60 HydrophobicContact CG1-CG 4.14Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.22Å; V56-L60 PolarHBondContact O-N 2.85Å; V56-I67 HydrophobicContact CB-CD1 4.32Å; V56-I67 HydrophobicContact CG1-CD1 3.88Å; V56-I67 HydrophobicContact CG2-CD1 4.18Å; V56-F169 HydrophobicContact CG2-CD1 4.38Å; V56-F169 HydrophobicContact CG2-CG 4.41Å
57L98.4Very high97.7Very high110 Ų11043 Ų4358%0.57622%0.218SC*.Hα-helixtrans-60.5-42.5177.7-70.9172.9000111.9T53 C54 W61T53-L57 HydrophobicContact CG2-CD1 4.09Å; T53-L57 HydrophobicContact CG2-CG 4.47Å; T53-L57 WeakPolarHBondContact O-CB 3.29Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 3.18Å; T53-L57 PolarHBondContact O-N 2.67Å; C54-L57 PolarHBondContact O-N 2.75Å; L57-W61 WeakPolarHBondContact O-CB 3.42Å; L57-W61 PolarHBondContact O-N 3Å; L57-W61 VanDerWaalsContact O-N 3.08Å
58L98Very high97.7Very high11 Ų1144.8 Ų44.86%0.05823%0.234CC..Hα-helixtrans-65-42.5174.4-70.4179.6000111.6M27 I31 C54 G55 V56 W61 N62 P171 F174M27-L58 HydrophobicContact CB-CD2 3.93Å; M27-L58 HydrophobicContact CG-CD2 4.46Å; I31-L58 HydrophobicContact CD1-CD1 3.84Å; I31-L58 HydrophobicContact CD1-CG 4.34Å; C54-L58 WeakPolarHBondContact O-CG 3.34Å; C54-L58 PolarHBondContact O-N 2.89Å; G55-L58 PolarHBondContact O-N 3.06Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 2.75Å; L58-W61 PolarHBondContact O-N 2.89Å; L58-N62 PolarHBondContact O-N 3.37Å; L58-N62 VanDerWaalsContact O-N 3.17Å; L58-N62 PolarHBondContact O-ND2 2.87Å; L58-P171 HydrophobicContact CD1-CB 3.93Å; L58-F174 HydrophobicContact CB-CE1 4.06Å; L58-F174 HydrophobicContact CB-CZ 4.03Å; L58-F174 HydrophobicContact CD1-CE1 4.39Å
59F98.1Very high97.7Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-61.5-52.3177.8-168.6-67.8000110.9G55 V56 W61 N62 F63 I67 M70 W118 P121 F169 F174G55-F59 WeakPolarHBondContact O-CB 3.2Å; G55-F59 PolarHBondContact O-N 3.39Å; V56-F59 PolarHBondContact O-N 3.2Å; F59-W61 PolarHBondContact O-N 2.92Å; F59-N62 PolarHBondContact O-N 3.38Å; F59-F63 HydrophobicContact CD1-CB 4.06Å; F59-F63 HydrophobicContact CD1-CD2 4.05Å; F59-F63 HydrophobicContact CD2-CD2 4.13Å; F59-F63 HydrophobicContact CE1-CB 3.52Å; F59-F63 AromaticContact CE1-CD2 3.85Å; F59-F63 HydrophobicContact CE1-CD2 3.85Å; F59-F63 HydrophobicContact CE1-CG 4.12Å; F59-F63 AromaticContact CE2-CD2 3.94Å; F59-F63 HydrophobicContact CE2-CD2 3.94Å; F59-F63 HydrophobicContact CG-CD2 4.17Å; F59-F63 HydrophobicContact CZ-CB 4.05Å; F59-F63 AromaticContact CZ-CD2 3.81Å; F59-F63 HydrophobicContact CZ-CD2 3.81Å; F59-F63 HydrophobicContact CZ-CG 4.25Å; F59-F63 PolarHBondContact O-N 3.25Å; F59-I67 HydrophobicContact CB-CD1 4.05Å; F59-I67 HydrophobicContact CB-CG1 4.44Å; F59-I67 HydrophobicContact CD1-CB 3.44Å; F59-I67 VanDerWaalsContact CD1-CB 3.44Å; F59-I67 HydrophobicContact CD1-CD1 3.95Å; F59-I67 HydrophobicContact CD1-CG1 3.56Å; F59-I67 HydrophobicContact CD2-CG1 4.5Å; F59-I67 HydrophobicContact CE1-CB 3.52Å; F59-I67 HydrophobicContact CE1-CG1 3.95Å; F59-I67 HydrophobicContact CG-CB 4.29Å; F59-I67 HydrophobicContact CG-CD1 4.06Å; F59-I67 HydrophobicContact CG-CG1 3.9Å; F59-I67 HydrophobicContact CZ-CB 4.39Å; F59-M70 HydrophobicContact CD2-CE 4.45Å; F59-M70 HydrophobicContact CD2-CG 3.98Å; F59-M70 HydrophobicContact CE2-CE 4.06Å; F59-M70 HydrophobicContact CE2-CG 3.24Å; F59-M70 HydrophobicContact CE2-SD 3.72Å; F59-M70 HydrophobicContact CZ-CG 3.58Å; F59-M70 HydrophobicContact CZ-SD 4.32Å; F59-W118 HydrophobicContact CZ-CB 4.07Å; F59-P121 HydrophobicContact CD2-CG 4.22Å; F59-P121 HydrophobicContact CE2-CB 4.11Å; F59-P121 HydrophobicContact CE2-CG 3.49Å; F59-P121 VanDerWaalsContact CE2-CG 3.49Å; F59-P121 HydrophobicContact CZ-CG 4.22Å; F59-F169 HydrophobicContact CB-CE1 4.24Å; F59-F169 AromaticContact CD2-CE1 3.95Å; F59-F169 HydrophobicContact CD2-CE1 3.95Å; F59-F169 HydrophobicContact CG-CE1 4.2Å; F59-F174 HydrophobicContact CB-CE2 4.04Å; F59-F174 HydrophobicContact CB-CZ 4.08Å; F59-F174 HydrophobicContact CD2-CD2 4.29Å; F59-F174 AromaticContact CD2-CE2 3.64Å; F59-F174 HydrophobicContact CD2-CE2 3.64Å; F59-F174 HydrophobicContact CG-CE2 4.3Å
60L97.5Very high97.7Very high68 Ų6842.3 Ų42.336%0.35622%0.22SC..Hα-helixtrans-56.4-38.9180-72.7172.8000111.4V56 G64 I67V56-L60 HydrophobicContact CG1-CD1 3.7Å; V56-L60 HydrophobicContact CG1-CG 4.14Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.22Å; V56-L60 PolarHBondContact O-N 2.85Å; L60-G64 WeakPolarHBondContact CD2-O 3.16Å; L60-G64 VanDerWaalsContact O-CA 3.23Å; L60-G64 WeakPolarHBondContact O-CA 3.11Å; L60-G64 PolarHBondContact O-N 3.23Å; L60-I67 HydrophobicContact CD2-CB 4.36Å; L60-I67 HydrophobicContact CD2-CD1 4.29Å; L60-I67 HydrophobicContact CD2-CG2 3.86Å; L60-I67 HydrophobicContact CG-CD1 4.24Å
61W95.9Very high97.7Very high55 Ų5542.8 Ų42.821%0.20822%0.223CC..Hα-helixtrans-68.7-34.2177.7-176.334.2000113.3M1 E2 A5 R20 L23 L57 L58 F59M1-W61 HydrophobicContact CB-CH2 4.11Å; M1-W61 HydrophobicContact CB-CZ2 3.65Å; M1-W61 HydrophobicContact CE-CH2 3.42Å; M1-W61 VanDerWaalsContact CE-CH2 3.42Å; M1-W61 HydrophobicContact CE-CZ2 4.13Å; M1-W61 HydrophobicContact CE-CZ3 3.97Å; E2-W61 PolarHBondContact OE2-NE1 2.83Å; A5-W61 HydrophobicContact CB-CZ2 4.48Å; R20-W61 HydrophobicContact CG-CZ2 4.3Å; L23-W61 HydrophobicContact CB-CH2 3.59Å; L23-W61 HydrophobicContact CB-CZ3 3.99Å; L23-W61 HydrophobicContact CD1-CH2 3.84Å; L23-W61 HydrophobicContact CD1-CZ2 4.36Å; L23-W61 HydrophobicContact CG-CH2 4.38Å; L57-W61 WeakPolarHBondContact O-CB 3.42Å; L57-W61 PolarHBondContact O-N 3Å; L57-W61 VanDerWaalsContact O-N 3.08Å; L58-W61 PolarHBondContact O-N 2.89Å; F59-W61 PolarHBondContact O-N 2.92Å
62N95.3Very high97.7Very high15 Ų1545.2 Ų45.28%0.0824%0.237CC..Hα-helixtrans-80.4-42.6178.3-74.9-87.3000112.8R20 L21 S24 L58 F59R20-N62 VanDerWaalsContact C-OD1 3.23Å; R20-N62 PolarHBondContact O-OD1 3.29Å; L21-N62 VanDerWaalsContact CA-OD1 3.3Å; L21-N62 WeakPolarHBondContact CA-OD1 3.34Å; L21-N62 PolarHBondContact N-OD1 3.44Å; L21-N62 VanDerWaalsContact N-OD1 3.16Å; S24-N62 PolarHBondContact OG-ND2 3Å; L58-N62 PolarHBondContact O-N 3.37Å; L58-N62 VanDerWaalsContact O-N 3.17Å; L58-N62 PolarHBondContact O-ND2 2.87Å; F59-N62 PolarHBondContact O-N 3.38Å
63F95.5Very high97.7Very high21 Ų2143.5 Ų43.59%0.09223%0.23CC..Hα-helixtrans-130.81.3-162.7-49.5-64.6000114.1F59 F65 D66 I116 P121 L175F59-F63 HydrophobicContact CD1-CB 4.06Å; F59-F63 HydrophobicContact CD1-CD2 4.05Å; F59-F63 HydrophobicContact CD2-CD2 4.13Å; F59-F63 HydrophobicContact CE1-CB 3.52Å; F59-F63 AromaticContact CE1-CD2 3.85Å; F59-F63 HydrophobicContact CE1-CD2 3.85Å; F59-F63 HydrophobicContact CE1-CG 4.12Å; F59-F63 AromaticContact CE2-CD2 3.94Å; F59-F63 HydrophobicContact CE2-CD2 3.94Å; F59-F63 HydrophobicContact CG-CD2 4.17Å; F59-F63 HydrophobicContact CZ-CB 4.05Å; F59-F63 AromaticContact CZ-CD2 3.81Å; F59-F63 HydrophobicContact CZ-CD2 3.81Å; F59-F63 HydrophobicContact CZ-CG 4.25Å; F59-F63 PolarHBondContact O-N 3.25Å; F63-F65 PolarHBondContact O-N 3.03Å; F63-D66 HydrophobicContact CB-CB 4.31Å; F63-D66 WeakPolarHBondContact O-CB 3.49Å; F63-D66 PolarHBondContact O-N 3.32Å; F63-I116 HydrophobicContact CE1-CG2 4.07Å; F63-I116 HydrophobicContact CZ-CG2 4.36Å; F63-P121 HydrophobicContact CD2-CG 4.14Å; F63-P121 HydrophobicContact CE2-CG 3.66Å; F63-P121 HydrophobicContact CZ-CG 4.23Å; F63-L175 HydrophobicContact CE2-CD2 3.71Å; F63-L175 HydrophobicContact CZ-CD2 4.28Å
64G95.2Very high97.7Very high30 Ų3040.5 Ų40.531%0.30921%0.212SC..G310 helixtrans57.1-135.3177.200000113.5L60 D66 I67L60-G64 WeakPolarHBondContact CD2-O 3.16Å; L60-G64 VanDerWaalsContact O-CA 3.23Å; L60-G64 WeakPolarHBondContact O-CA 3.11Å; L60-G64 PolarHBondContact O-N 3.23Å; G64-D66 PolarHBondContact O-N 3.02Å; G64-I67 PolarHBondContact O-N 3.02Å
65F96.9Very high97.7Very high187 Ų18744 Ų4482%0.8223%0.225SC*.G310 helixtrans-71.8-7-175.3-68.9-67.8000114.8F63 I67 V68F63-F65 PolarHBondContact O-N 3.03Å; F65-I67 PolarHBondContact O-N 3.12Å; F65-V68 WeakPolarHBondContact O-CG1 3.32Å; F65-V68 PolarHBondContact O-N 3Å; F65-V68 VanDerWaalsContact O-N 3.09Å
66D97.3Very high97.7Very high64 Ų6446.1 Ų46.134%0.34224%0.238SC..G310 helixtrans-60.8-8.8171.3-66.7-14.6000112.4F63 G64 V68 H69 W118F63-D66 HydrophobicContact CB-CB 4.31Å; F63-D66 WeakPolarHBondContact O-CB 3.49Å; F63-D66 PolarHBondContact O-N 3.32Å; G64-D66 PolarHBondContact O-N 3.02Å; D66-V68 PolarHBondContact O-N 3.38Å; D66-V68 VanDerWaalsContact O-N 3.1Å; D66-H69 WeakPolarHBondContact O-CB 3.31Å; D66-H69 PolarHBondContact O-CD2 3.38Å; D66-H69 VanDerWaalsContact O-CD2 3.28Å; D66-H69 PolarHBondContact O-N 2.95Å; D66-W118 HydrophobicContact CB-CB 3.6Å; D66-W118 HydrophobicContact CB-CG 3.82Å
67I98.3Very high97.7Very high15 Ų1544.9 Ų44.98%0.07723%0.23CC..Hα-helixtrans-56.2-24.6171-160.1171.4000112.4V56 F59 L60 G64 F65 H69 M70 F71 F169V56-I67 HydrophobicContact CB-CD1 4.32Å; V56-I67 HydrophobicContact CG1-CD1 3.88Å; V56-I67 HydrophobicContact CG2-CD1 4.18Å; F59-I67 HydrophobicContact CB-CD1 4.05Å; F59-I67 HydrophobicContact CB-CG1 4.44Å; F59-I67 HydrophobicContact CD1-CB 3.44Å; F59-I67 VanDerWaalsContact CD1-CB 3.44Å; F59-I67 HydrophobicContact CD1-CD1 3.95Å; F59-I67 HydrophobicContact CD1-CG1 3.56Å; F59-I67 HydrophobicContact CD2-CG1 4.5Å; F59-I67 HydrophobicContact CE1-CB 3.52Å; F59-I67 HydrophobicContact CE1-CG1 3.95Å; F59-I67 HydrophobicContact CG-CB 4.29Å; F59-I67 HydrophobicContact CG-CD1 4.06Å; F59-I67 HydrophobicContact CG-CG1 3.9Å; F59-I67 HydrophobicContact CZ-CB 4.39Å; L60-I67 HydrophobicContact CD2-CB 4.36Å; L60-I67 HydrophobicContact CD2-CD1 4.29Å; L60-I67 HydrophobicContact CD2-CG2 3.86Å; L60-I67 HydrophobicContact CG-CD1 4.24Å; G64-I67 PolarHBondContact O-N 3.02Å; F65-I67 PolarHBondContact O-N 3.12Å; I67-H69 PolarHBondContact O-N 3Å; I67-M70 WeakPolarHBondContact O-CB 3.45Å; I67-M70 PolarHBondContact O-N 3.09Å; I67-F71 HydrophobicContact CD1-CE2 3.9Å; I67-F71 HydrophobicContact CD1-CZ 4.41Å; I67-F71 HydrophobicContact CG1-CD2 4.18Å; I67-F71 HydrophobicContact CG1-CE2 3.76Å; I67-F71 HydrophobicContact CG2-CD2 4.47Å; I67-F71 HydrophobicContact CG2-CE2 4.21Å; I67-F71 WeakPolarHBondContact O-CD2 3.37Å; I67-F71 PolarHBondContact O-N 2.82Å; I67-F169 HydrophobicContact CD1-CE1 3.92Å; I67-F169 HydrophobicContact CD1-CZ 4.11Å; I67-F169 HydrophobicContact CG1-CE1 3.95Å; I67-F169 HydrophobicContact CG1-CZ 3.92Å
68V98.4Very high97.7Very high80 Ų8040.2 Ų40.249%0.48521%0.206SC..Hα-helixtrans-52.8-38.3174.169.80000111.6F65 D66 M70 F71 V72F65-V68 WeakPolarHBondContact O-CG1 3.32Å; F65-V68 PolarHBondContact O-N 3Å; F65-V68 VanDerWaalsContact O-N 3.09Å; D66-V68 PolarHBondContact O-N 3.38Å; D66-V68 VanDerWaalsContact O-N 3.1Å; V68-M70 VanDerWaalsContact C-N 3.32Å; V68-M70 PolarHBondContact O-N 2.9Å; V68-F71 PolarHBondContact O-N 3.03Å; V68-V72 HydrophobicContact CG2-CG2 4.46Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.12Å
69H98.4Very high97.7Very high45 Ų4545.9 Ų45.921%0.20823%0.23CC..Hα-helixtrans-60.9-41.2178.1-66.8-61.1000111.9D66 I67 V72 G73 Y101 W118 Y122D66-H69 WeakPolarHBondContact O-CB 3.31Å; D66-H69 PolarHBondContact O-CD2 3.38Å; D66-H69 VanDerWaalsContact O-CD2 3.28Å; D66-H69 PolarHBondContact O-N 2.95Å; I67-H69 PolarHBondContact O-N 3Å; H69-V72 PolarHBondContact O-N 2.91Å; H69-G73 PolarHBondContact O-N 2.95Å; H69-Y101 HydrophobicContact CB-CE1 3.93Å; H69-Y101 AromaticContact ND1-CE1 3.63Å; H69-Y101 AromaticContact ND1-CZ 3.59Å; H69-Y101 PolarHBondContact ND1-OH 3.01Å; H69-W118 HydrophobicContact CB-CD2 3.88Å; H69-W118 HydrophobicContact CB-CE3 3.45Å; H69-W118 VanDerWaalsContact CB-CE3 3.45Å; H69-W118 HydrophobicContact CB-CH2 4.01Å; H69-W118 HydrophobicContact CB-CZ2 4.36Å; H69-W118 HydrophobicContact CB-CZ3 3.54Å; H69-W118 AromaticContact CD2-CD1 3.83Å; H69-W118 AromaticContact CD2-CD2 3.51Å; H69-W118 AromaticContact CD2-CE2 3.35Å; H69-W118 AromaticContact CD2-CG 3.84Å; H69-W118 AromaticContact CD2-CZ2 3.78Å; H69-W118 AromaticContact CD2-NE1 3.54Å; H69-W118 AromaticContact CE1-CZ2 3.92Å; H69-W118 AromaticContact CG-CD2 3.76Å; H69-W118 AromaticContact CG-CE2 3.71Å; H69-W118 AromaticContact CG-CE3 3.81Å; H69-W118 AromaticContact CG-CH2 3.83Å; H69-W118 AromaticContact CG-CZ2 3.74Å; H69-W118 AromaticContact CG-CZ3 3.86Å; H69-W118 AromaticContact ND1-CH2 3.93Å; H69-W118 AromaticContact ND1-CZ2 3.82Å; H69-W118 AromaticContact NE2-CE2 3.7Å; H69-W118 AromaticContact NE2-CZ2 3.9Å; H69-W118 AromaticContact NE2-NE1 3.66Å; H69-Y122 WeakPolarHBondContact O-CE2 3.41Å
70M98.5Very high97.7Very high1 Ų146.6 Ų46.61%0.00524%0.235CC..Hα-helixtrans-63.2-44.4176.8-58.2-65.5-79.900111.2F59 I67 V68 G73 I74 P121 Y122 L125 F169F59-M70 HydrophobicContact CD2-CE 4.45Å; F59-M70 HydrophobicContact CD2-CG 3.98Å; F59-M70 HydrophobicContact CE2-CE 4.06Å; F59-M70 HydrophobicContact CE2-CG 3.24Å; F59-M70 HydrophobicContact CE2-SD 3.72Å; F59-M70 HydrophobicContact CZ-CG 3.58Å; F59-M70 HydrophobicContact CZ-SD 4.32Å; I67-M70 WeakPolarHBondContact O-CB 3.45Å; I67-M70 PolarHBondContact O-N 3.09Å; V68-M70 VanDerWaalsContact C-N 3.32Å; V68-M70 PolarHBondContact O-N 2.9Å; M70-G73 PolarHBondContact O-N 3.14Å; M70-I74 WeakPolarHBondContact O-CD1 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.24Å; M70-I74 WeakPolarHBondContact O-CG1 3.27Å; M70-I74 PolarHBondContact O-N 3.27Å; M70-P121 HydrophobicContact CE-CB 4.1Å; M70-Y122 HydrophobicContact SD-CD2 3.74Å; M70-Y122 HydrophobicContact SD-CG 4.36Å; M70-L125 HydrophobicContact CB-CD2 4.15Å; M70-L125 HydrophobicContact CE-CB 3.87Å; M70-L125 HydrophobicContact CE-CD2 3.78Å; M70-L125 HydrophobicContact CE-CG 4.27Å; M70-L125 HydrophobicContact SD-CB 4.38Å; M70-L125 HydrophobicContact SD-CD2 3.74Å; M70-F169 HydrophobicContact CB-CE1 4.21Å; M70-F169 HydrophobicContact CB-CE2 4.4Å; M70-F169 HydrophobicContact CB-CZ 3.59Å; M70-F169 HydrophobicContact CG-CE1 4.3Å; M70-F169 HydrophobicContact CG-CZ 4.17Å
71F98.8Very high97.7Very high51 Ų5143.5 Ų43.522%0.22422%0.219CC..Hα-helixtrans-65.5-41.9178.4-73-63.6000112.2F52 I67 V68 G73 I74 F75 L165 F169F52-F71 HydrophobicContact CE2-CE1 4.16Å; F52-F71 HydrophobicContact CE2-CZ 4.26Å; F52-F71 HydrophobicContact CZ-CE1 4.03Å; F52-F71 HydrophobicContact CZ-CZ 4.06Å; I67-F71 HydrophobicContact CD1-CE2 3.9Å; I67-F71 HydrophobicContact CD1-CZ 4.41Å; I67-F71 HydrophobicContact CG1-CD2 4.18Å; I67-F71 HydrophobicContact CG1-CE2 3.76Å; I67-F71 HydrophobicContact CG2-CD2 4.47Å; I67-F71 HydrophobicContact CG2-CE2 4.21Å; I67-F71 WeakPolarHBondContact O-CD2 3.37Å; I67-F71 PolarHBondContact O-N 2.82Å; V68-F71 PolarHBondContact O-N 3.03Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.07Å; F71-I74 PolarHBondContact O-N 3.42Å; F71-F75 HydrophobicContact CB-CD2 3.99Å; F71-F75 HydrophobicContact CB-CE2 4.08Å; F71-F75 HydrophobicContact CD1-CD2 4.23Å; F71-F75 AromaticContact CD1-CE2 3.56Å; F71-F75 HydrophobicContact CD1-CE2 3.56Å; F71-F75 HydrophobicContact CD1-CZ 4.38Å; F71-F75 HydrophobicContact CE1-CE2 4.4Å; F71-F75 HydrophobicContact CG-CE2 4.19Å; F71-F75 WeakPolarHBondContact O-CB 3.34Å; F71-F75 WeakPolarHBondContact O-CD2 3.43Å; F71-F75 PolarHBondContact O-N 3.16Å; F71-L165 HydrophobicContact CD1-CD2 4.03Å; F71-L165 HydrophobicContact CE1-CD2 3.76Å; F71-F169 HydrophobicContact CE1-CE2 4.12Å; F71-F169 HydrophobicContact CZ-CE2 4.35Å; F71-F169 HydrophobicContact CZ-CZ 4.38Å
72V98.7Very high97.7Very high51 Ų5148.5 Ų48.531%0.30924%0.239SC..Hα-helixtrans-57-48.5172.9169.80000110.1V68 H69 I74 T76 F97 Y101V68-V72 HydrophobicContact CG2-CG2 4.46Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.12Å; H69-V72 PolarHBondContact O-N 2.91Å; V72-I74 PolarHBondContact O-N 3.36Å; V72-T76 WeakPolarHBondContact O-CB 3.42Å; V72-T76 PolarHBondContact O-N 2.88Å; V72-T76 PolarHBondContact O-OG1 3.38Å; V72-F97 HydrophobicContact CG1-CZ 4.07Å; V72-Y101 HydrophobicContact CG1-CE2 3.82Å
73G98.6Very high97.8Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-53.7-50.1175.200000113.6H69 M70 F71 T77 Y122H69-G73 PolarHBondContact O-N 2.95Å; M70-G73 PolarHBondContact O-N 3.14Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.07Å; G73-T77 VanDerWaalsContact O-CB 3.3Å; G73-T77 WeakPolarHBondContact O-CB 3.43Å; G73-T77 PolarHBondContact O-N 2.91Å; G73-T77 PolarHBondContact O-OG1 3.2Å; G73-Y122 WeakPolarHBondContact CA-OH 3.43Å
74I98.8Very high97.8Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-68.9-55.9-176.4-65.9160.5000111.4M70 F71 V72 T77 L78 L125 M129 T164 L165 S168 F169M70-I74 WeakPolarHBondContact O-CD1 3.34Å; M70-I74 VanDerWaalsContact O-CG1 3.24Å; M70-I74 WeakPolarHBondContact O-CG1 3.27Å; M70-I74 PolarHBondContact O-N 3.27Å; F71-I74 PolarHBondContact O-N 3.42Å; V72-I74 PolarHBondContact O-N 3.36Å; I74-T77 PolarHBondContact O-N 3.44Å; I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.43Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3Å; I74-L125 HydrophobicContact CD1-CD1 4.11Å; I74-L125 HydrophobicContact CD1-CD2 4.44Å; I74-L125 HydrophobicContact CG1-CD1 3.72Å; I74-L125 HydrophobicContact CG1-CD2 4.07Å; I74-L125 HydrophobicContact CG1-CG 4.46Å; I74-M129 HydrophobicContact CG1-SD 4.23Å; I74-T164 HydrophobicContact CG2-CG2 4.13Å; I74-L165 HydrophobicContact CD1-CD2 4.15Å; I74-L165 HydrophobicContact CG2-CD2 4.23Å; I74-S168 VanDerWaalsContact CD1-CB 3.5Å; I74-F169 HydrophobicContact CD1-CD2 4.25Å; I74-F169 HydrophobicContact CD1-CE2 3.65Å; I74-F169 HydrophobicContact CD1-CZ 4.48Å
75F98.8Very high97.4Very high93 Ų9358 Ų5841%0.40828%0.281SS..Hα-helixtrans-69-39.6-172.7-72.9-62.1000112.1F71 L78 F79 V161 L165F71-F75 HydrophobicContact CB-CD2 3.99Å; F71-F75 HydrophobicContact CB-CE2 4.08Å; F71-F75 HydrophobicContact CD1-CD2 4.23Å; F71-F75 AromaticContact CD1-CE2 3.56Å; F71-F75 HydrophobicContact CD1-CE2 3.56Å; F71-F75 HydrophobicContact CD1-CZ 4.38Å; F71-F75 HydrophobicContact CE1-CE2 4.4Å; F71-F75 HydrophobicContact CG-CE2 4.19Å; F71-F75 WeakPolarHBondContact O-CB 3.34Å; F71-F75 WeakPolarHBondContact O-CD2 3.43Å; F71-F75 PolarHBondContact O-N 3.16Å; F75-L78 PolarHBondContact O-N 3.46Å; F75-F79 WeakPolarHBondContact O-CB 3.2Å; F75-F79 PolarHBondContact O-N 3.47Å; F75-V161 HydrophobicContact CE1-CG1 3.84Å; F75-L165 HydrophobicContact CZ-CD2 4.43Å
76T98.6Very high97.2Very high46 Ų4652.3 Ų52.328%0.28226%0.256SS..Hα-helixtrans-64-42.7175.7-60.20000111.1V72 V80 F93 F97V72-T76 WeakPolarHBondContact O-CB 3.42Å; V72-T76 PolarHBondContact O-N 2.88Å; V72-T76 PolarHBondContact O-OG1 3.38Å; T76-V80 WeakPolarHBondContact O-CG2 3.44Å; T76-V80 PolarHBondContact O-N 3.4Å; T76-V80 VanDerWaalsContact O-N 3.14Å; T76-F93 HydrophobicContact CG2-CE1 3.87Å; T76-F93 HydrophobicContact CG2-CZ 3.61Å; T76-F97 HydrophobicContact CG2-CD1 4.19Å; T76-F97 HydrophobicContact CG2-CD2 4.34Å; T76-F97 HydrophobicContact CG2-CE1 3.75Å; T76-F97 HydrophobicContact CG2-CE2 3.92Å; T76-F97 HydrophobicContact CG2-CG 4.45Å; T76-F97 HydrophobicContact CG2-CZ 3.6Å
77T98.5Very high97Very high0 Ų050.5 Ų50.50%025%0.249CC..Hα-helixtrans-62.7-48.9175.4-57.90000110.9G73 I74 F79 V80 N81 A94 N98 M129G73-T77 VanDerWaalsContact O-CB 3.3Å; G73-T77 WeakPolarHBondContact O-CB 3.43Å; G73-T77 PolarHBondContact O-N 2.91Å; G73-T77 PolarHBondContact O-OG1 3.2Å; I74-T77 PolarHBondContact O-N 3.44Å; T77-F79 PolarHBondContact O-N 2.88Å; T77-V80 PolarHBondContact O-N 3.29Å; T77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; T77-N81 PolarHBondContact O-N 3.3Å; T77-N81 PolarHBondContact O-ND2 3.38Å; T77-A94 HydrophobicContact CG2-CB 4.3Å; T77-N98 PolarHBondContact OG1-ND2 3.48Å; T77-M129 HydrophobicContact CG2-CB 3.99Å; T77-M129 HydrophobicContact CG2-CG 4.48Å; T77-M129 HydrophobicContact CG2-SD 4.23Å
78L97.9Very high96.8Very high11 Ų1157.9 Ų57.96%0.05828%0.276CS..Hα-helixtrans-60.7-44.1179.6-75.8-179.9000112.3I74 F75 V80 N81 Y82 L132 F158 T164I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.43Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3Å; F75-L78 PolarHBondContact O-N 3.46Å; L78-V80 PolarHBondContact O-N 3Å; L78-N81 PolarHBondContact O-N 2.94Å; L78-Y82 WeakPolarHBondContact O-CB 3.35Å; L78-Y82 PolarHBondContact O-N 2.85Å; L78-L132 HydrophobicContact CD2-CD2 4.03Å; L78-F158 HydrophobicContact CD2-CE1 4.04Å; L78-F158 HydrophobicContact CD2-CZ 3.83Å; L78-T164 HydrophobicContact CD1-CG2 3.87Å; L78-T164 HydrophobicContact CD2-CG2 4.04Å; L78-T164 HydrophobicContact CG-CG2 4.21Å
79F97.8Very high96.7Very high130 Ų13058 Ų5857%0.5728%0.277SS*.Hα-helixtrans-59.1-46.9178.9179.8-108.7000111.8F75 T77 Y82 L83F75-F79 WeakPolarHBondContact O-CB 3.2Å; F75-F79 PolarHBondContact O-N 3.47Å; T77-F79 PolarHBondContact O-N 2.88Å; F79-Y82 WeakPolarHBondContact O-CB 3.34Å; F79-Y82 PolarHBondContact O-N 3.46Å; F79-L83 HydrophobicContact CD1-CD1 4.08Å; F79-L83 HydrophobicContact CE1-CD1 3.48Å; F79-L83 VanDerWaalsContact CE1-CD1 3.48Å; F79-L83 HydrophobicContact CE1-CG 4.34Å; F79-L83 HydrophobicContact CE2-CD1 4.27Å; F79-L83 HydrophobicContact CE2-CG 4.39Å; F79-L83 HydrophobicContact CZ-CD1 3.6Å; F79-L83 HydrophobicContact CZ-CG 4.2Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.27Å
80V98.3Very high96.6Very high16 Ų1656 Ų5610%0.09727%0.267CS..Hα-helixtrans-67.5-38.5178174.50000112T76 T77 L78 Y82 L83 F84 A90 F93T76-V80 WeakPolarHBondContact O-CG2 3.44Å; T76-V80 PolarHBondContact O-N 3.4Å; T76-V80 VanDerWaalsContact O-N 3.14Å; T77-V80 PolarHBondContact O-N 3.29Å; L78-V80 PolarHBondContact O-N 3Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 3.1Å; V80-L83 PolarHBondContact O-N 2.84Å; V80-F84 HydrophobicContact CG1-CD2 3.97Å; V80-F84 PolarHBondContact O-N 3.48Å; V80-A90 HydrophobicContact CG1-CB 4.4Å; V80-F93 HydrophobicContact CB-CD1 3.78Å; V80-F93 HydrophobicContact CB-CE1 3.96Å; V80-F93 HydrophobicContact CB-CG 4.35Å; V80-F93 HydrophobicContact CG1-CB 4.01Å; V80-F93 HydrophobicContact CG1-CD1 3.65Å; V80-F93 HydrophobicContact CG1-CE1 4.3Å; V80-F93 HydrophobicContact CG1-CG 3.79Å; V80-F93 HydrophobicContact CG2-CD1 3.74Å; V80-F93 HydrophobicContact CG2-CD2 4.43Å; V80-F93 HydrophobicContact CG2-CE1 3.51Å; V80-F93 HydrophobicContact CG2-CE2 4.21Å; V80-F93 HydrophobicContact CG2-CG 4.21Å; V80-F93 HydrophobicContact CG2-CZ 3.76Å
81N97.4Very high96.6Very high3 Ų356.1 Ų56.12%0.01627%0.268CS..Hα-helixtrans-67.7-30.3175.6-77.3-97.1000112.1T77 L78 F84 T85 S133 L136 F158T77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; T77-N81 PolarHBondContact O-N 3.3Å; T77-N81 PolarHBondContact O-ND2 3.38Å; L78-N81 PolarHBondContact O-N 2.94Å; N81-F84 CarbonylContact O-C 3.54Å; N81-T85 WeakPolarHBondContact O-CA 3.34Å; N81-T85 PolarHBondContact O-N 3.19Å; N81-T85 VanDerWaalsContact O-N 3.17Å; N81-T85 PolarHBondContact O-OG1 2.98Å; N81-S133 PolarHBondContact ND2-OG 3.33Å; N81-S133 WeakPolarHBondContact OD1-CA 3.45Å; N81-S133 WeakPolarHBondContact OD1-CB 3.47Å; N81-S133 PolarHBondContact OD1-OG 3.35Å; N81-L136 HydrophobicContact CB-CD1 3.99Å; N81-F158 HydrophobicContact CB-CE2 3.78Å; N81-F158 HydrophobicContact CB-CZ 4.35Å
82Y95.7Very high96.5Very high160 Ų16058.8 Ų58.863%0.62728%0.284SS*.Hα-helixtrans-68.1-48.6173.6-180-100000111.1L78 F79 V80 T85L78-Y82 WeakPolarHBondContact O-CB 3.35Å; L78-Y82 PolarHBondContact O-N 2.85Å; F79-Y82 WeakPolarHBondContact O-CB 3.34Å; F79-Y82 PolarHBondContact O-N 3.46Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 3.1Å; Y82-T85 PolarHBondContact O-OG1 3.46Å
83L96.7Very high96.5Very high95 Ų9559.6 Ų59.650%0.49728%0.283SS..Hα-helixtrans-63.7-42.9178.5-68.9-178.1000113F79 V80F79-L83 HydrophobicContact CD1-CD1 4.08Å; F79-L83 HydrophobicContact CE1-CD1 3.48Å; F79-L83 VanDerWaalsContact CE1-CD1 3.48Å; F79-L83 HydrophobicContact CE1-CG 4.34Å; F79-L83 HydrophobicContact CE2-CD1 4.27Å; F79-L83 HydrophobicContact CE2-CG 4.39Å; F79-L83 HydrophobicContact CZ-CD1 3.6Å; F79-L83 HydrophobicContact CZ-CG 4.2Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.27Å; V80-L83 PolarHBondContact O-N 2.84Å
84F95.3Very high96.5Very high102 Ų10259.6 Ų59.645%0.44728%0.283SS..THydrogen-bonded Turntrans-114.454.3-177.2-54.6-82.9000110.9V80 N81 H86 S87 A90V80-F84 HydrophobicContact CG1-CD2 3.97Å; V80-F84 PolarHBondContact O-N 3.48Å; N81-F84 CarbonylContact O-C 3.54Å; F84-H86 PolarHBondContact O-N 3.26Å; F84-S87 WeakPolarHBondContact CB-OG 3.46Å; F84-S87 WeakPolarHBondContact O-CB 3.5Å; F84-S87 PolarHBondContact O-N 3.43Å; F84-S87 PolarHBondContact O-OG 3.13Å; F84-A90 HydrophobicContact CB-CB 4.29Å
85T87.9Confident96.4Very high69 Ų6961.7 Ų61.742%0.42329%0.293SS..THydrogen-bonded Turntrans-53.3133.5-176.9-65.80000111.1N81 Y82 S87N81-T85 WeakPolarHBondContact O-CA 3.34Å; N81-T85 PolarHBondContact O-N 3.19Å; N81-T85 VanDerWaalsContact O-N 3.17Å; N81-T85 PolarHBondContact O-OG1 2.98Å; Y82-T85 PolarHBondContact O-OG1 3.46Å; T85-S87 PolarHBondContact O-N 2.62Å; T85-S87 VanDerWaalsContact O-N 3.13Å
86H91.5Very high96.4Very high66 Ų6662.1 Ų62.131%0.30630%0.303SS..THydrogen-bonded Turntrans56.525.8178.8-58.7-50.6000115.3F84 L136 Y137F84-H86 PolarHBondContact O-N 3.26Å; H86-L136 PolarHBondContact ND1-O 2.89Å; H86-Y137 VanDerWaalsContact O-CD2 3.31Å; H86-Y137 WeakPolarHBondContact O-CD2 3.22Å
87S94.5Very high96.4Very high27 Ų2762 Ų6219%0.18930%0.298CS..  trans-103.1157.8-177.377.90000114F84 T85 T89 A90 Y137F84-S87 WeakPolarHBondContact CB-OG 3.46Å; F84-S87 WeakPolarHBondContact O-CB 3.5Å; F84-S87 PolarHBondContact O-N 3.43Å; F84-S87 PolarHBondContact O-OG 3.13Å; T85-S87 PolarHBondContact O-N 2.62Å; T85-S87 VanDerWaalsContact O-N 3.13Å; S87-T89 VanDerWaalsContact C-N 3.31Å; S87-T89 PolarHBondContact OG-N 2.97Å; S87-A90 PolarHBondContact OG-N 3.21Å; S87-A90 VanDerWaalsContact OG-N 3.07Å; S87-Y137 VanDerWaalsContact C-CD2 3.49Å
88R93.4Very high96.4Very high170 Ų17062 Ų6264%0.64230%0.298SS*.Hα-helixtrans-69.1-30.6168.3-68.5-174.3-179.3171.84.1112.3A90 V91 I92 Y137R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 2.8Å; R88-V91 WeakPolarHBondContact O-CB 3.13Å; R88-V91 PolarHBondContact O-N 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.06Å; R88-I92 PolarHBondContact O-N 2.99Å; R88-Y137 HydrophobicContact CG-CD2 4.26Å; R88-Y137 HydrophobicContact CG-CE1 4.23Å; R88-Y137 HydrophobicContact CG-CE2 3.53Å; R88-Y137 PolarHBondContact NE-OH 3.06Å
89T96.3Very high96.4Very high83 Ų8362.2 Ų62.251%0.50930%0.299SS..Hα-helixtrans-59.6-44.3179-52.20000111.1S87 V91 I92 F93S87-T89 VanDerWaalsContact C-N 3.31Å; S87-T89 PolarHBondContact OG-N 2.97Å; T89-V91 VanDerWaalsContact C-N 3.32Å; T89-V91 PolarHBondContact O-N 3.47Å; T89-I92 PolarHBondContact O-N 3.04Å; T89-F93 WeakPolarHBondContact O-CB 3.29Å; T89-F93 PolarHBondContact O-N 3.28Å
90A97.4Very high96.4Very high1 Ų157.3 Ų57.31%0.00829%0.286CS..Hα-helixtrans-61.6-39.217600000112.6V80 F84 S87 R88 A94V80-A90 HydrophobicContact CG1-CB 4.4Å; F84-A90 HydrophobicContact CB-CB 4.29Å; S87-A90 PolarHBondContact OG-N 3.21Å; S87-A90 VanDerWaalsContact OG-N 3.07Å; R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 2.8Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.49Å
91V97.6Very high96.4Very high4 Ų459.2 Ų59.22%0.02429%0.292CS..Hα-helixtrans-66.5-48.3177176.90000111.5R88 T89 F93 A94 F95 S133 W134 Y137R88-V91 WeakPolarHBondContact O-CB 3.13Å; R88-V91 PolarHBondContact O-N 3.27Å; T89-V91 VanDerWaalsContact C-N 3.32Å; T89-V91 PolarHBondContact O-N 3.47Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.46Å; V91-A94 PolarHBondContact O-N 3Å; V91-F95 HydrophobicContact CG1-CD2 4.02Å; V91-F95 HydrophobicContact CG1-CE2 4Å; V91-F95 WeakPolarHBondContact O-CD2 3.37Å; V91-F95 PolarHBondContact O-N 3.18Å; V91-S133 WeakPolarHBondContact CG2-O 3.49Å; V91-W134 HydrophobicContact CG1-CD2 3.66Å; V91-W134 VanDerWaalsContact CG1-CE2 3.42Å; V91-W134 HydrophobicContact CG1-CE3 4.14Å; V91-W134 HydrophobicContact CG1-CG 4.08Å; V91-W134 HydrophobicContact CG1-CH2 4.12Å; V91-W134 HydrophobicContact CG1-CZ2 3.68Å; V91-W134 HydrophobicContact CG1-CZ3 4.34Å; V91-W134 HydrophobicContact CG2-CD2 4.41Å; V91-W134 HydrophobicContact CG2-CE3 4.36Å; V91-Y137 HydrophobicContact CG2-CG 4.07Å
92I97.5Very high96.5Very high107 Ų10759.1 Ų59.155%0.54929%0.291SS..Hα-helixtrans-60.2-45.8178.5-66.8167.3000109.6R88 T89 A94 F95 V96R88-I92 WeakPolarHBondContact O-CG1 3.06Å; R88-I92 PolarHBondContact O-N 2.99Å; T89-I92 PolarHBondContact O-N 3.04Å; I92-A94 PolarHBondContact O-N 3.35Å; I92-F95 PolarHBondContact O-N 3.2Å; I92-V96 HydrophobicContact CG2-CG2 4.38Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 3.42Å
93F98.4Very high96.5Very high68 Ų6852.7 Ų52.730%0.29827%0.268SS..Hα-helixtrans-57.5-50174.9177.3-89.6000111.4T76 V80 T89 V91 F95 V96 F97T76-F93 HydrophobicContact CG2-CE1 3.87Å; T76-F93 HydrophobicContact CG2-CZ 3.61Å; V80-F93 HydrophobicContact CB-CD1 3.78Å; V80-F93 HydrophobicContact CB-CE1 3.96Å; V80-F93 HydrophobicContact CB-CG 4.35Å; V80-F93 HydrophobicContact CG1-CB 4.01Å; V80-F93 HydrophobicContact CG1-CD1 3.65Å; V80-F93 HydrophobicContact CG1-CE1 4.3Å; V80-F93 HydrophobicContact CG1-CG 3.79Å; V80-F93 HydrophobicContact CG2-CD1 3.74Å; V80-F93 HydrophobicContact CG2-CD2 4.43Å; V80-F93 HydrophobicContact CG2-CE1 3.51Å; V80-F93 HydrophobicContact CG2-CE2 4.21Å; V80-F93 HydrophobicContact CG2-CG 4.21Å; V80-F93 HydrophobicContact CG2-CZ 3.76Å; T89-F93 WeakPolarHBondContact O-CB 3.29Å; T89-F93 PolarHBondContact O-N 3.28Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.46Å; F93-F95 VanDerWaalsContact C-N 3.28Å; F93-F95 PolarHBondContact O-N 2.65Å; F93-V96 PolarHBondContact O-N 2.5Å; F93-F97 HydrophobicContact CD1-CB 4.2Å; F93-F97 HydrophobicContact CE1-CB 3.76Å; F93-F97 HydrophobicContact CE1-CD1 4.04Å; F93-F97 AromaticContact CE1-CG 3.9Å; F93-F97 HydrophobicContact CE1-CG 3.9Å; F93-F97 HydrophobicContact CE2-CB 4.19Å; F93-F97 HydrophobicContact CZ-CB 3.75Å; F93-F97 HydrophobicContact CZ-CD1 4.31Å; F93-F97 HydrophobicContact CZ-CD2 4.11Å; F93-F97 AromaticContact CZ-CG 3.79Å; F93-F97 HydrophobicContact CZ-CG 3.79Å; F93-F97 WeakPolarHBondContact O-CB 3.41Å; F93-F97 PolarHBondContact O-N 2.81Å
94A98.2Very high96.5Very high0 Ų053.3 Ų53.30%027%0.271CS..Hα-helixtrans-58.3-40.3-178.600000112.2T77 A90 V91 I92 N98 I130 S133T77-A94 HydrophobicContact CG2-CB 4.3Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.49Å; V91-A94 PolarHBondContact O-N 3Å; I92-A94 PolarHBondContact O-N 3.35Å; A94-N98 VanDerWaalsContact O-CB 3.3Å; A94-N98 WeakPolarHBondContact O-CB 3.46Å; A94-N98 PolarHBondContact O-N 3.06Å; A94-N98 VanDerWaalsContact O-N 3.11Å; A94-N98 PolarHBondContact O-ND2 2.81Å; A94-I130 WeakPolarHBondContact O-CG1 3.38Å; A94-S133 WeakPolarHBondContact CB-OG 3.43Å
95F97.3Very high96.5Very high45 Ų4548.6 Ų48.620%0.19725%0.252CS..Hα-helixtrans-61.5-58.5171.8-89.3-75.1000112V91 I92 F93 F97 M99 I130 W134 W389 V394 F414V91-F95 HydrophobicContact CG1-CD2 4.02Å; V91-F95 HydrophobicContact CG1-CE2 4Å; V91-F95 WeakPolarHBondContact O-CD2 3.37Å; V91-F95 PolarHBondContact O-N 3.18Å; I92-F95 PolarHBondContact O-N 3.2Å; F93-F95 VanDerWaalsContact C-N 3.28Å; F93-F95 PolarHBondContact O-N 2.65Å; F95-F97 PolarHBondContact O-N 2.97Å; F95-M99 WeakPolarHBondContact O-CB 2.94Å; F95-M99 PolarHBondContact O-N 2.82Å; F95-I130 HydrophobicContact CD1-CD1 3.75Å; F95-I130 HydrophobicContact CD1-CG1 4.24Å; F95-I130 HydrophobicContact CD1-CG2 3.74Å; F95-I130 HydrophobicContact CD2-CG2 3.93Å; F95-I130 HydrophobicContact CE1-CD1 4.22Å; F95-I130 HydrophobicContact CE1-CG2 3.48Å; F95-I130 VanDerWaalsContact CE1-CG2 3.48Å; F95-I130 HydrophobicContact CE2-CG2 3.72Å; F95-I130 HydrophobicContact CG-CD1 4.33Å; F95-I130 HydrophobicContact CG-CG1 4.4Å; F95-I130 HydrophobicContact CG-CG2 3.95Å; F95-I130 HydrophobicContact CZ-CG2 3.47Å; F95-I130 VanDerWaalsContact CZ-CG2 3.47Å; F95-W134 AromaticContact CE2-CD1 3.92Å; F95-W134 AromaticContact CE2-CE2 3.81Å; F95-W134 HydrophobicContact CE2-CZ2 4.1Å; F95-W134 AromaticContact CE2-NE1 3.06Å; F95-W134 AromaticContact CZ-NE1 3.39Å; F95-W389 HydrophobicContact CE1-CH2 4.35Å; F95-V394 HydrophobicContact CE1-CG2 4.21Å; F95-V394 HydrophobicContact CZ-CG2 4.3Å; F95-F414 HydrophobicContact CD1-CE2 4.18Å; F95-F414 HydrophobicContact CE1-CE2 4Å
96V98.3Very high96.7Very high102 Ų10245.5 Ų45.562%0.61823%0.233SC*.Hα-helixtrans-61.9-46.4-173173.10000110.7I92 F93 G100I92-V96 HydrophobicContact CG2-CG2 4.38Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 3.42Å; F93-V96 PolarHBondContact O-N 2.5Å; V96-G100 WeakPolarHBondContact O-CA 3.5Å; V96-G100 PolarHBondContact O-N 3Å
97F98.7Very high96.6Very high42 Ų4248.7 Ų48.718%0.18425%0.247CC..Hα-helixtrans-66.5-58.1-178.3173-106.8000112.1V72 T76 F93 F95 M99 G100 Y101V72-F97 HydrophobicContact CG1-CZ 4.07Å; T76-F97 HydrophobicContact CG2-CD1 4.19Å; T76-F97 HydrophobicContact CG2-CD2 4.34Å; T76-F97 HydrophobicContact CG2-CE1 3.75Å; T76-F97 HydrophobicContact CG2-CE2 3.92Å; T76-F97 HydrophobicContact CG2-CG 4.45Å; T76-F97 HydrophobicContact CG2-CZ 3.6Å; F93-F97 HydrophobicContact CD1-CB 4.2Å; F93-F97 HydrophobicContact CE1-CB 3.76Å; F93-F97 HydrophobicContact CE1-CD1 4.04Å; F93-F97 AromaticContact CE1-CG 3.9Å; F93-F97 HydrophobicContact CE1-CG 3.9Å; F93-F97 HydrophobicContact CE2-CB 4.19Å; F93-F97 HydrophobicContact CZ-CB 3.75Å; F93-F97 HydrophobicContact CZ-CD1 4.31Å; F93-F97 HydrophobicContact CZ-CD2 4.11Å; F93-F97 AromaticContact CZ-CG 3.79Å; F93-F97 HydrophobicContact CZ-CG 3.79Å; F93-F97 WeakPolarHBondContact O-CB 3.41Å; F93-F97 PolarHBondContact O-N 2.81Å; F95-F97 PolarHBondContact O-N 2.97Å; F97-M99 VanDerWaalsContact C-N 3.31Å; F97-M99 PolarHBondContact O-N 3.19Å; F97-G100 PolarHBondContact O-N 3.15Å; F97-Y101 HydrophobicContact CE2-CD2 4.11Å; F97-Y101 HydrophobicContact CZ-CD2 4.26Å; F97-Y101 WeakPolarHBondContact O-CB 3.27Å; F97-Y101 PolarHBondContact O-N 2.92Å
98N98.7Very high96.4Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-66.6-36-175-72.4-88.6000111.6T77 A94 L102 C126 M129 I130T77-N98 PolarHBondContact OG1-ND2 3.48Å; A94-N98 VanDerWaalsContact O-CB 3.3Å; A94-N98 WeakPolarHBondContact O-CB 3.46Å; A94-N98 PolarHBondContact O-N 3.06Å; A94-N98 VanDerWaalsContact O-N 3.11Å; A94-N98 PolarHBondContact O-ND2 2.81Å; N98-L102 WeakPolarHBondContact O-CB 3.46Å; N98-L102 PolarHBondContact O-N 3.03Å; N98-C126 HydrophobicContact CB-CB 4.25Å; N98-M129 WeakPolarHBondContact OD1-CB 3.43Å; N98-I130 HydrophobicContact CB-CD1 4.48Å; N98-I130 HydrophobicContact CB-CG1 4.39Å
99M97.9Very high96.2Very high16 Ų1646.8 Ų46.88%0.07925%0.248CC..Hα-helixtrans-69.1-47.6176.2-162.769.2179.900111.6F95 F97 Y101 L102 V103 F414 L417 W418F95-M99 WeakPolarHBondContact O-CB 2.94Å; F95-M99 PolarHBondContact O-N 2.82Å; F97-M99 VanDerWaalsContact C-N 3.31Å; F97-M99 PolarHBondContact O-N 3.19Å; M99-Y101 VanDerWaalsContact C-N 3.32Å; M99-Y101 PolarHBondContact O-N 3.09Å; M99-L102 PolarHBondContact O-N 2.54Å; M99-V103 WeakPolarHBondContact O-CB 3.3Å; M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.22Å; M99-V103 PolarHBondContact O-N 3.28Å; M99-F414 HydrophobicContact CE-CD2 4.45Å; M99-F414 HydrophobicContact CE-CE2 4.42Å; M99-F414 HydrophobicContact SD-CE2 3.99Å; M99-F414 HydrophobicContact SD-CZ 4.45Å; M99-L417 HydrophobicContact CE-CB 3.42Å; M99-L417 VanDerWaalsContact CE-CB 3.42Å; M99-L417 HydrophobicContact CE-CD2 3.73Å; M99-L417 HydrophobicContact CE-CG 3.37Å; M99-L417 HydrophobicContact CG-CD2 4.06Å; M99-L417 HydrophobicContact CG-CG 4.4Å; M99-W418 HydrophobicContact CE-CB 3.79Å; M99-W418 HydrophobicContact SD-CB 4.46Å
100G98.3Very high95.7Very high28 Ų2843.6 Ų43.629%0.28923%0.229SC..Hα-helixtrans-59.8-43.617700000111.8V96 F97 V103 I104V96-G100 WeakPolarHBondContact O-CA 3.5Å; V96-G100 PolarHBondContact O-N 3Å; F97-G100 PolarHBondContact O-N 3.15Å; G100-V103 PolarHBondContact O-N 2.79Å; G100-I104 WeakPolarHBondContact O-CB 3.3Å; G100-I104 WeakPolarHBondContact O-CD1 3.36Å; G100-I104 WeakPolarHBondContact O-CG1 3.35Å; G100-I104 PolarHBondContact O-N 2.8Å
101Y98.4Very high95Very high56 Ų5652.6 Ų52.622%0.2226%0.262CS..Hα-helixtrans-62.3-45.4178-157.4-87.8000112.1H69 V72 F97 M99 G105 W118 Y122H69-Y101 HydrophobicContact CB-CE1 3.93Å; H69-Y101 AromaticContact ND1-CE1 3.63Å; H69-Y101 AromaticContact ND1-CZ 3.59Å; H69-Y101 PolarHBondContact ND1-OH 3.01Å; V72-Y101 HydrophobicContact CG1-CE2 3.82Å; F97-Y101 HydrophobicContact CE2-CD2 4.11Å; F97-Y101 HydrophobicContact CZ-CD2 4.26Å; F97-Y101 WeakPolarHBondContact O-CB 3.27Å; F97-Y101 PolarHBondContact O-N 2.92Å; M99-Y101 VanDerWaalsContact C-N 3.32Å; M99-Y101 PolarHBondContact O-N 3.09Å; Y101-G105 PolarHBondContact O-N 3.31Å; Y101-W118 AromaticContact CD1-CH2 3.81Å; Y101-W118 HydrophobicContact CD1-CH2 3.81Å; Y101-W118 HydrophobicContact CD1-CZ3 4.04Å; Y101-W118 AromaticContact CE1-CH2 3.55Å; Y101-W118 HydrophobicContact CE1-CH2 3.55Å; Y101-W118 AromaticContact CE1-CZ3 3.83Å; Y101-W118 HydrophobicContact CE1-CZ3 3.83Å; Y101-Y122 HydrophobicContact CD1-CE1 4.03Å; Y101-Y122 AromaticContact CD1-CE2 3.83Å; Y101-Y122 HydrophobicContact CD1-CE2 3.83Å; Y101-Y122 AromaticContact CD1-CZ 3.51Å; Y101-Y122 WeakPolarHBondContact CD1-OH 3.12Å; Y101-Y122 HydrophobicContact CE1-CE2 4.11Å
102L97.5Very high93.9Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-63.3-42.6176.1177.759.4000112N98 M99 G105 S106 Y122 C123 C126 W418N98-L102 WeakPolarHBondContact O-CB 3.46Å; N98-L102 PolarHBondContact O-N 3.03Å; M99-L102 PolarHBondContact O-N 2.54Å; L102-G105 PolarHBondContact O-N 3.06Å; L102-S106 VanDerWaalsContact O-CB 3.27Å; L102-S106 WeakPolarHBondContact O-CB 3.14Å; L102-S106 PolarHBondContact O-N 3.47Å; L102-S106 PolarHBondContact O-OG 3.25Å; L102-Y122 HydrophobicContact CB-CD1 3.93Å; L102-Y122 HydrophobicContact CB-CE1 4.16Å; L102-Y122 HydrophobicContact CD1-CD1 4.04Å; L102-Y122 HydrophobicContact CG-CD1 4.48Å; L102-C123 HydrophobicContact CD2-CB 4.49Å; L102-C126 HydrophobicContact CD2-CB 4.17Å; L102-W418 HydrophobicContact CD2-CG 4.43Å; L102-W418 WeakPolarHBondContact CD2-O 3.48Å
103V96.5Very high92.9Very high26 Ų2651.5 Ų51.516%0.15826%0.262CS..Hα-helixtrans-65.5-46.1179.3165.80000111.3M99 G100 S106 H107 L417 T421M99-V103 WeakPolarHBondContact O-CB 3.3Å; M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.22Å; M99-V103 PolarHBondContact O-N 3.28Å; G100-V103 PolarHBondContact O-N 2.79Å; V103-S106 PolarHBondContact O-N 2.92Å; V103-H107 WeakPolarHBondContact O-CB 3.33Å; V103-H107 PolarHBondContact O-N 3.11Å; V103-L417 HydrophobicContact CG1-CD1 4.42Å; V103-L417 HydrophobicContact CG2-CD1 3.59Å; V103-L417 HydrophobicContact CG2-CD2 4.5Å; V103-L417 HydrophobicContact CG2-CG 3.73Å; V103-T421 HydrophobicContact CG1-CG2 3.66Å
104I96.3Very high91.5Very high107 Ų10753.6 Ų53.655%0.54927%0.268SS..Hα-helixtrans-62.5-47.6176.6-68.6165.1000109.9G100 S106 H107 I108G100-I104 WeakPolarHBondContact O-CB 3.3Å; G100-I104 WeakPolarHBondContact O-CD1 3.36Å; G100-I104 WeakPolarHBondContact O-CG1 3.35Å; G100-I104 PolarHBondContact O-N 2.8Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.21Å; I104-H107 PolarHBondContact O-N 3.27Å; I104-H107 VanDerWaalsContact O-N 3.16Å; I104-I108 HydrophobicContact CG2-CD1 3.71Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 2.89Å
105G94.9Very high90.4Very high4 Ų455 Ų554%0.04128%0.276CS..Hα-helixtrans-58.5-44.8176.200000112.4Y101 L102 H107 I108 C109Y101-G105 PolarHBondContact O-N 3.31Å; L102-G105 PolarHBondContact O-N 3.06Å; G105-H107 VanDerWaalsContact C-N 3.3Å; G105-H107 PolarHBondContact O-N 3.44Å; G105-I108 PolarHBondContact O-N 3.29Å; G105-C109 VanDerWaalsContact O-CB 3.31Å; G105-C109 WeakPolarHBondContact O-CB 3.39Å; G105-C109 PolarHBondContact O-N 3.46Å; G105-C109 PolarHBondContact O-SG 2.85Å
106S92.2Very high89.9Confident4 Ų454.2 Ų54.23%0.02827%0.273CS..Hα-helixtrans-62.9-37.2177.1-61.50000112.1L102 V103 I104 N110L102-S106 VanDerWaalsContact O-CB 3.27Å; L102-S106 WeakPolarHBondContact O-CB 3.14Å; L102-S106 PolarHBondContact O-N 3.47Å; L102-S106 PolarHBondContact O-OG 3.25Å; V103-S106 PolarHBondContact O-N 2.92Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.21Å; S106-N110 WeakPolarHBondContact O-CB 3.39Å; S106-N110 VanDerWaalsContact O-CG 3.27Å; S106-N110 PolarHBondContact O-N 3.23Å; S106-N110 VanDerWaalsContact O-N 3.08Å; S106-N110 PolarHBondContact O-ND2 2.85Å
107H90.6Very high89.6Confident132 Ų13250.2 Ų50.261%0.61125%0.249SC*.Hα-helixtrans-69.6-36.7178.1-174.261.1000112.8V103 I104 G105V103-H107 WeakPolarHBondContact O-CB 3.33Å; V103-H107 PolarHBondContact O-N 3.11Å; I104-H107 PolarHBondContact O-N 3.27Å; I104-H107 VanDerWaalsContact O-N 3.16Å; G105-H107 VanDerWaalsContact C-N 3.3Å; G105-H107 PolarHBondContact O-N 3.44Å
108I91.1Very high89.5Confident126 Ų12648.7 Ų48.765%0.64624%0.242SC*.Hα-helixtrans-76.5-44.3179.1-64.9167.3000111.2I104 G105I104-I108 HydrophobicContact CG2-CD1 3.71Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 2.89Å; G105-I108 PolarHBondContact O-N 3.29Å
109C89Confident89.3Confident31 Ų3149 Ų4921%0.20924%0.243CC..Hα-helixtrans-91.1-29-168.5-62.60000114.2G105 N117 W118G105-C109 VanDerWaalsContact O-CB 3.31Å; G105-C109 WeakPolarHBondContact O-CB 3.39Å; G105-C109 PolarHBondContact O-N 3.46Å; G105-C109 PolarHBondContact O-SG 2.85Å; C109-N117 HydrophobicContact CB-CB 4.47Å; C109-N117 WeakPolarHBondContact CB-ND2 3.42Å; C109-W118 PolarHBondContact SG-NE1 3.26Å
110N85.8Confident89Confident17 Ų1749.6 Ų49.69%0.09125%0.248CC..  trans-86.2121.7-178.2-58-19.7000109.6S106 G112 N117 Y422S106-N110 WeakPolarHBondContact O-CB 3.39Å; S106-N110 VanDerWaalsContact O-CG 3.27Å; S106-N110 PolarHBondContact O-N 3.23Å; S106-N110 VanDerWaalsContact O-N 3.08Å; S106-N110 PolarHBondContact O-ND2 2.85Å; N110-G112 PolarHBondContact O-N 3.31Å; N110-N117 PolarHBondContact OD1-ND2 3.25Å; N110-Y422 HydrophobicContact CB-CE2 3.94Å; N110-Y422 PolarHBondContact O-OH 3.35Å
111R81.4Confident88.9Confident190 Ų19048.2 Ų48.272%0.71723%0.234SC*.  trans-92.217.6179.7-66.7-178.7-73.6-97.70.6112.9T113 D115 K488R111-T113 VanDerWaalsContact C-N 3.28Å; R111-D115 PolarHBondContact N-OD2 3.23Å; R111-K488 PolarHBondContact O-NZ 3.24Å
112G75.3Confident88.9Confident5 Ų545.6 Ų45.65%0.05222%0.224CC..SBendtrans74.822.1177.400000113.8N110 Y422 K488N110-G112 PolarHBondContact O-N 3.31Å; G112-Y422 WeakPolarHBondContact CA-OH 3.39Å; G112-Y422 PolarHBondContact N-OH 3.25Å; G112-K488 VanDerWaalsContact CA-CE 3.41Å; G112-K488 WeakPolarHBondContact O-CE 3.36Å
113T76.1Confident88.8Confident83 Ų8346.7 Ų46.751%0.50923%0.231SC..SBendtrans-108.4165.3151.642.20000107.9R111 D115R111-T113 VanDerWaalsContact C-N 3.28Å; T113-D115 PolarHBondContact O-N 2.89Å; T113-D115 PolarHBondContact OG1-OD1 3.38Å
114Y69.2Low88.9Confident111 Ų11146 Ų4644%0.43523%0.227SC..  trans-71.796.3171.6-174.5-88.4000108.8I116 Y272Y114-I116 HydrophobicContact CD1-CG1 4.42Å; Y114-I116 HydrophobicContact CE1-CD1 4.48Å; Y114-I116 HydrophobicContact CE1-CG1 3.93Å; Y114-Y272 HydrophobicContact CE2-CE1 4.19Å; Y114-Y272 AromaticContact CZ-CE1 3.97Å
115D75.8Confident89Confident30 Ų3041 Ų4116%0.1620%0.202CC..  trans-100.9131.3-178.3-59.7-30.4000110.1R111 T113 N117R111-D115 PolarHBondContact N-OD2 3.23Å; T113-D115 PolarHBondContact O-N 2.89Å; T113-D115 PolarHBondContact OG1-OD1 3.38Å; D115-N117 PolarHBondContact O-N 3.4Å
116I86.3Confident89.1Confident28 Ų2840.9 Ų40.914%0.14420%0.2CC..  trans-90.5102.1176.2-58.3177.8000108.5C18 L21 F63 Y114C18-I116 HydrophobicContact CB-CD1 4.26Å; C18-I116 WeakPolarHBondContact SG-CD1 3.35Å; L21-I116 HydrophobicContact CD2-CD1 3.93Å; L21-I116 HydrophobicContact CD2-CG2 4.12Å; F63-I116 HydrophobicContact CE1-CG2 4.07Å; F63-I116 HydrophobicContact CZ-CG2 4.36Å; Y114-I116 HydrophobicContact CD1-CG1 4.42Å; Y114-I116 HydrophobicContact CE1-CD1 4.48Å; Y114-I116 HydrophobicContact CE1-CG1 3.93Å
117N92.2Very high89.4Confident19 Ų1940.8 Ų40.810%0.10220%0.199CC..SBendtrans-134-176.5178.26150.8000111C109 N110 D115 T119 T120C109-N117 HydrophobicContact CB-CB 4.47Å; C109-N117 WeakPolarHBondContact CB-ND2 3.42Å; N110-N117 PolarHBondContact OD1-ND2 3.25Å; D115-N117 PolarHBondContact O-N 3.4Å; N117-T119 PolarHBondContact O-N 3.1Å; N117-T119 VanDerWaalsContact OD1-CB 3.27Å; N117-T119 WeakPolarHBondContact OD1-CB 2.94Å; N117-T119 VanDerWaalsContact OD1-CG2 3.29Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.16Å; N117-T119 PolarHBondContact OD1-N 3.45Å; N117-T119 PolarHBondContact OD1-OG1 2.74Å; N117-T120 WeakPolarHBondContact O-CB 3.42Å; N117-T120 PolarHBondContact O-N 3.41Å; N117-T120 PolarHBondContact O-OG1 2.92Å
118W95.1Very high89.8Confident9 Ų934.6 Ų34.63%0.03417%0.17CC..THydrogen-bonded Turntrans-57.7-20.2-176.470.6-96.7000114.7F59 D66 H69 Y101 C109 T120 P121 Y122F59-W118 HydrophobicContact CZ-CB 4.07Å; D66-W118 HydrophobicContact CB-CB 3.6Å; D66-W118 HydrophobicContact CB-CG 3.82Å; H69-W118 HydrophobicContact CB-CD2 3.88Å; H69-W118 HydrophobicContact CB-CE3 3.45Å; H69-W118 VanDerWaalsContact CB-CE3 3.45Å; H69-W118 HydrophobicContact CB-CH2 4.01Å; H69-W118 HydrophobicContact CB-CZ2 4.36Å; H69-W118 HydrophobicContact CB-CZ3 3.54Å; H69-W118 AromaticContact CD2-CD1 3.83Å; H69-W118 AromaticContact CD2-CD2 3.51Å; H69-W118 AromaticContact CD2-CE2 3.35Å; H69-W118 AromaticContact CD2-CG 3.84Å; H69-W118 AromaticContact CD2-CZ2 3.78Å; H69-W118 AromaticContact CD2-NE1 3.54Å; H69-W118 AromaticContact CE1-CZ2 3.92Å; H69-W118 AromaticContact CG-CD2 3.76Å; H69-W118 AromaticContact CG-CE2 3.71Å; H69-W118 AromaticContact CG-CE3 3.81Å; H69-W118 AromaticContact CG-CH2 3.83Å; H69-W118 AromaticContact CG-CZ2 3.74Å; H69-W118 AromaticContact CG-CZ3 3.86Å; H69-W118 AromaticContact ND1-CH2 3.93Å; H69-W118 AromaticContact ND1-CZ2 3.82Å; H69-W118 AromaticContact NE2-CE2 3.7Å; H69-W118 AromaticContact NE2-CZ2 3.9Å; H69-W118 AromaticContact NE2-NE1 3.66Å; Y101-W118 AromaticContact CD1-CH2 3.81Å; Y101-W118 HydrophobicContact CD1-CH2 3.81Å; Y101-W118 HydrophobicContact CD1-CZ3 4.04Å; Y101-W118 AromaticContact CE1-CH2 3.55Å; Y101-W118 HydrophobicContact CE1-CH2 3.55Å; Y101-W118 AromaticContact CE1-CZ3 3.83Å; Y101-W118 HydrophobicContact CE1-CZ3 3.83Å; C109-W118 PolarHBondContact SG-NE1 3.26Å; W118-T120 PolarHBondContact O-N 3.26Å; W118-P121 VanDerWaalsContact O-CD 3.22Å; W118-P121 WeakPolarHBondContact O-CD 3.45Å; W118-P121 VanDerWaalsContact O-CG 3.26Å; W118-P121 WeakPolarHBondContact O-CG 3.31Å; W118-Y122 HydrophobicContact CE3-CD2 4.06Å; W118-Y122 HydrophobicContact CE3-CG 4.18Å; W118-Y122 HydrophobicContact CZ3-CD1 4.43Å; W118-Y122 AromaticContact CZ3-CD2 3.68Å; W118-Y122 HydrophobicContact CZ3-CD2 3.68Å; W118-Y122 HydrophobicContact CZ3-CE2 4.28Å; W118-Y122 AromaticContact CZ3-CG 3.76Å; W118-Y122 HydrophobicContact CZ3-CG 3.76Å; W118-Y122 WeakPolarHBondContact O-CB 2.97Å; W118-Y122 PolarHBondContact O-N 3.07Å
119T95Very high90.1Very high6 Ų628.6 Ų28.64%0.03714%0.14CC..Hα-helixtrans-64.4-26.8175.368.50000111.8N117 Y122 C123N117-T119 PolarHBondContact O-N 3.1Å; N117-T119 VanDerWaalsContact OD1-CB 3.27Å; N117-T119 WeakPolarHBondContact OD1-CB 2.94Å; N117-T119 VanDerWaalsContact OD1-CG2 3.29Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.16Å; N117-T119 PolarHBondContact OD1-N 3.45Å; N117-T119 PolarHBondContact OD1-OG1 2.74Å; T119-Y122 CarbonylContact O-C 3.27Å; T119-Y122 WeakPolarHBondContact O-CB 3.25Å; T119-Y122 PolarHBondContact O-N 3.27Å; T119-C123 PolarHBondContact O-N 3.41Å; T119-C123 PolarHBondContact O-SG 3.28Å
120T92.3Very high90.6Very high29 Ų2927.1 Ų27.118%0.17813%0.13CC..Hα-helixtrans-61.2-57.6179.6-58.20000112.4N117 W118 Y122 C123N117-T120 WeakPolarHBondContact O-CB 3.42Å; N117-T120 PolarHBondContact O-N 3.41Å; N117-T120 PolarHBondContact O-OG1 2.92Å; W118-T120 PolarHBondContact O-N 3.26Å; T120-Y122 VanDerWaalsContact C-N 3.25Å; T120-Y122 PolarHBondContact O-N 2.83Å; T120-C123 WeakPolarHBondContact O-CB 3.38Å; T120-C123 PolarHBondContact O-N 2.96Å
121P96.3Very high91.2Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-66.6-28.2172.126.6-35.6000112.5F59 F63 M70 W118 C123 V124 L125 F174 L175F59-P121 HydrophobicContact CD2-CG 4.22Å; F59-P121 HydrophobicContact CE2-CB 4.11Å; F59-P121 HydrophobicContact CE2-CG 3.49Å; F59-P121 VanDerWaalsContact CE2-CG 3.49Å; F59-P121 HydrophobicContact CZ-CG 4.22Å; F63-P121 HydrophobicContact CD2-CG 4.14Å; F63-P121 HydrophobicContact CE2-CG 3.66Å; F63-P121 HydrophobicContact CZ-CG 4.23Å; M70-P121 HydrophobicContact CE-CB 4.1Å; W118-P121 VanDerWaalsContact O-CD 3.22Å; W118-P121 WeakPolarHBondContact O-CD 3.45Å; W118-P121 VanDerWaalsContact O-CG 3.26Å; W118-P121 WeakPolarHBondContact O-CG 3.31Å; P121-C123 VanDerWaalsContact C-N 3.26Å; P121-C123 PolarHBondContact O-N 3.24Å; P121-V124 WeakPolarHBondContact O-CB 3.37Å; P121-V124 PolarHBondContact O-N 3.36Å; P121-V124 VanDerWaalsContact O-N 3.15Å; P121-L125 PolarHBondContact O-N 2.97Å; P121-F174 WeakPolarHBondContact CA-O 3.39Å; P121-F174 HydrophobicContact CB-CD2 3.87Å; P121-F174 HydrophobicContact CB-CE2 4.17Å; P121-L175 HydrophobicContact CB-CD2 4.46Å
122Y97.9Very high91.9Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-65.6-28.5176.1-158.1-82.2000112.3H69 M70 G73 Y101 L102 W118 T119 T120 V124 L125 C126H69-Y122 WeakPolarHBondContact O-CE2 3.41Å; M70-Y122 HydrophobicContact SD-CD2 3.74Å; M70-Y122 HydrophobicContact SD-CG 4.36Å; G73-Y122 WeakPolarHBondContact CA-OH 3.43Å; Y101-Y122 HydrophobicContact CD1-CE1 4.03Å; Y101-Y122 AromaticContact CD1-CE2 3.83Å; Y101-Y122 HydrophobicContact CD1-CE2 3.83Å; Y101-Y122 AromaticContact CD1-CZ 3.51Å; Y101-Y122 WeakPolarHBondContact CD1-OH 3.12Å; Y101-Y122 HydrophobicContact CE1-CE2 4.11Å; L102-Y122 HydrophobicContact CB-CD1 3.93Å; L102-Y122 HydrophobicContact CB-CE1 4.16Å; L102-Y122 HydrophobicContact CD1-CD1 4.04Å; L102-Y122 HydrophobicContact CG-CD1 4.48Å; W118-Y122 HydrophobicContact CE3-CD2 4.06Å; W118-Y122 HydrophobicContact CE3-CG 4.18Å; W118-Y122 HydrophobicContact CZ3-CD1 4.43Å; W118-Y122 AromaticContact CZ3-CD2 3.68Å; W118-Y122 HydrophobicContact CZ3-CD2 3.68Å; W118-Y122 HydrophobicContact CZ3-CE2 4.28Å; W118-Y122 AromaticContact CZ3-CG 3.76Å; W118-Y122 HydrophobicContact CZ3-CG 3.76Å; W118-Y122 WeakPolarHBondContact O-CB 2.97Å; W118-Y122 PolarHBondContact O-N 3.07Å; T119-Y122 CarbonylContact O-C 3.27Å; T119-Y122 WeakPolarHBondContact O-CB 3.25Å; T119-Y122 PolarHBondContact O-N 3.27Å; T120-Y122 VanDerWaalsContact C-N 3.25Å; T120-Y122 PolarHBondContact O-N 2.83Å; Y122-V124 VanDerWaalsContact C-N 3.28Å; Y122-V124 PolarHBondContact O-N 3.07Å; Y122-L125 HydrophobicContact CD2-CD2 3.86Å; Y122-L125 HydrophobicContact CE2-CD2 3.8Å; Y122-L125 CarbonylContact O-C 3.55Å; Y122-L125 PolarHBondContact O-N 3.34Å; Y122-C126 HydrophobicContact CD1-CB 4.27Å; Y122-C126 HydrophobicContact CE1-CB 4.31Å; Y122-C126 VanDerWaalsContact O-CB 3.25Å; Y122-C126 WeakPolarHBondContact O-CB 3.32Å; Y122-C126 PolarHBondContact O-N 2.82Å
123C96.2Very high93Very high23 Ų2317.2 Ų17.216%0.1559%0.091CC..Hα-helixtrans-56-44.5171-71.30000111.4L102 T119 T120 P121 W418L102-C123 HydrophobicContact CD2-CB 4.49Å; T119-C123 PolarHBondContact O-N 3.41Å; T119-C123 PolarHBondContact O-SG 3.28Å; T120-C123 WeakPolarHBondContact O-CB 3.38Å; T120-C123 PolarHBondContact O-N 2.96Å; P121-C123 VanDerWaalsContact C-N 3.26Å; P121-C123 PolarHBondContact O-N 3.24Å; C123-W418 HydrophobicContact CB-CZ2 3.67Å; C123-W418 PolarHBondContact O-NE1 2.82Å
124V97Very high94.1Very high13 Ų1315 Ų158%0.0797%0.073CC..Hα-helixtrans-67-44.5176.2-173.40000110.3P121 Y122 C126 L127 R128P121-V124 WeakPolarHBondContact O-CB 3.37Å; P121-V124 PolarHBondContact O-N 3.36Å; P121-V124 VanDerWaalsContact O-N 3.15Å; Y122-V124 VanDerWaalsContact C-N 3.28Å; Y122-V124 PolarHBondContact O-N 3.07Å; V124-C126 PolarHBondContact O-N 3.3Å; V124-L127 PolarHBondContact O-N 2.93Å; V124-R128 WeakPolarHBondContact O-CG 3.39Å; V124-R128 PolarHBondContact O-N 3.28Å; V124-R128 VanDerWaalsContact O-N 3.11Å
125L98.5Very high95.4Very high2 Ų29.7 Ų9.71%0.015%0.052CC..Hα-helixtrans-61-43.9179.3-17666.2000112.3M70 I74 P121 Y122 L127 R128 M129M70-L125 HydrophobicContact CB-CD2 4.15Å; M70-L125 HydrophobicContact CE-CB 3.87Å; M70-L125 HydrophobicContact CE-CD2 3.78Å; M70-L125 HydrophobicContact CE-CG 4.27Å; M70-L125 HydrophobicContact SD-CB 4.38Å; M70-L125 HydrophobicContact SD-CD2 3.74Å; I74-L125 HydrophobicContact CD1-CD1 4.11Å; I74-L125 HydrophobicContact CD1-CD2 4.44Å; I74-L125 HydrophobicContact CG1-CD1 3.72Å; I74-L125 HydrophobicContact CG1-CD2 4.07Å; I74-L125 HydrophobicContact CG1-CG 4.46Å; P121-L125 PolarHBondContact O-N 2.97Å; Y122-L125 HydrophobicContact CD2-CD2 3.86Å; Y122-L125 HydrophobicContact CE2-CD2 3.8Å; Y122-L125 CarbonylContact O-C 3.55Å; Y122-L125 PolarHBondContact O-N 3.34Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 3.02Å; L125-R128 CarbonylContact O-C 3.6Å; L125-R128 WeakPolarHBondContact O-CA 3.22Å; L125-R128 WeakPolarHBondContact O-CB 3.34Å; L125-R128 PolarHBondContact O-N 3.36Å; L125-M129 HydrophobicContact CD1-CE 3.87Å; L125-M129 HydrophobicContact CD1-CG 4.03Å; L125-M129 HydrophobicContact CD1-SD 4.34Å; L125-M129 HydrophobicContact CG-CG 4.04Å; L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 3.45Å
126C98.6Very high96.4Very high0 Ų08.4 Ų8.40%05%0.045CC..Hα-helixtrans-53.9-49.5179.1173.30000110.8N98 L102 Y122 V124 R128 M129 I130N98-C126 HydrophobicContact CB-CB 4.25Å; L102-C126 HydrophobicContact CD2-CB 4.17Å; Y122-C126 HydrophobicContact CD1-CB 4.27Å; Y122-C126 HydrophobicContact CE1-CB 4.31Å; Y122-C126 VanDerWaalsContact O-CB 3.25Å; Y122-C126 WeakPolarHBondContact O-CB 3.32Å; Y122-C126 PolarHBondContact O-N 2.82Å; V124-C126 PolarHBondContact O-N 3.3Å; C126-R128 VanDerWaalsContact C-N 3.34Å; C126-R128 PolarHBondContact O-N 3.04Å; C126-M129 PolarHBondContact O-N 3.14Å; C126-I130 VanDerWaalsContact O-CG1 3.29Å; C126-I130 WeakPolarHBondContact O-CG1 3.25Å; C126-I130 PolarHBondContact O-N 3.3Å
127L98.4Very high96.9Very high2 Ų28.2 Ų8.21%0.014%0.043CC..Hα-helixtrans-65.2-37.4176.9-56.4-171.6000112.1V124 L125 G131 Q179 T386 W389 F414 W418V124-L127 PolarHBondContact O-N 2.93Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 3.02Å; L127-G131 PolarHBondContact O-N 2.87Å; L127-Q179 HydrophobicContact CB-CG 4.27Å; L127-Q179 HydrophobicContact CD1-CG 4.5Å; L127-Q179 PolarHBondContact O-NE2 3.34Å; L127-Q179 VanDerWaalsContact O-NE2 3.09Å; L127-T386 HydrophobicContact CD1-CG2 3.9Å; L127-W389 HydrophobicContact CB-CD2 4.22Å; L127-W389 HydrophobicContact CB-CZ2 4.16Å; L127-W389 HydrophobicContact CD1-CD2 4.45Å; L127-W389 HydrophobicContact CD1-CE3 4.45Å; L127-W389 HydrophobicContact CD2-CD2 4.26Å; L127-W389 HydrophobicContact CD2-CE3 3.93Å; L127-W389 HydrophobicContact CD2-CH2 3.7Å; L127-W389 HydrophobicContact CD2-CZ2 4Å; L127-W389 HydrophobicContact CD2-CZ3 3.66Å; L127-W389 PolarHBondContact O-NE1 3.22Å; L127-F414 HydrophobicContact CD2-CE1 3.92Å; L127-F414 HydrophobicContact CD2-CZ 3.73Å; L127-W418 HydrophobicContact CD1-CH2 4.26Å; L127-W418 HydrophobicContact CD1-CZ2 3.64Å; L127-W418 HydrophobicContact CG-CZ2 4.08Å
128R97.9Very high97.1Very high2 Ų27.3 Ų7.31%0.0084%0.038CC..Hα-helixtrans-63.5-45.9176.7-76-176.4-179.4165.74111.9V124 L125 C126 G131 L132 F167 S168 P178V124-R128 WeakPolarHBondContact O-CG 3.39Å; V124-R128 PolarHBondContact O-N 3.28Å; V124-R128 VanDerWaalsContact O-N 3.11Å; L125-R128 CarbonylContact O-C 3.6Å; L125-R128 WeakPolarHBondContact O-CA 3.22Å; L125-R128 WeakPolarHBondContact O-CB 3.34Å; L125-R128 PolarHBondContact O-N 3.36Å; C126-R128 VanDerWaalsContact C-N 3.34Å; C126-R128 PolarHBondContact O-N 3.04Å; R128-G131 PolarHBondContact O-N 3.12Å; R128-L132 VanDerWaalsContact O-CB 3.23Å; R128-L132 WeakPolarHBondContact O-CB 3.34Å; R128-L132 PolarHBondContact O-N 3.42Å; R128-F167 HydrophobicContact CB-CE1 3.67Å; R128-F167 HydrophobicContact CB-CZ 3.86Å; R128-F167 HydrophobicContact CG-CE1 3.88Å; R128-F167 HydrophobicContact CG-CE2 4.4Å; R128-F167 HydrophobicContact CG-CZ 3.6Å; R128-F167 PolarHBondContact NH1-O 3.18Å; R128-S168 PolarHBondContact NH1-O 2.75Å; R128-P178 PolarHBondContact NH2-O 2.98Å
129M98.4Very high97.1Very high0 Ų07.6 Ų7.60%04%0.042CC..Hα-helixtrans-67.2-45-178.8-69.4-52.795.900111.5I74 T77 N98 L125 C126 L132 S133 T164 F167I74-M129 HydrophobicContact CG1-SD 4.23Å; T77-M129 HydrophobicContact CG2-CB 3.99Å; T77-M129 HydrophobicContact CG2-CG 4.48Å; T77-M129 HydrophobicContact CG2-SD 4.23Å; N98-M129 WeakPolarHBondContact OD1-CB 3.43Å; L125-M129 HydrophobicContact CD1-CE 3.87Å; L125-M129 HydrophobicContact CD1-CG 4.03Å; L125-M129 HydrophobicContact CD1-SD 4.34Å; L125-M129 HydrophobicContact CG-CG 4.04Å; L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 3.45Å; C126-M129 PolarHBondContact O-N 3.14Å; M129-L132 HydrophobicContact CE-CD2 4.42Å; M129-L132 PolarHBondContact O-N 3.21Å; M129-S133 PolarHBondContact O-N 3.41Å; M129-S133 VanDerWaalsContact O-N 3.11Å; M129-S133 PolarHBondContact O-OG 2.74Å; M129-T164 HydrophobicContact CE-CG2 4.41Å; M129-F167 HydrophobicContact CE-CE1 4.35Å
130I98.6Very high97Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-63-45.4174.6-66.1166.9000111A94 F95 N98 C126 L132 S133 W134 W389A94-I130 WeakPolarHBondContact O-CG1 3.38Å; F95-I130 HydrophobicContact CD1-CD1 3.75Å; F95-I130 HydrophobicContact CD1-CG1 4.24Å; F95-I130 HydrophobicContact CD1-CG2 3.74Å; F95-I130 HydrophobicContact CD2-CG2 3.93Å; F95-I130 HydrophobicContact CE1-CD1 4.22Å; F95-I130 HydrophobicContact CE1-CG2 3.48Å; F95-I130 VanDerWaalsContact CE1-CG2 3.48Å; F95-I130 HydrophobicContact CE2-CG2 3.72Å; F95-I130 HydrophobicContact CG-CD1 4.33Å; F95-I130 HydrophobicContact CG-CG1 4.4Å; F95-I130 HydrophobicContact CG-CG2 3.95Å; F95-I130 HydrophobicContact CZ-CG2 3.47Å; F95-I130 VanDerWaalsContact CZ-CG2 3.47Å; N98-I130 HydrophobicContact CB-CD1 4.48Å; N98-I130 HydrophobicContact CB-CG1 4.39Å; C126-I130 VanDerWaalsContact O-CG1 3.29Å; C126-I130 WeakPolarHBondContact O-CG1 3.25Å; C126-I130 PolarHBondContact O-N 3.3Å; I130-L132 PolarHBondContact O-N 3.07Å; I130-S133 PolarHBondContact O-N 3Å; I130-W134 PolarHBondContact O-N 3.23Å; I130-W134 VanDerWaalsContact O-N 3.08Å; I130-W389 HydrophobicContact CB-CH2 4.34Å; I130-W389 HydrophobicContact CB-CZ2 3.83Å; I130-W389 HydrophobicContact CG2-CH2 3.87Å; I130-W389 HydrophobicContact CG2-CZ2 3.59Å
131G98Very high97Very high3 Ų311.6 Ų11.63%0.0316%0.064CC..Hα-helixtrans-61.2-43.3177.800000112.3L127 R128 S133 W134 D135L127-G131 PolarHBondContact O-N 2.87Å; R128-G131 PolarHBondContact O-N 3.12Å; G131-S133 PolarHBondContact O-N 2.91Å; G131-W134 WeakPolarHBondContact O-CB 3.26Å; G131-W134 PolarHBondContact O-N 2.98Å; G131-D135 WeakPolarHBondContact O-CB 3.45Å; G131-D135 VanDerWaalsContact O-CG 3.25Å; G131-D135 PolarHBondContact O-N 2.89Å
132L97.9Very high96.8Very high2 Ų215 Ų151%0.019%0.086CC..Hα-helixtrans-58.9-45.7177177.264.1000111.6L78 R128 M129 I130 W134 D135 L136 L155 P159 T164 M182L78-L132 HydrophobicContact CD2-CD2 4.03Å; R128-L132 VanDerWaalsContact O-CB 3.23Å; R128-L132 WeakPolarHBondContact O-CB 3.34Å; R128-L132 PolarHBondContact O-N 3.42Å; M129-L132 HydrophobicContact CE-CD2 4.42Å; M129-L132 PolarHBondContact O-N 3.21Å; I130-L132 PolarHBondContact O-N 3.07Å; L132-W134 PolarHBondContact O-N 3.08Å; L132-D135 PolarHBondContact O-N 2.99Å; L132-L136 HydrophobicContact CD1-CD1 4.5Å; L132-L136 HydrophobicContact CG-CD1 4.36Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.35Å; L132-L155 HydrophobicContact CD1-CD1 3.39Å; L132-P159 HydrophobicContact CD1-CG 4.03Å; L132-T164 HydrophobicContact CD2-CG2 4.2Å; L132-M182 HydrophobicContact CD1-CB 4.05Å; L132-M182 HydrophobicContact CD1-CE 4.36Å; L132-M182 HydrophobicContact CD1-CG 4.32Å
133S98.2Very high96.5Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-62.4-41.5176.3-73.30000113.1N81 V91 A94 M129 I130 G131 Y137N81-S133 PolarHBondContact ND2-OG 3.33Å; N81-S133 WeakPolarHBondContact OD1-CA 3.45Å; N81-S133 WeakPolarHBondContact OD1-CB 3.47Å; N81-S133 PolarHBondContact OD1-OG 3.35Å; V91-S133 WeakPolarHBondContact CG2-O 3.49Å; A94-S133 WeakPolarHBondContact CB-OG 3.43Å; M129-S133 PolarHBondContact O-N 3.41Å; M129-S133 VanDerWaalsContact O-N 3.11Å; M129-S133 PolarHBondContact O-OG 2.74Å; I130-S133 PolarHBondContact O-N 3Å; G131-S133 PolarHBondContact O-N 2.91Å; S133-Y137 WeakPolarHBondContact O-CB 3.49Å; S133-Y137 PolarHBondContact O-N 3.26Å
134W97.5Very high96.3Very high36 Ų3624.8 Ų24.814%0.13614%0.141CC..Hα-helixtrans-62.4-44.6173.3-91.4119.3000112.6V91 F95 I130 G131 L132 L136 Y137 D138 Y393 R397V91-W134 HydrophobicContact CG1-CD2 3.66Å; V91-W134 VanDerWaalsContact CG1-CE2 3.42Å; V91-W134 HydrophobicContact CG1-CE3 4.14Å; V91-W134 HydrophobicContact CG1-CG 4.08Å; V91-W134 HydrophobicContact CG1-CH2 4.12Å; V91-W134 HydrophobicContact CG1-CZ2 3.68Å; V91-W134 HydrophobicContact CG1-CZ3 4.34Å; V91-W134 HydrophobicContact CG2-CD2 4.41Å; V91-W134 HydrophobicContact CG2-CE3 4.36Å; F95-W134 AromaticContact CE2-CD1 3.92Å; F95-W134 AromaticContact CE2-CE2 3.81Å; F95-W134 HydrophobicContact CE2-CZ2 4.1Å; F95-W134 AromaticContact CE2-NE1 3.06Å; F95-W134 AromaticContact CZ-NE1 3.39Å; I130-W134 PolarHBondContact O-N 3.23Å; I130-W134 VanDerWaalsContact O-N 3.08Å; G131-W134 WeakPolarHBondContact O-CB 3.26Å; G131-W134 PolarHBondContact O-N 2.98Å; L132-W134 PolarHBondContact O-N 3.08Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 3.39Å; W134-Y137 AromaticContact CE3-CD1 3.77Å; W134-Y137 HydrophobicContact CE3-CD1 3.77Å; W134-Y137 AromaticContact CZ3-CD1 3.6Å; W134-Y137 HydrophobicContact CZ3-CD1 3.6Å; W134-Y137 AromaticContact CZ3-CE1 3.91Å; W134-Y137 HydrophobicContact CZ3-CE1 3.91Å; W134-Y137 CarbonylContact O-C 3.57Å; W134-Y137 PolarHBondContact O-N 3.4Å; W134-Y137 VanDerWaalsContact O-N 3.17Å; W134-D138 WeakPolarHBondContact O-CB 3.35Å; W134-D138 VanDerWaalsContact O-CG 3.23Å; W134-D138 PolarHBondContact O-N 3.23Å; W134-Y393 HydrophobicContact CB-CD1 3.41Å; W134-Y393 VanDerWaalsContact CB-CD1 3.41Å; W134-Y393 HydrophobicContact CB-CE1 3.56Å; W134-Y393 AromaticContact CD1-CD1 3.57Å; W134-Y393 AromaticContact CG-CD1 3.58Å; W134-Y393 HydrophobicContact CG-CD1 3.58Å; W134-Y393 HydrophobicContact CG-CE1 4.25Å; W134-Y393 PolarHBondContact NE1-O 3.23Å; W134-R397 HydrophobicContact CH2-CB 4.14Å; W134-R397 HydrophobicContact CH2-CG 4.04Å; W134-R397 HydrophobicContact CZ2-CB 3.91Å; W134-R397 HydrophobicContact CZ2-CG 3.76Å
135D97.9Very high96Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-64.3-38.7-178-72.4-20000111.3G131 L132 A139 S153 A154 L155 Y393G131-D135 WeakPolarHBondContact O-CB 3.45Å; G131-D135 VanDerWaalsContact O-CG 3.25Å; G131-D135 PolarHBondContact O-N 2.89Å; L132-D135 PolarHBondContact O-N 2.99Å; D135-A139 PolarHBondContact O-N 2.81Å; D135-S153 WeakPolarHBondContact CB-O 3.27Å; D135-S153 WeakPolarHBondContact OD1-CB 3.46Å; D135-S153 PolarHBondContact OD1-OG 2.93Å; D135-A154 WeakPolarHBondContact O-CA 3.31Å; D135-L155 HydrophobicContact CB-CD1 3.94Å; D135-L155 HydrophobicContact CB-CG 3.98Å; D135-L155 PolarHBondContact O-N 3.23Å; D135-Y393 VanDerWaalsContact CG-OH 3.27Å; D135-Y393 WeakPolarHBondContact OD1-CE1 2.86Å; D135-Y393 PolarHBondContact OD1-OH 3.27Å; D135-Y393 PolarHBondContact OD2-OH 3.41Å
136L97.4Very high95.6Very high3 Ų332.4 Ų32.42%0.01617%0.174CC..Hα-helixtrans-63.4-49.4169.7-71.8168.4000110.8N81 H86 L132 W134 D138 A139 L155 F158N81-L136 HydrophobicContact CB-CD1 3.99Å; H86-L136 PolarHBondContact ND1-O 2.89Å; L132-L136 HydrophobicContact CD1-CD1 4.5Å; L132-L136 HydrophobicContact CG-CD1 4.36Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.35Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 3.39Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 3.41Å; L136-A139 WeakPolarHBondContact O-CB 3.45Å; L136-A139 PolarHBondContact O-N 3.3Å; L136-L155 HydrophobicContact CD2-CB 3.89Å; L136-L155 HydrophobicContact CD2-CD1 4.43Å; L136-L155 HydrophobicContact CG-CB 4.4Å; L136-L155 HydrophobicContact CG-CD1 4.4Å; L136-F158 HydrophobicContact CD1-CD2 4.05Å; L136-F158 HydrophobicContact CD1-CE2 3.99Å; L136-F158 HydrophobicContact CD2-CD2 4.23Å
137Y96.7Very high95.2Very high24 Ų2434.8 Ų34.89%0.09419%0.191CC..Hα-helixtrans-59.3-41.4178.6173.6-108.6000112.9H86 S87 R88 V91 S133 W134 A139 S140H86-Y137 VanDerWaalsContact O-CD2 3.31Å; H86-Y137 WeakPolarHBondContact O-CD2 3.22Å; S87-Y137 VanDerWaalsContact C-CD2 3.49Å; R88-Y137 HydrophobicContact CG-CD2 4.26Å; R88-Y137 HydrophobicContact CG-CE1 4.23Å; R88-Y137 HydrophobicContact CG-CE2 3.53Å; R88-Y137 PolarHBondContact NE-OH 3.06Å; V91-Y137 HydrophobicContact CG2-CG 4.07Å; S133-Y137 WeakPolarHBondContact O-CB 3.49Å; S133-Y137 PolarHBondContact O-N 3.26Å; W134-Y137 AromaticContact CE3-CD1 3.77Å; W134-Y137 HydrophobicContact CE3-CD1 3.77Å; W134-Y137 AromaticContact CZ3-CD1 3.6Å; W134-Y137 HydrophobicContact CZ3-CD1 3.6Å; W134-Y137 AromaticContact CZ3-CE1 3.91Å; W134-Y137 HydrophobicContact CZ3-CE1 3.91Å; W134-Y137 CarbonylContact O-C 3.57Å; W134-Y137 PolarHBondContact O-N 3.4Å; W134-Y137 VanDerWaalsContact O-N 3.17Å; Y137-A139 PolarHBondContact O-N 2.95Å; Y137-S140 VanDerWaalsContact O-CB 3.22Å; Y137-S140 WeakPolarHBondContact O-CB 3.14Å; Y137-S140 PolarHBondContact O-N 3.39Å; Y137-S140 PolarHBondContact O-OG 3.48Å
138D96.2Very high94.6Very high0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-65.2-22.8-178-75.7-36.1000113.1W134 L136 S140 K141 R146 Q150 A154 R397W134-D138 WeakPolarHBondContact O-CB 3.35Å; W134-D138 VanDerWaalsContact O-CG 3.23Å; W134-D138 PolarHBondContact O-N 3.23Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 3.41Å; D138-S140 PolarHBondContact O-N 3.45Å; D138-K141 PolarHBondContact O-N 3.31Å; D138-R146 PolarHBondContact O-NE 2.83Å; D138-R146 VanDerWaalsContact O-NE 3.14Å; D138-Q150 HydrophobicContact CB-CB 4.46Å; D138-Q150 HydrophobicContact CB-CG 4.33Å; D138-Q150 VanDerWaalsContact CG-NE2 3.34Å; D138-Q150 PolarHBondContact OD1-NE2 3.48Å; D138-Q150 WeakPolarHBondContact OD2-CG 3.46Å; D138-A154 HydrophobicContact CB-CB 4.14Å; D138-R397 VanDerWaalsContact CG-NH1 3.34Å; D138-R397 IonicContact OD1-CZ 3.65Å; D138-R397 IonicContact OD1-NH1 2.91Å; D138-R397 PolarHBondContact OD1-NH1 3.04Å; D138-R397 IonicContact OD1-NH2 2.61Å; D138-R397 IonicContact OD2-CZ 3.92Å; D138-R397 VanDerWaalsContact OD2-CZ 3.27Å; D138-R397 IonicContact OD2-NH1 2.61Å; D138-R397 PolarHBondContact OD2-NH1 2.86Å; D138-R397 IonicContact OD2-NH2 3.58Å; D138-R397 PolarHBondContact OD2-NH2 2.89Å
139A94.7Very high94.1Very high14 Ų1441 Ų4112%0.11623%0.229CC..THydrogen-bonded Turntrans-68.9-18.2172.900000113.7D135 L136 Y137 K141 R146 A154 L155D135-A139 PolarHBondContact O-N 2.81Å; L136-A139 WeakPolarHBondContact O-CB 3.45Å; L136-A139 PolarHBondContact O-N 3.3Å; Y137-A139 PolarHBondContact O-N 2.95Å; A139-K141 PolarHBondContact O-N 3Å; A139-R146 PolarHBondContact O-NH2 2.89Å; A139-A154 HydrophobicContact CB-CB 4.41Å; A139-L155 VanDerWaalsContact CB-C 3.43Å; A139-L155 WeakPolarHBondContact CB-O 3.05Å
140S93.6Very high93.9Very high59 Ų5941.7 Ų41.741%0.41323%0.233SC..THydrogen-bonded Turntrans-63.4-25.9172.966.40000113.4Y137 D138Y137-S140 VanDerWaalsContact O-CB 3.22Å; Y137-S140 WeakPolarHBondContact O-CB 3.14Å; Y137-S140 PolarHBondContact O-N 3.39Å; Y137-S140 PolarHBondContact O-OG 3.48Å; D138-S140 PolarHBondContact O-N 3.45Å
141K91.5Very high93.5Very high61 Ų6146.4 Ų46.427%0.26525%0.253SS..SBendtrans-86.7143.9-176.2-59.8178.5-177.2171.70110D138 A139 R146D138-K141 PolarHBondContact O-N 3.31Å; A139-K141 PolarHBondContact O-N 3Å; K141-R146 HydrophobicContact CB-CG 4.31Å; K141-R146 PolarHBondContact O-NE 3.37Å; K141-R146 PolarHBondContact O-NH2 3.47Å
142P92.1Very high93.1Very high72 Ų7253 Ų5347%0.46828%0.281SS..  trans-56145.1168.7-23.133.2000111.3S144 Q145P142-S144 PolarHBondContact O-N 2.91Å; P142-Q145 PolarHBondContact O-N 3.34Å
143E90.5Very high92.9Very high124 Ų12453.3 Ų53.358%0.57928%0.284SS*.G310 helixtrans-58.8-34.1-176.2-169.3178.9160.600112.7Q145 R146 K151E143-Q145 PolarHBondContact O-N 3.25Å; E143-R146 WeakPolarHBondContact O-CB 3.27Å; E143-R146 PolarHBondContact O-N 3.07Å; E143-R146 VanDerWaalsContact O-N 3.08Å; E143-K151 HydrophobicContact CG-CD 4.22Å; E143-K151 HydrophobicContact CG-CG 4.16Å; E143-K151 WeakPolarHBondContact O-CE 3.4Å
144S91.9Very high92.8Very high103 Ų10353.9 Ų53.972%0.7229%0.288SS*.G310 helixtrans-58.9-28.7176.656.50000113.8P142P142-S144 PolarHBondContact O-N 2.91Å
145Q90.6Very high92.7Very high138 Ų13852.3 Ų52.365%0.64528%0.282SS*.G310 helixtrans-93.3-3.7-179.5-60.2179.810.800113.1P142 E143P142-Q145 PolarHBondContact O-N 3.34Å; E143-Q145 PolarHBondContact O-N 3.25Å
146R91.6Very high92.4Very high37 Ų3756.3 Ų56.314%0.1431%0.31CS..SBendtrans-83.9136.8-179.7-65.1179.8-163.5166.53110.8D138 A139 K141 E143 Q150 K151D138-R146 PolarHBondContact O-NE 2.83Å; D138-R146 VanDerWaalsContact O-NE 3.14Å; A139-R146 PolarHBondContact O-NH2 2.89Å; K141-R146 HydrophobicContact CB-CG 4.31Å; K141-R146 PolarHBondContact O-NE 3.37Å; K141-R146 PolarHBondContact O-NH2 3.47Å; E143-R146 WeakPolarHBondContact O-CB 3.27Å; E143-R146 PolarHBondContact O-N 3.07Å; E143-R146 VanDerWaalsContact O-N 3.08Å; R146-Q150 HydrophobicContact CB-CB 3.91Å; R146-Q150 HydrophobicContact CG-CB 4.35Å; R146-K151 HydrophobicContact CB-CG 3.69Å; R146-K151 VanDerWaalsContact O-CE 3.28Å; R146-K151 WeakPolarHBondContact O-CE 3.49Å
147S89.3Confident92.2Very high50 Ų5064.6 Ų64.635%0.3535%0.346SS..  trans-66.2164.816868.60000111.8S149 Q150 K151S147-S149 VanDerWaalsContact C-N 3.27Å; S147-S149 PolarHBondContact O-N 3.04Å; S147-Q150 VanDerWaalsContact CB-OE1 3.3Å; S147-Q150 PolarHBondContact O-N 3.04Å; S147-Q150 VanDerWaalsContact O-N 3.12Å; S147-Q150 WeakPolarHBondContact OG-CG 3.17Å; S147-Q150 PolarHBondContact OG-OE1 3.45Å; S147-K151 WeakPolarHBondContact O-CG 3.3Å; S147-K151 PolarHBondContact O-N 2.92Å
148V86.2Confident92.1Very high112 Ų11267 Ų6768%0.67936%0.357SS*.Hα-helixtrans-56.2-38.6-178.2-179.40000112.8K152V148-K152 WeakPolarHBondContact O-CG 3.47Å
149S87.8Confident92Very high22 Ų2267.2 Ų67.215%0.15436%0.359CS..Hα-helixtrans-71.1-43.217742.70000111.8S147 K151 K152 S153 D392S147-S149 VanDerWaalsContact C-N 3.27Å; S147-S149 PolarHBondContact O-N 3.04Å; S149-K151 VanDerWaalsContact C-N 3.34Å; S149-K151 PolarHBondContact O-N 3.5Å; S149-K152 WeakPolarHBondContact O-CB 3.19Å; S149-K152 PolarHBondContact O-N 3Å; S149-S153 PolarHBondContact O-N 2.89Å; S149-S153 VanDerWaalsContact O-N 3.1Å; S149-S153 PolarHBondContact O-OG 3.39Å; S149-D392 VanDerWaalsContact CB-CG 3.49Å; S149-D392 WeakPolarHBondContact CB-OD1 3.3Å; S149-D392 WeakPolarHBondContact CB-OD2 3.46Å; S149-D392 PolarHBondContact OG-OD1 2.97Å
150Q93.4Very high92Very high15 Ų1568.4 Ų68.47%0.0737%0.372CS..Hα-helixtrans-60.5-40.5177.1-69.3170.3-61.600112.5D138 R146 S147 K152 S153 A154D138-Q150 HydrophobicContact CB-CB 4.46Å; D138-Q150 HydrophobicContact CB-CG 4.33Å; D138-Q150 VanDerWaalsContact CG-NE2 3.34Å; D138-Q150 PolarHBondContact OD1-NE2 3.48Å; D138-Q150 WeakPolarHBondContact OD2-CG 3.46Å; R146-Q150 HydrophobicContact CB-CB 3.91Å; R146-Q150 HydrophobicContact CG-CB 4.35Å; S147-Q150 VanDerWaalsContact CB-OE1 3.3Å; S147-Q150 PolarHBondContact O-N 3.04Å; S147-Q150 VanDerWaalsContact O-N 3.12Å; S147-Q150 WeakPolarHBondContact OG-CG 3.17Å; S147-Q150 PolarHBondContact OG-OE1 3.45Å; Q150-K152 PolarHBondContact O-N 2.86Å; Q150-S153 PolarHBondContact O-N 2.99Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.46Å
151K91.4Very high92.2Very high100 Ų10069.5 Ų69.544%0.43538%0.376SS..Hα-helixtrans-59.3-32.8175.3-69.9-175.2179-1670112.6E143 R146 S147 S149E143-K151 HydrophobicContact CG-CD 4.22Å; E143-K151 HydrophobicContact CG-CG 4.16Å; E143-K151 WeakPolarHBondContact O-CE 3.4Å; R146-K151 HydrophobicContact CB-CG 3.69Å; R146-K151 VanDerWaalsContact O-CE 3.28Å; R146-K151 WeakPolarHBondContact O-CE 3.49Å; S147-K151 WeakPolarHBondContact O-CG 3.3Å; S147-K151 PolarHBondContact O-N 2.92Å; S149-K151 VanDerWaalsContact C-N 3.34Å; S149-K151 PolarHBondContact O-N 3.5Å
152K88.5Confident92.5Very high141 Ų14169.6 Ų69.661%0.61338%0.379SS*.Hα-helixtrans-82.2-28-179-68.4-175.2179.5-159.90113.7V148 S149 Q150 R183V148-K152 WeakPolarHBondContact O-CG 3.47Å; S149-K152 WeakPolarHBondContact O-CB 3.19Å; S149-K152 PolarHBondContact O-N 3Å; Q150-K152 PolarHBondContact O-N 2.86Å; K152-R183 WeakPolarHBondContact O-CG 3.44Å
153S93.9Very high92.8Very high9 Ų967.6 Ų67.66%0.06336%0.364CS..Hα-helixtrans-110.2-22.9-172.969.60000114.6D135 S149 Q150D135-S153 WeakPolarHBondContact CB-O 3.27Å; D135-S153 WeakPolarHBondContact OD1-CB 3.46Å; D135-S153 PolarHBondContact OD1-OG 2.93Å; S149-S153 PolarHBondContact O-N 2.89Å; S149-S153 VanDerWaalsContact O-N 3.1Å; S149-S153 PolarHBondContact O-OG 3.39Å; Q150-S153 PolarHBondContact O-N 2.99Å
154A96.3Very high93.2Very high11 Ų1161.7 Ų61.79%0.09134%0.336CS..  trans-56.5138.3-174.500000112.9D135 D138 A139 Q150D135-A154 WeakPolarHBondContact O-CA 3.31Å; D138-A154 HydrophobicContact CB-CB 4.14Å; A139-A154 HydrophobicContact CB-CB 4.41Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.46Å
155L96Very high93.5Very high4 Ų457.5 Ų57.52%0.02131%0.305CS..  trans-113.8100.6-175.8-65.6170.5000110.5L132 D135 L136 A139 K157 M182 R183L132-L155 HydrophobicContact CD1-CD1 3.39Å; D135-L155 HydrophobicContact CB-CD1 3.94Å; D135-L155 HydrophobicContact CB-CG 3.98Å; D135-L155 PolarHBondContact O-N 3.23Å; L136-L155 HydrophobicContact CD2-CB 3.89Å; L136-L155 HydrophobicContact CD2-CD1 4.43Å; L136-L155 HydrophobicContact CG-CB 4.4Å; L136-L155 HydrophobicContact CG-CD1 4.4Å; A139-L155 VanDerWaalsContact CB-C 3.43Å; A139-L155 WeakPolarHBondContact CB-O 3.05Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.41Å; L155-M182 HydrophobicContact CD1-CB 3.81Å; L155-M182 HydrophobicContact CD1-CG 3.94Å; L155-M182 HydrophobicContact CD2-CB 4.35Å; L155-M182 HydrophobicContact CD2-CG 4.15Å; L155-R183 HydrophobicContact CD2-CB 4.3Å
156S91.7Very high93.9Very high84 Ų8450.9 Ų50.959%0.58728%0.275SS*.SBendtrans-72-22.7175.6-500000113.3
157K92Very high94.2Very high176 Ų17649.2 Ų49.277%0.76527%0.268SS*.SBendtrans-114.4136177.7-67.4-174.3178.7-1770109.3L155L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.41Å
158F94.1Very high94.7Very high75 Ų7546.9 Ų46.933%0.32925%0.252SS..PPolyproline II helixtrans-65.5129.2174.5-163.6-85.4000109.8L78 N81 L136L78-F158 HydrophobicContact CD2-CE1 4.04Å; L78-F158 HydrophobicContact CD2-CZ 3.83Å; N81-F158 HydrophobicContact CB-CE2 3.78Å; N81-F158 HydrophobicContact CB-CZ 4.35Å; L136-F158 HydrophobicContact CD1-CD2 4.05Å; L136-F158 HydrophobicContact CD1-CE2 3.99Å; L136-F158 HydrophobicContact CD2-CD2 4.23Å
159P94.7Very high95.3Very high5 Ų541.6 Ų41.63%0.03222%0.22CC..PPolyproline II helixtrans-70.8151.5-177.230.5-36.7000111.7L132 E163 M182L132-P159 HydrophobicContact CD1-CG 4.03Å; P159-E163 WeakPolarHBondContact CA-OE2 3.25Å; P159-E163 WeakPolarHBondContact CB-OE2 3.24Å; P159-M182 HydrophobicContact CB-CE 4.14Å; P159-M182 HydrophobicContact CG-CE 4.37Å
160G95.2Very high95.8Very high38 Ų3840.5 Ų40.539%0.39221%0.212SC..PPolyproline II helixtrans-66.2156.5175.800000112E163 T164G160-E163 PolarHBondContact N-OE2 3.35Å; G160-E163 PolarHBondContact O-N 2.81Å; G160-T164 PolarHBondContact O-N 3.43Å; G160-T164 PolarHBondContact O-OG1 3.41Å
161V97.6Very high96Very high82 Ų8240 Ų4050%0.49721%0.211SC..Hα-helixtrans-60.5-50.6176.5176.40000110.8F75 E163 T164 L165F75-V161 HydrophobicContact CE1-CG1 3.84Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 3.3Å; V161-T164 PolarHBondContact O-N 3.4Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.43Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 3.12Å
162L98.3Very high96.2Very high63 Ų6335.5 Ų35.533%0.3319%0.191SC..Hα-helixtrans-62.1-37.5178.8178.861.4000112.5H48 F52 L165 A166H48-L162 HydrophobicContact CB-CD1 4.44Å; H48-L162 HydrophobicContact CB-CD2 4.14Å; H48-L162 HydrophobicContact CB-CG 3.83Å; F52-L162 HydrophobicContact CD1-CD1 4.32Å; L162-L165 PolarHBondContact O-N 3.35Å; L162-A166 WeakPolarHBondContact O-CB 3.09Å; L162-A166 PolarHBondContact O-N 3.02Å
163E98.3Very high96.6Very high31 Ų3128.8 Ų28.815%0.14516%0.162CC..Hα-helixtrans-63-45.9174.5176.7-176.5-154.600110.9P159 G160 V161 L165 A166 F167 M182 F185 Q186P159-E163 WeakPolarHBondContact CA-OE2 3.25Å; P159-E163 WeakPolarHBondContact CB-OE2 3.24Å; G160-E163 PolarHBondContact N-OE2 3.35Å; G160-E163 PolarHBondContact O-N 2.81Å; V161-E163 VanDerWaalsContact C-N 3.31Å; V161-E163 PolarHBondContact O-N 3.3Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 3.47Å; E163-A166 PolarHBondContact O-N 3.03Å; E163-F167 WeakPolarHBondContact O-CB 3.43Å; E163-F167 PolarHBondContact O-N 2.89Å; E163-M182 HydrophobicContact CG-SD 4.16Å; E163-F185 HydrophobicContact CG-CE1 4.42Å; E163-Q186 WeakPolarHBondContact OE1-CG 3.33Å; E163-Q186 PolarHBondContact OE1-NE2 3.48Å
164T98.5Very high96.8Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-66.5-36.6178.8-55.20000112.3I74 L78 M129 L132 G160 V161 S168 M182I74-T164 HydrophobicContact CG2-CG2 4.13Å; L78-T164 HydrophobicContact CD1-CG2 3.87Å; L78-T164 HydrophobicContact CD2-CG2 4.04Å; L78-T164 HydrophobicContact CG-CG2 4.21Å; M129-T164 HydrophobicContact CE-CG2 4.41Å; L132-T164 HydrophobicContact CD2-CG2 4.2Å; G160-T164 PolarHBondContact O-N 3.43Å; G160-T164 PolarHBondContact O-OG1 3.41Å; V161-T164 PolarHBondContact O-N 3.4Å; T164-S168 VanDerWaalsContact O-CB 3.25Å; T164-S168 WeakPolarHBondContact O-CB 3.48Å; T164-S168 PolarHBondContact O-N 3.18Å; T164-S168 PolarHBondContact O-OG 3.27Å; T164-M182 HydrophobicContact CG2-CE 4.41Å
165L98.8Very high96.8Very high14 Ų1428.1 Ų28.17%0.07316%0.156CC..Hα-helixtrans-64.3-46.1173-72.1174.1000111.4F52 F71 I74 F75 V161 L162 E163 F167 S168 F169F52-L165 HydrophobicContact CD2-CB 3.72Å; F52-L165 HydrophobicContact CE1-CD1 4.26Å; F52-L165 HydrophobicContact CE2-CB 3.82Å; F52-L165 HydrophobicContact CE2-CD1 4.28Å; F52-L165 HydrophobicContact CE2-CD2 4.07Å; F52-L165 HydrophobicContact CE2-CG 4.28Å; F52-L165 HydrophobicContact CG-CB 4.13Å; F52-L165 HydrophobicContact CZ-CB 4.32Å; F52-L165 HydrophobicContact CZ-CD1 3.99Å; F52-L165 HydrophobicContact CZ-CD2 4.4Å; F52-L165 HydrophobicContact CZ-CG 4.48Å; F71-L165 HydrophobicContact CD1-CD2 4.03Å; F71-L165 HydrophobicContact CE1-CD2 3.76Å; I74-L165 HydrophobicContact CD1-CD2 4.15Å; I74-L165 HydrophobicContact CG2-CD2 4.23Å; F75-L165 HydrophobicContact CZ-CD2 4.43Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.43Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.35Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 3.47Å; L165-F167 PolarHBondContact O-N 3.4Å; L165-S168 PolarHBondContact O-N 3.02Å; L165-F169 HydrophobicContact CD2-CE2 4.45Å; L165-F169 WeakPolarHBondContact O-CB 3.4Å; L165-F169 WeakPolarHBondContact O-CD2 3.23Å; L165-F169 PolarHBondContact O-N 3.24Å
166A98.7Very high96.5Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-63.8-40.3176.800000112.6H48 L51 F52 L162 E163 T170 F185H48-A166 HydrophobicContact CB-CB 3.84Å; H48-A166 WeakPolarHBondContact O-CB 3.21Å; L51-A166 HydrophobicContact CB-CB 4.35Å; F52-A166 HydrophobicContact CB-CB 4.3Å; L162-A166 WeakPolarHBondContact O-CB 3.09Å; L162-A166 PolarHBondContact O-N 3.02Å; E163-A166 PolarHBondContact O-N 3.03Å; A166-T170 WeakPolarHBondContact O-CA 3.31Å; A166-T170 PolarHBondContact O-N 2.86Å; A166-T170 PolarHBondContact O-OG1 3.16Å; A166-F185 HydrophobicContact CB-CE1 4.3Å; A166-F185 HydrophobicContact CB-CZ 3.83Å
167F98.6Very high96.5Very high2 Ų225.4 Ų25.41%0.00914%0.137CC..Hα-helixtrans-59.8-48.9172.2167.2-114.9000111.3R128 M129 E163 L165 F169 T170 F180 M182 F185R128-F167 HydrophobicContact CB-CE1 3.67Å; R128-F167 HydrophobicContact CB-CZ 3.86Å; R128-F167 HydrophobicContact CG-CE1 3.88Å; R128-F167 HydrophobicContact CG-CE2 4.4Å; R128-F167 HydrophobicContact CG-CZ 3.6Å; R128-F167 PolarHBondContact NH1-O 3.18Å; M129-F167 HydrophobicContact CE-CE1 4.35Å; E163-F167 WeakPolarHBondContact O-CB 3.43Å; E163-F167 PolarHBondContact O-N 2.89Å; L165-F167 PolarHBondContact O-N 3.4Å; F167-F169 PolarHBondContact O-N 2.96Å; F167-T170 PolarHBondContact O-N 3Å; F167-T170 PolarHBondContact O-OG1 3.46Å; F167-T170 VanDerWaalsContact O-OG1 3.09Å; F167-F180 HydrophobicContact CD2-CD2 4.34Å; F167-F180 AromaticContact CD2-CE2 3.82Å; F167-F180 HydrophobicContact CD2-CE2 3.82Å; F167-F180 AromaticContact CE2-CD2 3.78Å; F167-F180 HydrophobicContact CE2-CD2 3.78Å; F167-F180 AromaticContact CE2-CE2 3.66Å; F167-F180 HydrophobicContact CE2-CE2 3.66Å; F167-F180 WeakPolarHBondContact CE2-O 3.49Å; F167-F180 WeakPolarHBondContact CZ-O 3.32Å; F167-M182 HydrophobicContact CB-CE 3.61Å; F167-M182 HydrophobicContact CB-SD 4.01Å; F167-M182 HydrophobicContact CD1-CE 3.4Å; F167-M182 VanDerWaalsContact CD1-CE 3.4Å; F167-M182 HydrophobicContact CD1-SD 4.36Å; F167-M182 HydrophobicContact CD2-CE 4.35Å; F167-M182 HydrophobicContact CD2-SD 4.29Å; F167-M182 HydrophobicContact CE1-CE 4.1Å; F167-M182 HydrophobicContact CG-CE 3.53Å; F167-M182 HydrophobicContact CG-SD 3.98Å; F167-F185 HydrophobicContact CB-CD1 3.81Å; F167-F185 HydrophobicContact CB-CD2 4.46Å; F167-F185 HydrophobicContact CB-CE1 3.94Å; F167-F185 HydrophobicContact CB-CG 4.08Å; F167-F185 HydrophobicContact CB-CZ 4.33Å; F167-F185 HydrophobicContact CD2-CB 3.7Å; F167-F185 HydrophobicContact CD2-CD1 4.33Å; F167-F185 HydrophobicContact CD2-CD2 4.24Å; F167-F185 AromaticContact CD2-CG 3.84Å; F167-F185 HydrophobicContact CD2-CG 3.84Å; F167-F185 HydrophobicContact CE2-CB 4.31Å; F167-F185 HydrophobicContact CG-CG 4.44Å
168S98.5Very high96.6Very high1 Ų117.1 Ų17.11%0.00710%0.101CC..Hα-helixtrans-66.8-40.3-176.5-60.20000112.2I74 R128 T164 L165 F174I74-S168 VanDerWaalsContact CD1-CB 3.5Å; R128-S168 PolarHBondContact NH1-O 2.75Å; T164-S168 VanDerWaalsContact O-CB 3.25Å; T164-S168 WeakPolarHBondContact O-CB 3.48Å; T164-S168 PolarHBondContact O-N 3.18Å; T164-S168 PolarHBondContact O-OG 3.27Å; L165-S168 PolarHBondContact O-N 3.02Å; S168-F174 WeakPolarHBondContact O-CB 3.19Å
169F98.5Very high96.6Very high0 Ų013.9 Ų13.90%09%0.087CC..THydrogen-bonded Turntrans-10023-178.6-72.9-83.6000113.7F52 G55 V56 F59 I67 M70 F71 I74 L165 F167 P171F52-F169 HydrophobicContact CD2-CB 4.11Å; F52-F169 AromaticContact CD2-CD2 3.87Å; F52-F169 HydrophobicContact CD2-CD2 3.87Å; F52-F169 HydrophobicContact CD2-CG 4.22Å; F52-F169 AromaticContact CE2-CD2 3.72Å; F52-F169 HydrophobicContact CE2-CD2 3.72Å; F52-F169 HydrophobicContact CE2-CE2 4.07Å; F52-F169 HydrophobicContact CE2-CG 4.34Å; G55-F169 VanDerWaalsContact CA-O 3.24Å; G55-F169 WeakPolarHBondContact CA-O 3.36Å; V56-F169 HydrophobicContact CG2-CD1 4.38Å; V56-F169 HydrophobicContact CG2-CG 4.41Å; F59-F169 HydrophobicContact CB-CE1 4.24Å; F59-F169 AromaticContact CD2-CE1 3.95Å; F59-F169 HydrophobicContact CD2-CE1 3.95Å; F59-F169 HydrophobicContact CG-CE1 4.2Å; I67-F169 HydrophobicContact CD1-CE1 3.92Å; I67-F169 HydrophobicContact CD1-CZ 4.11Å; I67-F169 HydrophobicContact CG1-CE1 3.95Å; I67-F169 HydrophobicContact CG1-CZ 3.92Å; M70-F169 HydrophobicContact CB-CE1 4.21Å; M70-F169 HydrophobicContact CB-CE2 4.4Å; M70-F169 HydrophobicContact CB-CZ 3.59Å; M70-F169 HydrophobicContact CG-CE1 4.3Å; M70-F169 HydrophobicContact CG-CZ 4.17Å; F71-F169 HydrophobicContact CE1-CE2 4.12Å; F71-F169 HydrophobicContact CZ-CE2 4.35Å; F71-F169 HydrophobicContact CZ-CZ 4.38Å; I74-F169 HydrophobicContact CD1-CD2 4.25Å; I74-F169 HydrophobicContact CD1-CE2 3.65Å; I74-F169 HydrophobicContact CD1-CZ 4.48Å; L165-F169 HydrophobicContact CD2-CE2 4.45Å; L165-F169 WeakPolarHBondContact O-CB 3.4Å; L165-F169 WeakPolarHBondContact O-CD2 3.23Å; L165-F169 PolarHBondContact O-N 3.24Å; F167-F169 PolarHBondContact O-N 2.96Å; F169-P171 VanDerWaalsContact O-CD 3.3Å; F169-P171 WeakPolarHBondContact O-CD 3.25Å
170T98.1Very high96.6Very high0 Ų014 Ų140%09%0.087CC..  trans-53.3113.1178.9-67.90000110.7A166 F167 T172 A173 F174 F180 F185 L288A166-T170 WeakPolarHBondContact O-CA 3.31Å; A166-T170 PolarHBondContact O-N 2.86Å; A166-T170 PolarHBondContact O-OG1 3.16Å; F167-T170 PolarHBondContact O-N 3Å; F167-T170 PolarHBondContact O-OG1 3.46Å; F167-T170 VanDerWaalsContact O-OG1 3.09Å; T170-T172 PolarHBondContact O-N 3.29Å; T170-A173 HydrophobicContact CG2-CB 4.18Å; T170-A173 PolarHBondContact O-N 3.46Å; T170-F174 WeakPolarHBondContact O-CD1 3.49Å; T170-F174 PolarHBondContact O-N 2.79Å; T170-F180 HydrophobicContact CG2-CZ 4.31Å; T170-F185 WeakPolarHBondContact OG1-CE2 3.29Å; T170-L288 HydrophobicContact CG2-CD1 3.46Å; T170-L288 VanDerWaalsContact CG2-CD1 3.46Å
171P97.9Very high96.6Very high5 Ų514 Ų143%0.0328%0.081CC..THydrogen-bonded Turntrans-65.1-23.7-161.121.5-33.1000113.7I31 L51 C54 L58 F169I31-P171 HydrophobicContact CD1-CB 4.27Å; I31-P171 HydrophobicContact CG2-CB 4.21Å; I31-P171 HydrophobicContact CG2-CG 3.71Å; L51-P171 HydrophobicContact CD2-CG 4.17Å; L51-P171 WeakPolarHBondContact O-CD 3.44Å; C54-P171 HydrophobicContact CB-CB 4.2Å; C54-P171 HydrophobicContact CB-CG 4.13Å; L58-P171 HydrophobicContact CD1-CB 3.93Å; F169-P171 VanDerWaalsContact O-CD 3.3Å; F169-P171 WeakPolarHBondContact O-CD 3.25Å
172T97Very high96.6Very high4 Ų410.2 Ų10.23%0.0256%0.057CC..THydrogen-bonded Turntrans-86.5-9.8179.455.60000113.8A32 T170 S282 C283 I286A32-T172 HydrophobicContact CB-CG2 4.31Å; T170-T172 PolarHBondContact O-N 3.29Å; T172-S282 WeakPolarHBondContact CB-OG 3.39Å; T172-C283 PolarHBondContact O-SG 3.27Å; T172-C283 PolarHBondContact OG1-SG 3.03Å; T172-I286 HydrophobicContact CG2-CB 4.47Å; T172-I286 HydrophobicContact CG2-CD1 4.3Å; T172-I286 HydrophobicContact CG2-CG2 4.29Å
173A97.1Very high96.5Very high1 Ų113.4 Ų13.41%0.0087%0.065CC..THydrogen-bonded Turntrans-136.8-19.8-168.500000115.7T170 L175 G177 F180T170-A173 HydrophobicContact CG2-CB 4.18Å; T170-A173 PolarHBondContact O-N 3.46Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 2.96Å; A173-G177 WeakPolarHBondContact CA-O 3.38Å; A173-G177 CarbonylContact O-C 3.4Å; A173-G177 VanDerWaalsContact O-C 3.27Å; A173-G177 WeakPolarHBondContact O-CA 3.46Å; A173-G177 PolarHBondContact O-N 3.15Å; A173-F180 HydrophobicContact CB-CE1 3.71Å; A173-F180 HydrophobicContact CB-CZ 4.22Å
174F97.4Very high96.3Very high1 Ų113.5 Ų13.50%0.0047%0.065CC..THydrogen-bonded Turntrans-70.4-26.6-171.284.3-87.8000113.9L58 F59 P121 S168 T170L58-F174 HydrophobicContact CB-CE1 4.06Å; L58-F174 HydrophobicContact CB-CZ 4.03Å; L58-F174 HydrophobicContact CD1-CE1 4.39Å; F59-F174 HydrophobicContact CB-CE2 4.04Å; F59-F174 HydrophobicContact CB-CZ 4.08Å; F59-F174 HydrophobicContact CD2-CD2 4.29Å; F59-F174 AromaticContact CD2-CE2 3.64Å; F59-F174 HydrophobicContact CD2-CE2 3.64Å; F59-F174 HydrophobicContact CG-CE2 4.3Å; P121-F174 WeakPolarHBondContact CA-O 3.39Å; P121-F174 HydrophobicContact CB-CD2 3.87Å; P121-F174 HydrophobicContact CB-CE2 4.17Å; S168-F174 WeakPolarHBondContact O-CB 3.19Å; T170-F174 WeakPolarHBondContact O-CD1 3.49Å; T170-F174 PolarHBondContact O-N 2.79Å
175L95.3Very high96.2Very high5 Ų513.5 Ų13.53%0.0267%0.065CC..THydrogen-bonded Turntrans-77.3-51.4-175.3-72.1167000112.9L21 M25 F63 P121 A173L21-L175 HydrophobicContact CD1-CB 4.13Å; L21-L175 HydrophobicContact CD1-CD1 4.03Å; L21-L175 HydrophobicContact CD1-CD2 4.04Å; L21-L175 HydrophobicContact CD1-CG 4.28Å; M25-L175 HydrophobicContact SD-CB 4.25Å; M25-L175 HydrophobicContact SD-CD1 4.29Å; F63-L175 HydrophobicContact CE2-CD2 3.71Å; F63-L175 HydrophobicContact CZ-CD2 4.28Å; P121-L175 HydrophobicContact CB-CD2 4.46Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 2.96Å
176T91.4Very high96.1Very high27 Ų2714.2 Ų14.217%0.1667%0.068CC..THydrogen-bonded Turntrans-125.59-171.259.10000113.1M25 I275 W276M25-T176 HydrophobicContact CE-CG2 4.35Å; M25-T176 WeakPolarHBondContact CE-OG1 3.48Å; M25-T176 HydrophobicContact SD-CG2 4.09Å; T176-I275 HydrophobicContact CG2-CG2 3.92Å; T176-W276 PolarHBondContact O-NE1 2.77Å
177G90.4Very high95.8Very high4 Ų415.1 Ų15.14%0.0418%0.075CC..  trans85.3-175-168.100000112.2A173A173-G177 WeakPolarHBondContact CA-O 3.38Å; A173-G177 CarbonylContact O-C 3.4Å; A173-G177 VanDerWaalsContact O-C 3.27Å; A173-G177 WeakPolarHBondContact O-CA 3.46Å; A173-G177 PolarHBondContact O-N 3.15Å
178P93.7Very high95.6Very high1 Ų115.7 Ų15.71%0.0068%0.078CC..  cis-77.5168.31234.4-40.4000114.5R128 F180 C361 N363 N385R128-P178 PolarHBondContact NH2-O 2.98Å; P178-F180 HydrophobicContact CG-CD1 4.31Å; P178-C361 HydrophobicContact CG-CB 3.61Å; P178-C361 WeakPolarHBondContact CG-O 3.23Å; P178-N363 WeakPolarHBondContact CA-ND2 3.3Å; P178-N363 VanDerWaalsContact CB-OD1 3.29Å; P178-N363 WeakPolarHBondContact CB-OD1 3.45Å; P178-N385 HydrophobicContact CB-CB 4.27Å
179Q94Very high95.4Very high8 Ų815.9 Ų15.94%0.0378%0.079CC..  trans-86140.1168.3173.955.8-2200111.4L127 N385 W389L127-Q179 HydrophobicContact CB-CG 4.27Å; L127-Q179 HydrophobicContact CD1-CG 4.5Å; L127-Q179 PolarHBondContact O-NE2 3.34Å; L127-Q179 VanDerWaalsContact O-NE2 3.09Å; Q179-N385 VanDerWaalsContact O-CB 3.26Å; Q179-N385 WeakPolarHBondContact O-CB 3.47Å; Q179-W389 HydrophobicContact CG-CB 4.05Å; Q179-W389 HydrophobicContact CG-CG 3.93Å
180F95.4Very high95Very high6 Ų620.6 Ų20.63%0.02610%0.104CC..  trans-155.1153.6174.549.2-97.2000110.8F167 T170 A173 P178 H184 F185 L288F167-F180 HydrophobicContact CD2-CD2 4.34Å; F167-F180 AromaticContact CD2-CE2 3.82Å; F167-F180 HydrophobicContact CD2-CE2 3.82Å; F167-F180 AromaticContact CE2-CD2 3.78Å; F167-F180 HydrophobicContact CE2-CD2 3.78Å; F167-F180 AromaticContact CE2-CE2 3.66Å; F167-F180 HydrophobicContact CE2-CE2 3.66Å; F167-F180 WeakPolarHBondContact CE2-O 3.49Å; F167-F180 WeakPolarHBondContact CZ-O 3.32Å; T170-F180 HydrophobicContact CG2-CZ 4.31Å; A173-F180 HydrophobicContact CB-CE1 3.71Å; A173-F180 HydrophobicContact CB-CZ 4.22Å; P178-F180 HydrophobicContact CG-CD1 4.31Å; F180-H184 HydrophobicContact CB-CB 4.4Å; F180-F185 HydrophobicContact CD2-CB 4.4Å; F180-F185 HydrophobicContact CE2-CB 4.08Å; F180-F185 HydrophobicContact CE2-CD2 4.17Å; F180-L288 HydrophobicContact CE2-CD2 4.31Å; F180-L288 HydrophobicContact CZ-CD1 4.28Å; F180-L288 HydrophobicContact CZ-CD2 4.24Å
181P96.3Very high94.4Very high40 Ų4022.5 Ų22.526%0.2612%0.123SC..  trans-74.9158.4-179.930.7-34.8000112R183 H184 F185P181-R183 PolarHBondContact O-N 3.15Å; P181-H184 HydrophobicContact CG-CB 3.97Å; P181-H184 WeakPolarHBondContact O-CB 3.5Å; P181-H184 PolarHBondContact O-N 2.85Å; P181-F185 PolarHBondContact O-N 3.42Å
182M97.1Very high93.7Very high1 Ų125.7 Ų25.71%0.00515%0.146CC..Hα-helixtrans-56.4-37.7177.1176.660.379.900112.1L132 L155 P159 E163 T164 F167 H184 F185 Q186L132-M182 HydrophobicContact CD1-CB 4.05Å; L132-M182 HydrophobicContact CD1-CE 4.36Å; L132-M182 HydrophobicContact CD1-CG 4.32Å; L155-M182 HydrophobicContact CD1-CB 3.81Å; L155-M182 HydrophobicContact CD1-CG 3.94Å; L155-M182 HydrophobicContact CD2-CB 4.35Å; L155-M182 HydrophobicContact CD2-CG 4.15Å; P159-M182 HydrophobicContact CB-CE 4.14Å; P159-M182 HydrophobicContact CG-CE 4.37Å; E163-M182 HydrophobicContact CG-SD 4.16Å; T164-M182 HydrophobicContact CG2-CE 4.41Å; F167-M182 HydrophobicContact CB-CE 3.61Å; F167-M182 HydrophobicContact CB-SD 4.01Å; F167-M182 HydrophobicContact CD1-CE 3.4Å; F167-M182 VanDerWaalsContact CD1-CE 3.4Å; F167-M182 HydrophobicContact CD1-SD 4.36Å; F167-M182 HydrophobicContact CD2-CE 4.35Å; F167-M182 HydrophobicContact CD2-SD 4.29Å; F167-M182 HydrophobicContact CE1-CE 4.1Å; F167-M182 HydrophobicContact CG-CE 3.53Å; F167-M182 HydrophobicContact CG-SD 3.98Å; M182-H184 PolarHBondContact O-N 3.33Å; M182-F185 CarbonylContact O-C 3.21Å; M182-F185 WeakPolarHBondContact O-CA 3.31Å; M182-F185 WeakPolarHBondContact O-CB 3.1Å; M182-F185 PolarHBondContact O-N 2.96Å; M182-F185 HydrophobicContact SD-CB 4.44Å; M182-F185 HydrophobicContact SD-CD1 4.01Å; M182-Q186 HydrophobicContact CG-CG 4.41Å; M182-Q186 PolarHBondContact O-N 3.05Å; M182-Q186 HydrophobicContact SD-CG 4.48Å
183R95.2Very high93Very high131 Ų13126.2 Ų26.249%0.49415%0.149SC..Hα-helixtrans-61.4-33178.7-166.661.5173.8163.33.9113K152 L155 P181 A187K152-R183 WeakPolarHBondContact O-CG 3.44Å; L155-R183 HydrophobicContact CD2-CB 4.3Å; P181-R183 PolarHBondContact O-N 3.15Å; R183-A187 WeakPolarHBondContact O-CB 3.15Å; R183-A187 PolarHBondContact O-N 3.45Å
184H94.7Very high92.1Very high33 Ų3328.8 Ų28.815%0.15316%0.158CC..Hα-helixtrans-69.4-39.4173.7-17381.9000111.3F180 P181 M182 A187 F188 L193 L288 C290 A360F180-H184 HydrophobicContact CB-CB 4.4Å; P181-H184 HydrophobicContact CG-CB 3.97Å; P181-H184 WeakPolarHBondContact O-CB 3.5Å; P181-H184 PolarHBondContact O-N 2.85Å; M182-H184 PolarHBondContact O-N 3.33Å; H184-A187 PolarHBondContact O-N 3.47Å; H184-F188 PolarHBondContact O-N 3.29Å; H184-L193 VanDerWaalsContact CE1-CD1 3.47Å; H184-L193 WeakPolarHBondContact CE1-CD1 3.46Å; H184-L288 PolarHBondContact NE2-O 2.98Å; H184-C290 PolarHBondContact CE1-O 2.84Å; H184-A360 VanDerWaalsContact CE1-CB 3.45Å; H184-A360 WeakPolarHBondContact CE1-CB 3.46Å
185F96.9Very high90.7Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-64.2-42.4173.5-178.2-100.7000112L51 E163 A166 F167 T170 F180 P181 M182 A187 F188 I189 L288L51-F185 HydrophobicContact CD1-CE2 4.04Å; L51-F185 HydrophobicContact CD1-CZ 4.02Å; E163-F185 HydrophobicContact CG-CE1 4.42Å; A166-F185 HydrophobicContact CB-CE1 4.3Å; A166-F185 HydrophobicContact CB-CZ 3.83Å; F167-F185 HydrophobicContact CB-CD1 3.81Å; F167-F185 HydrophobicContact CB-CD2 4.46Å; F167-F185 HydrophobicContact CB-CE1 3.94Å; F167-F185 HydrophobicContact CB-CG 4.08Å; F167-F185 HydrophobicContact CB-CZ 4.33Å; F167-F185 HydrophobicContact CD2-CB 3.7Å; F167-F185 HydrophobicContact CD2-CD1 4.33Å; F167-F185 HydrophobicContact CD2-CD2 4.24Å; F167-F185 AromaticContact CD2-CG 3.84Å; F167-F185 HydrophobicContact CD2-CG 3.84Å; F167-F185 HydrophobicContact CE2-CB 4.31Å; F167-F185 HydrophobicContact CG-CG 4.44Å; T170-F185 WeakPolarHBondContact OG1-CE2 3.29Å; F180-F185 HydrophobicContact CD2-CB 4.4Å; F180-F185 HydrophobicContact CE2-CB 4.08Å; F180-F185 HydrophobicContact CE2-CD2 4.17Å; P181-F185 PolarHBondContact O-N 3.42Å; M182-F185 CarbonylContact O-C 3.21Å; M182-F185 WeakPolarHBondContact O-CA 3.31Å; M182-F185 WeakPolarHBondContact O-CB 3.1Å; M182-F185 PolarHBondContact O-N 2.96Å; M182-F185 HydrophobicContact SD-CB 4.44Å; M182-F185 HydrophobicContact SD-CD1 4.01Å; F185-A187 PolarHBondContact O-N 3.04Å; F185-F188 HydrophobicContact CD2-CD1 4Å; F185-F188 HydrophobicContact CE2-CD1 4.07Å; F185-F188 HydrophobicContact CE2-CE1 4.17Å; F185-F188 VanDerWaalsContact O-CB 3.32Å; F185-F188 WeakPolarHBondContact O-CB 3.43Å; F185-F188 PolarHBondContact O-N 3.2Å; F185-F188 VanDerWaalsContact O-N 3.14Å; F185-I189 HydrophobicContact CD1-CG1 4.08Å; F185-I189 HydrophobicContact CE1-CD1 4.18Å; F185-I189 HydrophobicContact CE1-CG1 3.69Å; F185-I189 HydrophobicContact CE2-CD1 4.22Å; F185-I189 HydrophobicContact CE2-CG1 4.27Å; F185-I189 HydrophobicContact CZ-CD1 3.79Å; F185-I189 HydrophobicContact CZ-CG1 3.79Å; F185-I189 WeakPolarHBondContact O-CG1 3.26Å; F185-I189 PolarHBondContact O-N 2.96Å; F185-L288 HydrophobicContact CD2-CD2 4.38Å
186Q96Very high89.2Confident29 Ų2934 Ų3414%0.13619%0.19CC..Hα-helixtrans-57.6-48.8174.1-76.3178.2-17.200112E163 M182 F188 I189 D190E163-Q186 WeakPolarHBondContact OE1-CG 3.33Å; E163-Q186 PolarHBondContact OE1-NE2 3.48Å; M182-Q186 HydrophobicContact CG-CG 4.41Å; M182-Q186 PolarHBondContact O-N 3.05Å; M182-Q186 HydrophobicContact SD-CG 4.48Å; Q186-F188 PolarHBondContact O-N 3.47Å; Q186-I189 PolarHBondContact O-N 3.49Å; Q186-I189 VanDerWaalsContact O-N 3.11Å; Q186-D190 VanDerWaalsContact O-CG 3.25Å; Q186-D190 PolarHBondContact O-N 2.81Å
187A92.2Very high87.7Confident18 Ų1834.7 Ų34.715%0.14919%0.194CC..Hα-helixtrans-63.5-28.9177.500000112.9R183 H184 F185 D190 G191 S192 L193R183-A187 WeakPolarHBondContact O-CB 3.15Å; R183-A187 PolarHBondContact O-N 3.45Å; H184-A187 PolarHBondContact O-N 3.47Å; F185-A187 PolarHBondContact O-N 3.04Å; A187-D190 VanDerWaalsContact C-OD1 3.31Å; A187-D190 VanDerWaalsContact CA-OD1 3.29Å; A187-D190 WeakPolarHBondContact CA-OD1 3.46Å; A187-G191 CarbonylContact O-C 3.58Å; A187-G191 PolarHBondContact O-N 2.91Å; A187-S192 VanDerWaalsContact CA-OG 3.24Å; A187-S192 WeakPolarHBondContact CA-OG 3.14Å; A187-S192 VanDerWaalsContact CB-OG 3.29Å; A187-S192 WeakPolarHBondContact CB-OG 3.48Å; A187-S192 PolarHBondContact O-N 3.44Å; A187-S192 PolarHBondContact O-OG 3.15Å; A187-L193 HydrophobicContact CB-CD2 3.69Å; A187-L193 HydrophobicContact CB-CG 3.72Å; A187-L193 PolarHBondContact O-N 3.43Å; A187-L193 VanDerWaalsContact O-N 3.09Å
188F94.2Very high86.2Confident15 Ų1536.2 Ų36.27%0.06620%0.203CC..Hα-helixtrans-69.4-48.2171.9154.9-115.7000110.9Y35 L51 H184 F185 Q186 G191 L193 I286 L288Y35-F188 HydrophobicContact CD1-CE2 4.46Å; Y35-F188 HydrophobicContact CD1-CZ 4.18Å; Y35-F188 AromaticContact CE1-CE2 3.7Å; Y35-F188 HydrophobicContact CE1-CE2 3.7Å; Y35-F188 AromaticContact CE1-CZ 3.44Å; Y35-F188 HydrophobicContact CE1-CZ 3.44Å; Y35-F188 VanDerWaalsContact CE1-CZ 3.44Å; Y35-F188 AromaticContact CZ-CZ 3.63Å; L51-F188 HydrophobicContact CD1-CE1 3.77Å; L51-F188 HydrophobicContact CD1-CZ 4.36Å; H184-F188 PolarHBondContact O-N 3.29Å; F185-F188 HydrophobicContact CD2-CD1 4Å; F185-F188 HydrophobicContact CE2-CD1 4.07Å; F185-F188 HydrophobicContact CE2-CE1 4.17Å; F185-F188 VanDerWaalsContact O-CB 3.32Å; F185-F188 WeakPolarHBondContact O-CB 3.43Å; F185-F188 PolarHBondContact O-N 3.2Å; F185-F188 VanDerWaalsContact O-N 3.14Å; Q186-F188 PolarHBondContact O-N 3.47Å; F188-G191 PolarHBondContact O-N 2.77Å; F188-L193 HydrophobicContact CB-CD1 3.62Å; F188-L193 HydrophobicContact CB-CG 4.45Å; F188-I286 HydrophobicContact CE2-CG1 4.35Å; F188-I286 VanDerWaalsContact CE2-O 3.29Å; F188-I286 WeakPolarHBondContact CE2-O 3.34Å; F188-I286 HydrophobicContact CZ-CD1 4.32Å; F188-I286 HydrophobicContact CZ-CG1 4Å; F188-I286 HydrophobicContact CZ-CG2 4.48Å; F188-L288 HydrophobicContact CB-CD2 3.62Å; F188-L288 HydrophobicContact CB-CG 4.35Å; F188-L288 HydrophobicContact CD1-CD1 4.42Å; F188-L288 HydrophobicContact CD1-CD2 3.44Å; F188-L288 VanDerWaalsContact CD1-CD2 3.44Å; F188-L288 HydrophobicContact CD1-CG 3.77Å; F188-L288 HydrophobicContact CD2-CD2 4.2Å; F188-L288 HydrophobicContact CD2-CG 4.01Å; F188-L288 HydrophobicContact CE1-CD1 4.3Å; F188-L288 HydrophobicContact CE1-CD2 4.13Å; F188-L288 HydrophobicContact CE1-CG 4Å; F188-L288 HydrophobicContact CE2-CG 4.26Å; F188-L288 HydrophobicContact CG-CD2 3.47Å; F188-L288 VanDerWaalsContact CG-CD2 3.47Å; F188-L288 HydrophobicContact CG-CG 3.75Å; F188-L288 HydrophobicContact CZ-CG 4.25Å
189I94.8Very high84.6Confident5 Ų540.4 Ų40.43%0.02622%0.224CC..Hα-helixtrans-65.6-40.6-176.8-68.5-64.2000112T44 R47 L51 F185 Q186 G191T44-I189 HydrophobicContact CG2-CG2 3.61Å; R47-I189 HydrophobicContact CB-CD1 4.37Å; R47-I189 PolarHBondContact NH1-O 3.36Å; L51-I189 HydrophobicContact CD1-CD1 3.61Å; F185-I189 HydrophobicContact CD1-CG1 4.08Å; F185-I189 HydrophobicContact CE1-CD1 4.18Å; F185-I189 HydrophobicContact CE1-CG1 3.69Å; F185-I189 HydrophobicContact CE2-CD1 4.22Å; F185-I189 HydrophobicContact CE2-CG1 4.27Å; F185-I189 HydrophobicContact CZ-CD1 3.79Å; F185-I189 HydrophobicContact CZ-CG1 3.79Å; F185-I189 WeakPolarHBondContact O-CG1 3.26Å; F185-I189 PolarHBondContact O-N 2.96Å; Q186-I189 PolarHBondContact O-N 3.49Å; Q186-I189 VanDerWaalsContact O-N 3.11Å; I189-G191 VanDerWaalsContact C-N 3.3Å
190D89.9Confident82.9Confident99 Ų9946.2 Ų46.253%0.52925%0.246SC..Hα-helixtrans-77.9-15.4178.467.623.4000113.2Q186 A187 S192Q186-D190 VanDerWaalsContact O-CG 3.25Å; Q186-D190 PolarHBondContact O-N 2.81Å; A187-D190 VanDerWaalsContact C-OD1 3.31Å; A187-D190 VanDerWaalsContact CA-OD1 3.29Å; A187-D190 WeakPolarHBondContact CA-OD1 3.46Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 2.9Å; D190-S192 PolarHBondContact OD1-OG 3.1Å
191G84.8Confident81.3Confident39 Ų3951.7 Ų51.740%0.40227%0.27SS..SBendtrans89.82.1178.900000114.9A187 F188 I189 L193 R194A187-G191 CarbonylContact O-C 3.58Å; A187-G191 PolarHBondContact O-N 2.91Å; F188-G191 PolarHBondContact O-N 2.77Å; I189-G191 VanDerWaalsContact C-N 3.3Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 3.04Å; G191-R194 PolarHBondContact O-N 3.02Å
192S83.9Confident79.4Confident72 Ų7256 Ų5650%0.50329%0.291SS..THydrogen-bonded Turntrans-69-18.8-178.861.60000114.3A187 D190 R194A187-S192 VanDerWaalsContact CA-OG 3.24Å; A187-S192 WeakPolarHBondContact CA-OG 3.14Å; A187-S192 VanDerWaalsContact CB-OG 3.29Å; A187-S192 WeakPolarHBondContact CB-OG 3.48Å; A187-S192 PolarHBondContact O-N 3.44Å; A187-S192 PolarHBondContact O-OG 3.15Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 2.9Å; D190-S192 PolarHBondContact OD1-OG 3.1Å; S192-R194 PolarHBondContact O-N 3.15Å
193L83.3Confident78Confident16 Ų1660 Ų608%0.08432%0.315CS..THydrogen-bonded Turntrans-63.6-20.1174-74.1-175.7000113.8H184 A187 F188 G191 C290 G292H184-L193 VanDerWaalsContact CE1-CD1 3.47Å; H184-L193 WeakPolarHBondContact CE1-CD1 3.46Å; A187-L193 HydrophobicContact CB-CD2 3.69Å; A187-L193 HydrophobicContact CB-CG 3.72Å; A187-L193 PolarHBondContact O-N 3.43Å; A187-L193 VanDerWaalsContact O-N 3.09Å; F188-L193 HydrophobicContact CB-CD1 3.62Å; F188-L193 HydrophobicContact CB-CG 4.45Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 3.04Å; L193-C290 HydrophobicContact CB-CB 3.83Å; L193-C290 WeakPolarHBondContact O-CB 3.4Å; L193-G292 VanDerWaalsContact O-CA 3.23Å; L193-G292 WeakPolarHBondContact O-CA 3.34Å; L193-G292 PolarHBondContact O-N 3.4Å
194R78.2Confident76.7Confident54 Ų5460.6 Ų60.620%0.20432%0.322CS..SBendtrans-113.8115.7-179.9-165.1169.6-177.8-152.6-7.1110.8G191 S192 V196 N211 E355G191-R194 PolarHBondContact O-N 3.02Å; S192-R194 PolarHBondContact O-N 3.15Å; R194-V196 PolarHBondContact O-N 3.24Å; R194-N211 PolarHBondContact NH2-ND2 3.43Å; R194-E355 IonicContact CZ-OE1 3.59Å; R194-E355 IonicContact NE-OE1 3.82Å; R194-E355 PolarHBondContact NE-OE1 3.37Å; R194-E355 IonicContact NH2-OE1 3.21Å
195P67.7Low75.4Confident5 Ų565.4 Ų65.43%0.03234%0.342CS..  trans-53.6131.7177.4-29.136.6000112.9V197 T198 V294 W332P195-V197 HydrophobicContact CB-CG1 4.2Å; P195-V197 PolarHBondContact O-N 2.98Å; P195-T198 HydrophobicContact CB-CG2 4.24Å; P195-T198 PolarHBondContact O-N 3.23Å; P195-T198 PolarHBondContact O-OG1 3.4Å; P195-V294 HydrophobicContact CB-CG1 4.19Å; P195-V294 HydrophobicContact CG-CG1 3.6Å; P195-W332 HydrophobicContact CB-CB 4.15Å; P195-W332 HydrophobicContact CB-CD2 3.87Å; P195-W332 HydrophobicContact CB-CG 3.56Å; P195-W332 HydrophobicContact CG-CB 3.75Å; P195-W332 HydrophobicContact CG-CD2 4.41Å; P195-W332 HydrophobicContact CG-CG 3.76Å
196V63.4Low74Confident112 Ų11270 Ų7068%0.67936%0.36SS*.G310 helixtrans-62.3-32.8-178.9-177.10000112R194 T198 L199R194-V196 PolarHBondContact O-N 3.24Å; V196-T198 PolarHBondContact O-N 2.71Å; V196-T198 VanDerWaalsContact O-N 3.11Å; V196-L199 WeakPolarHBondContact O-CB 3.2Å; V196-L199 PolarHBondContact O-N 3.06Å
197V59.7Low72.6Confident40 Ų4072.7 Ų72.724%0.24237%0.369CS..G310 helixtrans-59.5-26.9-178.2720000113.1P195 L199 W332 V353P195-V197 HydrophobicContact CB-CG1 4.2Å; P195-V197 PolarHBondContact O-N 2.98Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-W332 HydrophobicContact CB-CH2 3.88Å; V197-W332 HydrophobicContact CB-CZ2 3.76Å; V197-W332 HydrophobicContact CG1-CD2 4.49Å; V197-W332 HydrophobicContact CG1-CE3 4.42Å; V197-W332 HydrophobicContact CG1-CH2 3.59Å; V197-W332 HydrophobicContact CG1-CZ2 3.66Å; V197-W332 HydrophobicContact CG1-CZ3 3.99Å; V197-W332 HydrophobicContact CG2-CH2 4.39Å; V197-V353 HydrophobicContact CG1-CB 4.43Å; V197-V353 HydrophobicContact CG1-CG1 4.01Å
198T59Low71.5Confident36 Ų3674 Ų7422%0.22137%0.371CS..G310 helixtrans-86.2-12.4-177.863.20000112.4P195 V196 E355P195-T198 HydrophobicContact CB-CG2 4.24Å; P195-T198 PolarHBondContact O-N 3.23Å; P195-T198 PolarHBondContact O-OG1 3.4Å; V196-T198 PolarHBondContact O-N 2.71Å; V196-T198 VanDerWaalsContact O-N 3.11Å; T198-E355 WeakPolarHBondContact CB-OE1 3.23Å; T198-E355 HydrophobicContact CG2-CG 3.31Å; T198-E355 PolarHBondContact OG1-OE1 3.15Å
199L59.6Low70.3Confident89 Ų8977.2 Ų77.247%0.46639%0.388SS..G310 helixtrans-86.3-5.2174.6-61.3174.1000113V196 V197 K201V196-L199 WeakPolarHBondContact O-CB 3.2Å; V196-L199 PolarHBondContact O-N 3.06Å; V197-L199 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.25Å; L199-K201 VanDerWaalsContact O-N 3.15Å
200R58.8Low68.9Low131 Ų13183.5 Ų83.549%0.49441%0.413SS..SBendtrans-60.7-27-174-167-176-71.5174.12.2114Y346R200-Y346 PolarHBondContact NH2-OH 3.37Å
201K61Low68.3Low121 Ų12179.4 Ų79.453%0.52639%0.391SS..  trans-102.3101.1-178.6-67.7-171.7175.9-178.20111.2L199 Y206L199-K201 PolarHBondContact O-N 3.25Å; L199-K201 VanDerWaalsContact O-N 3.15Å; K201-Y206 HydrophobicContact CB-CD1 4.17Å; K201-Y206 HydrophobicContact CB-CD2 4.24Å; K201-Y206 HydrophobicContact CB-CG 3.92Å; K201-Y206 HydrophobicContact CD-CD1 3.81Å; K201-Y206 HydrophobicContact CD-CD2 4.25Å; K201-Y206 HydrophobicContact CD-CE1 3.48Å; K201-Y206 VanDerWaalsContact CD-CE1 3.48Å; K201-Y206 HydrophobicContact CD-CE2 3.96Å; K201-Y206 HydrophobicContact CD-CG 4.17Å; K201-Y206 PolarHBondContact NZ-OH 3.27Å; K201-Y206 VanDerWaalsContact NZ-OH 3.1Å
202D57.6Low68Low129 Ų12979.7 Ų79.769%0.6939%0.39SS*.  trans-93.412.9-175-164.229.3000114.8
203T66.2Low68.1Low85 Ų8576.5 Ų76.552%0.52137%0.367SS..  trans-69.3142.6177.3-14.80000110.5K205 Y206 R207T203-K205 VanDerWaalsContact C-N 3.26Å; T203-K205 PolarHBondContact O-N 2.93Å; T203-K205 VanDerWaalsContact O-N 3.14Å; T203-Y206 WeakPolarHBondContact O-CA 3.39Å; T203-Y206 WeakPolarHBondContact O-CB 3.1Å; T203-Y206 PolarHBondContact O-N 3.35Å; T203-Y206 WeakPolarHBondContact OG1-CD2 3.36Å; T203-R207 PolarHBondContact O-N 3.15Å
204F68.4Low68.2Low144 Ų14479 Ų7963%0.63238%0.377SS*.Hα-helixtrans-48.6-44.9178-177.8-90.1000113.2Y206 R207 F208F204-Y206 VanDerWaalsContact C-N 3.31Å; F204-Y206 PolarHBondContact O-N 3.39Å; F204-R207 PolarHBondContact O-N 3.29Å; F204-F208 HydrophobicContact CD1-CD2 4.36Å; F204-F208 AromaticContact CD2-CD2 3.51Å; F204-F208 HydrophobicContact CD2-CD2 3.51Å; F204-F208 AromaticContact CD2-CE2 3.64Å; F204-F208 HydrophobicContact CD2-CE2 3.64Å; F204-F208 HydrophobicContact CE1-CD2 4.25Å; F204-F208 AromaticContact CE2-CD2 3.38Å; F204-F208 HydrophobicContact CE2-CD2 3.38Å; F204-F208 AromaticContact CE2-CE2 3.51Å; F204-F208 HydrophobicContact CE2-CE2 3.51Å; F204-F208 HydrophobicContact CE2-CG 4.34Å; F204-F208 HydrophobicContact CG-CD2 4.01Å; F204-F208 AromaticContact CZ-CD2 3.78Å; F204-F208 HydrophobicContact CZ-CD2 3.78Å; F204-F208 HydrophobicContact CZ-CE2 4.31Å; F204-F208 HydrophobicContact CZ-CG 4.37Å; F204-F208 PolarHBondContact O-N 2.93Å
205K67.4Low68.6Low134 Ų13483.1 Ų83.158%0.58339%0.392SS*.Iπ-helixtrans-59.4-40.1176-66.4-172.4179.5177.50112.1T203 I209 Y210T203-K205 VanDerWaalsContact C-N 3.26Å; T203-K205 PolarHBondContact O-N 2.93Å; T203-K205 VanDerWaalsContact O-N 3.14Å; K205-I209 HydrophobicContact CB-CD1 4.42Å; K205-I209 HydrophobicContact CG-CD1 4.21Å; K205-I209 WeakPolarHBondContact O-CA 3.39Å; K205-I209 VanDerWaalsContact O-CB 3.25Å; K205-I209 WeakPolarHBondContact O-CB 3.44Å; K205-I209 PolarHBondContact O-N 3.44Å; K205-Y210 HydrophobicContact CB-CD2 4.29Å; K205-Y210 HydrophobicContact CB-CE2 4.15Å; K205-Y210 WeakPolarHBondContact O-CD2 3.29Å; K205-Y210 PolarHBondContact O-N 3.28Å
206Y68Low69.6Low97 Ų9784.5 Ų84.538%0.3840%0.397SS..Iπ-helixtrans-70.4-40.9176.6-80.8-82.6000111.9K201 T203 F204 Y210 N211K201-Y206 HydrophobicContact CB-CD1 4.17Å; K201-Y206 HydrophobicContact CB-CD2 4.24Å; K201-Y206 HydrophobicContact CB-CG 3.92Å; K201-Y206 HydrophobicContact CD-CD1 3.81Å; K201-Y206 HydrophobicContact CD-CD2 4.25Å; K201-Y206 HydrophobicContact CD-CE1 3.48Å; K201-Y206 VanDerWaalsContact CD-CE1 3.48Å; K201-Y206 HydrophobicContact CD-CE2 3.96Å; K201-Y206 HydrophobicContact CD-CG 4.17Å; K201-Y206 PolarHBondContact NZ-OH 3.27Å; K201-Y206 VanDerWaalsContact NZ-OH 3.1Å; T203-Y206 WeakPolarHBondContact O-CA 3.39Å; T203-Y206 WeakPolarHBondContact O-CB 3.1Å; T203-Y206 PolarHBondContact O-N 3.35Å; T203-Y206 WeakPolarHBondContact OG1-CD2 3.36Å; F204-Y206 VanDerWaalsContact C-N 3.31Å; F204-Y206 PolarHBondContact O-N 3.39Å; Y206-Y210 HydrophobicContact CD1-CD2 4.31Å; Y206-Y210 HydrophobicContact CG-CD2 4.48Å; Y206-N211 VanDerWaalsContact O-CB 3.3Å; Y206-N211 WeakPolarHBondContact O-CB 3.11Å; Y206-N211 PolarHBondContact O-N 2.92Å
207R67.3Low71.1Confident86 Ų8679.4 Ų79.433%0.32537%0.366SS..Iπ-helixtrans-67.3-37.6-178.9-173.6171.7179.6161.21.5113.9D36 T203 F204 N211D36-R207 PolarHBondContact O-NH2 3.49Å; D36-R207 IonicContact OD2-NH2 2.67Å; T203-R207 PolarHBondContact O-N 3.15Å; F204-R207 PolarHBondContact O-N 3.29Å; R207-N211 WeakPolarHBondContact O-CB 3.14Å; R207-N211 PolarHBondContact O-ND2 2.87Å; R207-N211 VanDerWaalsContact O-ND2 3.07Å
208F68.4Low72.6Confident44 Ų4481.8 Ų81.819%0.19338%0.377CS..Iπ-helixtrans-113.3-33.1-173.7-63.7-74.8000114.6F33 F204 F214F33-F208 HydrophobicContact CE2-CE1 4.24Å; F204-F208 HydrophobicContact CD1-CD2 4.36Å; F204-F208 AromaticContact CD2-CD2 3.51Å; F204-F208 HydrophobicContact CD2-CD2 3.51Å; F204-F208 AromaticContact CD2-CE2 3.64Å; F204-F208 HydrophobicContact CD2-CE2 3.64Å; F204-F208 HydrophobicContact CE1-CD2 4.25Å; F204-F208 AromaticContact CE2-CD2 3.38Å; F204-F208 HydrophobicContact CE2-CD2 3.38Å; F204-F208 AromaticContact CE2-CE2 3.51Å; F204-F208 HydrophobicContact CE2-CE2 3.51Å; F204-F208 HydrophobicContact CE2-CG 4.34Å; F204-F208 HydrophobicContact CG-CD2 4.01Å; F204-F208 AromaticContact CZ-CD2 3.78Å; F204-F208 HydrophobicContact CZ-CD2 3.78Å; F204-F208 HydrophobicContact CZ-CE2 4.31Å; F204-F208 HydrophobicContact CZ-CG 4.37Å; F204-F208 PolarHBondContact O-N 2.93Å; F208-F214 HydrophobicContact CD1-CD2 4.12Å; F208-F214 HydrophobicContact CD1-CE2 4.19Å; F208-F214 WeakPolarHBondContact O-CD1 3.42Å; F208-F214 WeakPolarHBondContact O-CG 3.2Å
209I68Low74.2Confident83 Ų8382.7 Ų82.743%0.42639%0.385SS..Iπ-helixtrans-95.8-44.7-175.6-58.1173.7000111.7K205 R215K205-I209 HydrophobicContact CB-CD1 4.42Å; K205-I209 HydrophobicContact CG-CD1 4.21Å; K205-I209 WeakPolarHBondContact O-CA 3.39Å; K205-I209 VanDerWaalsContact O-CB 3.25Å; K205-I209 WeakPolarHBondContact O-CB 3.44Å; K205-I209 PolarHBondContact O-N 3.44Å; I209-R215 PolarHBondContact O-NE 3.49Å; I209-R215 PolarHBondContact O-NH2 2.94Å
210Y67.1Low75.8Confident138 Ų13880.1 Ų80.154%0.54137%0.369SS..SBendtrans-95.2-8.2-177.3-59.6-67000113.9K205 Y206 A212K205-Y210 HydrophobicContact CB-CD2 4.29Å; K205-Y210 HydrophobicContact CB-CE2 4.15Å; K205-Y210 WeakPolarHBondContact O-CD2 3.29Å; K205-Y210 PolarHBondContact O-N 3.28Å; Y206-Y210 HydrophobicContact CD1-CD2 4.31Å; Y206-Y210 HydrophobicContact CG-CD2 4.48Å; Y210-A212 PolarHBondContact O-N 3.49Å
211N76.9Confident77.6Confident13 Ų1377.1 Ų77.17%0.0736%0.36CS..  trans-69120.7-180-167.8-22.9000111.1R194 Y206 R207 K213 F214 R215R194-N211 PolarHBondContact NH2-ND2 3.43Å; Y206-N211 VanDerWaalsContact O-CB 3.3Å; Y206-N211 WeakPolarHBondContact O-CB 3.11Å; Y206-N211 PolarHBondContact O-N 2.92Å; R207-N211 WeakPolarHBondContact O-CB 3.14Å; R207-N211 PolarHBondContact O-ND2 2.87Å; R207-N211 VanDerWaalsContact O-ND2 3.07Å; N211-K213 PolarHBondContact O-N 3.28Å; N211-K213 WeakPolarHBondContact OD1-CB 3.2Å; N211-K213 PolarHBondContact OD1-N 3.47Å; N211-F214 HydrophobicContact CB-CB 4.25Å; N211-F214 PolarHBondContact O-N 3.41Å; N211-R215 PolarHBondContact O-N 3.47Å
212A78.8Confident79.3Confident45 Ų4575 Ų7537%0.37236%0.357SS..Hα-helixtrans-58-35.9177.700000112Y210 R216Y210-A212 PolarHBondContact O-N 3.49Å; A212-R216 WeakPolarHBondContact O-CB 3.46Å; A212-R216 PolarHBondContact O-N 2.96Å
213K85.3Confident81Confident5 Ų572.2 Ų72.22%0.02234%0.342CS..Hα-helixtrans-56.3-55.9174.3-168.3-175.970.5152.10110.9D36 N211 R216 T217 V284 L285 H358D36-K213 IonicContact OD1-NZ 3.64Å; D36-K213 PolarHBondContact OD1-NZ 3.33Å; D36-K213 IonicContact OD2-NZ 2.7Å; D36-K213 PolarHBondContact OD2-NZ 3.14Å; N211-K213 PolarHBondContact O-N 3.28Å; N211-K213 WeakPolarHBondContact OD1-CB 3.2Å; N211-K213 PolarHBondContact OD1-N 3.47Å; K213-R216 PolarHBondContact O-N 3.03Å; K213-T217 PolarHBondContact O-N 3.43Å; K213-T217 PolarHBondContact O-OG1 3.1Å; K213-V284 WeakPolarHBondContact CD-O 3.34Å; K213-V284 HydrophobicContact CG-CG1 3.92Å; K213-V284 VanDerWaalsContact CG-O 3.22Å; K213-V284 WeakPolarHBondContact CG-O 3.41Å; K213-V284 WeakPolarHBondContact O-CG1 3.22Å; K213-L285 PolarHBondContact NZ-O 3.31Å; K213-H358 WeakPolarHBondContact CB-NE2 3.32Å
214F86.1Confident82.4Confident69 Ų6968.2 Ų68.230%0.30332%0.317SS..Hα-helixtrans-66-42.4-176.3-171.3-92000112.2F208 N211 R216 T217 L218F208-F214 HydrophobicContact CD1-CD2 4.12Å; F208-F214 HydrophobicContact CD1-CE2 4.19Å; F208-F214 WeakPolarHBondContact O-CD1 3.42Å; F208-F214 WeakPolarHBondContact O-CG 3.2Å; N211-F214 HydrophobicContact CB-CB 4.25Å; N211-F214 PolarHBondContact O-N 3.41Å; F214-R216 VanDerWaalsContact C-N 3.29Å; F214-R216 PolarHBondContact O-N 3.28Å; F214-T217 WeakPolarHBondContact O-CB 3.29Å; F214-T217 PolarHBondContact O-N 3.33Å; F214-L218 HydrophobicContact CE1-CD2 4.45Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 2.65Å
215R86.9Confident83.7Confident139 Ų13964.6 Ų64.653%0.52530%0.302SS..Hα-helixtrans-57.9-42.4175.4-72.4-175178-155.3-2.8112I209 N211 S219I209-R215 PolarHBondContact O-NE 3.49Å; I209-R215 PolarHBondContact O-NH2 2.94Å; N211-R215 PolarHBondContact O-N 3.47Å; R215-S219 VanDerWaalsContact O-CB 3.32Å; R215-S219 WeakPolarHBondContact O-CB 3.32Å; R215-S219 PolarHBondContact O-N 3.41Å
216R88.8Confident85Confident34 Ų3464.8 Ų64.813%0.12830%0.303CS..Hα-helixtrans-67.9-47.8176.2-174.4-174.6-173.4105.4-11.4111.2A212 K213 F214 L218 S219 R220 E280 V284 H358A212-R216 WeakPolarHBondContact O-CB 3.46Å; A212-R216 PolarHBondContact O-N 2.96Å; K213-R216 PolarHBondContact O-N 3.03Å; F214-R216 VanDerWaalsContact C-N 3.29Å; F214-R216 PolarHBondContact O-N 3.28Å; R216-L218 VanDerWaalsContact C-N 3.29Å; R216-L218 PolarHBondContact O-N 3.18Å; R216-S219 PolarHBondContact O-N 3.25Å; R216-R220 HydrophobicContact CG-CG 4.05Å; R216-R220 WeakPolarHBondContact O-CB 3.37Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.45Å; R216-R220 PolarHBondContact O-N 3.29Å; R216-E280 IonicContact CZ-OE1 3.68Å; R216-E280 IonicContact NE-OE1 3.52Å; R216-E280 PolarHBondContact NE-OE1 3.34Å; R216-E280 IonicContact NH2-OE1 3.11Å; R216-E280 PolarHBondContact NH2-OE1 3.36Å; R216-V284 HydrophobicContact CB-CG1 4.11Å; R216-V284 HydrophobicContact CG-CG1 4.28Å; R216-V284 HydrophobicContact CG-CG2 4.33Å; R216-H358 VanDerWaalsContact CD-O 3.24Å; R216-H358 WeakPolarHBondContact CD-O 3.25Å; R216-H358 PolarHBondContact NE-O 2.93Å; R216-H358 PolarHBondContact NH2-O 2.99Å
217T92.9Very high86.2Confident6 Ų660.8 Ų60.84%0.03729%0.291CS..Hα-helixtrans-49.9-52.1175-69.20000111Y29 K213 F214 R220 F221 G281 V284 L285Y29-T217 HydrophobicContact CD1-CG2 4.29Å; Y29-T217 HydrophobicContact CE1-CG2 3.89Å; K213-T217 PolarHBondContact O-N 3.43Å; K213-T217 PolarHBondContact O-OG1 3.1Å; F214-T217 WeakPolarHBondContact O-CB 3.29Å; F214-T217 PolarHBondContact O-N 3.33Å; T217-R220 PolarHBondContact O-N 3.41Å; T217-F221 WeakPolarHBondContact O-CB 3.41Å; T217-F221 PolarHBondContact O-N 3.37Å; T217-G281 WeakPolarHBondContact CG2-O 3.24Å; T217-G281 PolarHBondContact OG1-O 3.46Å; T217-V284 WeakPolarHBondContact OG1-CG1 3.43Å; T217-L285 HydrophobicContact CG2-CB 3.79Å; T217-L285 HydrophobicContact CG2-CD1 4.24Å; T217-L285 HydrophobicContact CG2-CD2 4.19Å; T217-L285 HydrophobicContact CG2-CG 4.29Å; T217-L285 WeakPolarHBondContact OG1-CA 3.27Å; T217-L285 PolarHBondContact OG1-N 2.9Å
218L93.1Very high87.4Confident89 Ų8957.8 Ų57.847%0.46628%0.282SS..Hα-helixtrans-62.7-46.3-179.4-17762.7000111.7F214 R216 R220 F221 V222F214-L218 HydrophobicContact CE1-CD2 4.45Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 2.65Å; R216-L218 VanDerWaalsContact C-N 3.29Å; R216-L218 PolarHBondContact O-N 3.18Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 2.89Å; L218-F221 PolarHBondContact O-N 2.67Å; L218-V222 HydrophobicContact CD1-CG2 3.93Å; L218-V222 HydrophobicContact CG-CG2 4.31Å; L218-V222 WeakPolarHBondContact O-CB 3.37Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.43Å; L218-V222 PolarHBondContact O-N 3.09Å
219S91.6Very high88.5Confident56 Ų5660.9 Ų60.939%0.39230%0.299SS..Hα-helixtrans-58.9-44.3178.1175.10000112.1R215 R216 L223R215-S219 VanDerWaalsContact O-CB 3.32Å; R215-S219 WeakPolarHBondContact O-CB 3.32Å; R215-S219 PolarHBondContact O-N 3.41Å; R216-S219 PolarHBondContact O-N 3.25Å; S219-L223 VanDerWaalsContact O-CB 3.3Å; S219-L223 WeakPolarHBondContact O-CB 3.46Å; S219-L223 WeakPolarHBondContact O-CG 3.3Å; S219-L223 PolarHBondContact O-N 2.88Å
220R93.9Very high89.7Confident35 Ų3558.9 Ų58.913%0.13229%0.29CS..Hα-helixtrans-68.6-43.6179.6-65.4-57.5-175.4-161.6-1.4112.3R216 T217 L218 G224 L277 E280R216-R220 HydrophobicContact CG-CG 4.05Å; R216-R220 WeakPolarHBondContact O-CB 3.37Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.45Å; R216-R220 PolarHBondContact O-N 3.29Å; T217-R220 PolarHBondContact O-N 3.41Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 2.89Å; R220-G224 PolarHBondContact O-N 3.27Å; R220-L277 WeakPolarHBondContact CB-O 3.26Å; R220-E280 WeakPolarHBondContact CD-OE1 3.38Å; R220-E280 HydrophobicContact CG-CG 4.41Å; R220-E280 IonicContact CZ-OE1 3.72Å; R220-E280 IonicContact NE-OE1 3.83Å; R220-E280 PolarHBondContact NE-OE1 2.86Å; R220-E280 IonicContact NE-OE2 2.93Å; R220-E280 IonicContact NH2-OE1 3.67Å
221F95.6Very high91Very high67 Ų6753 Ų5329%0.29427%0.268SS..Hα-helixtrans-59-52.5175.2179.5-107.9000111.6F26 Y29 T217 L218 G224 H225F26-F221 HydrophobicContact CD1-CE2 4.05Å; F26-F221 HydrophobicContact CE1-CE2 4.15Å; Y29-F221 HydrophobicContact CD1-CD2 4.39Å; Y29-F221 HydrophobicContact CD2-CD2 4.4Å; Y29-F221 HydrophobicContact CE1-CB 3.88Å; Y29-F221 AromaticContact CE1-CD2 3.73Å; Y29-F221 HydrophobicContact CE1-CD2 3.73Å; Y29-F221 HydrophobicContact CE1-CG 4.03Å; Y29-F221 AromaticContact CE2-CD2 3.78Å; Y29-F221 HydrophobicContact CE2-CD2 3.78Å; Y29-F221 HydrophobicContact CE2-CE2 4.26Å; Y29-F221 AromaticContact CZ-CD2 3.4Å; Y29-F221 VanDerWaalsContact CZ-CD2 3.4Å; T217-F221 WeakPolarHBondContact O-CB 3.41Å; T217-F221 PolarHBondContact O-N 3.37Å; L218-F221 PolarHBondContact O-N 2.67Å; F221-G224 PolarHBondContact O-N 2.93Å; F221-H225 VanDerWaalsContact O-CB 3.27Å; F221-H225 WeakPolarHBondContact O-CB 3.44Å; F221-H225 PolarHBondContact O-N 3.33Å
222V96.4Very high91.5Very high77 Ų7754.7 Ų54.747%0.46728%0.281SS..Hα-helixtrans-62.8-47-178.2171.80000111.4L218 G224 H225 F226L218-V222 HydrophobicContact CD1-CG2 3.93Å; L218-V222 HydrophobicContact CG-CG2 4.31Å; L218-V222 WeakPolarHBondContact O-CB 3.37Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.43Å; L218-V222 PolarHBondContact O-N 3.09Å; V222-G224 PolarHBondContact O-N 3.49Å; V222-H225 PolarHBondContact O-N 3.19Å; V222-F226 WeakPolarHBondContact O-CB 3.49Å; V222-F226 PolarHBondContact O-N 2.9Å
223L94.7Very high92Very high71 Ų7159.7 Ų59.737%0.37230%0.295SS..Hα-helixtrans-64.2-41.5178.9-72171.9000112.2S219 G227 L277 L366S219-L223 VanDerWaalsContact O-CB 3.3Å; S219-L223 WeakPolarHBondContact O-CB 3.46Å; S219-L223 WeakPolarHBondContact O-CG 3.3Å; S219-L223 PolarHBondContact O-N 2.88Å; L223-G227 PolarHBondContact O-N 3.11Å; L223-L277 HydrophobicContact CB-CD1 4.22Å; L223-L366 HydrophobicContact CD1-CD1 3.98Å
224G95.7Very high92.3Very high0 Ų065.5 Ų65.50%032%0.316CS..Hα-helixtrans-64.3-46.9177.300000112.1R220 F221 V222 G227 L228 S274R220-G224 PolarHBondContact O-N 3.27Å; F221-G224 PolarHBondContact O-N 2.93Å; V222-G224 PolarHBondContact O-N 3.49Å; G224-G227 PolarHBondContact O-N 3.16Å; G224-L228 WeakPolarHBondContact O-CB 3.41Å; G224-L228 PolarHBondContact O-N 3.26Å; G224-S274 WeakPolarHBondContact CA-O 3.49Å; G224-S274 WeakPolarHBondContact O-CB 3.28Å
225H94.6Very high92.4Very high69 Ų6963.8 Ų63.832%0.31931%0.309SS..Hα-helixtrans-66.9-47.7-179.4-153.988.2000112.1F26 F221 V222 G227 L228 I229F26-H225 AromaticContact CE1-CE1 3.9Å; F26-H225 AromaticContact CE1-ND1 3.44Å; F26-H225 WeakPolarHBondContact CE1-ND1 3.27Å; F26-H225 AromaticContact CE2-CE1 3.89Å; F26-H225 AromaticContact CZ-CE1 3.28Å; F26-H225 WeakPolarHBondContact CZ-CE1 3.36Å; F26-H225 AromaticContact CZ-ND1 3.23Å; F26-H225 WeakPolarHBondContact CZ-ND1 3.4Å; F221-H225 VanDerWaalsContact O-CB 3.27Å; F221-H225 WeakPolarHBondContact O-CB 3.44Å; F221-H225 PolarHBondContact O-N 3.33Å; V222-H225 PolarHBondContact O-N 3.19Å; H225-G227 PolarHBondContact O-N 3.48Å; H225-L228 PolarHBondContact O-N 3.21Å; H225-I229 WeakPolarHBondContact O-CG1 3.14Å; H225-I229 PolarHBondContact O-N 2.82Å; H225-I229 VanDerWaalsContact O-N 3.14Å
226F95.2Very high92.5Very high138 Ų13860.8 Ų60.861%0.60531%0.314SS*.Hα-helixtrans-60-46.6175.1177.1-101000111.5V222 L228 I229 V230V222-F226 WeakPolarHBondContact O-CB 3.49Å; V222-F226 PolarHBondContact O-N 2.9Å; F226-L228 VanDerWaalsContact C-N 3.33Å; F226-L228 PolarHBondContact O-N 3.39Å; F226-I229 PolarHBondContact O-N 3.16Å; F226-V230 HydrophobicContact CD1-CG2 4.44Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 4.01Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.72Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.49Å; F226-V230 VanDerWaalsContact O-N 3.1Å
227G93.6Very high92.7Very high13 Ų1364.2 Ų64.213%0.13433%0.333CS..Hα-helixtrans-58.7-43.8176.700000112L223 G224 H225 I229 V230 L231 S274L223-G227 PolarHBondContact O-N 3.11Å; G224-G227 PolarHBondContact O-N 3.16Å; H225-G227 PolarHBondContact O-N 3.48Å; G227-I229 PolarHBondContact O-N 3.49Å; G227-V230 PolarHBondContact O-N 2.93Å; G227-L231 WeakPolarHBondContact O-CB 3.44Å; G227-L231 VanDerWaalsContact O-CD1 3.29Å; G227-L231 WeakPolarHBondContact O-CD1 3.4Å; G227-L231 WeakPolarHBondContact O-CG 3.23Å; G227-L231 PolarHBondContact O-N 2.96Å; G227-S274 VanDerWaalsContact C-OG 3.26Å; G227-S274 WeakPolarHBondContact CA-OG 3.28Å
228L92.6Very high92.7Very high23 Ų2367.4 Ų67.412%0.1235%0.345CS..Hα-helixtrans-62.1-43.3179.9-176.563.6000112.1L22 G224 H225 F226 S232 S274 I275L22-L228 HydrophobicContact CD1-CD2 3.49Å; L22-L228 VanDerWaalsContact CD1-CD2 3.49Å; L22-L228 HydrophobicContact CD2-CD2 3.78Å; L22-L228 HydrophobicContact CG-CD2 4.3Å; G224-L228 WeakPolarHBondContact O-CB 3.41Å; G224-L228 PolarHBondContact O-N 3.26Å; H225-L228 PolarHBondContact O-N 3.21Å; F226-L228 VanDerWaalsContact C-N 3.33Å; F226-L228 PolarHBondContact O-N 3.39Å; L228-S232 WeakPolarHBondContact O-CB 3.33Å; L228-S232 PolarHBondContact O-N 3.4Å; L228-S232 PolarHBondContact O-OG 2.89Å; L228-S274 PolarHBondContact N-OG 2.98Å; L228-I275 HydrophobicContact CD1-CD1 4.13Å; L228-I275 HydrophobicContact CD2-CD1 4.17Å
229I91.4Very high92.7Very high108 Ų10865.4 Ų65.455%0.55434%0.337SS*.Hα-helixtrans-63.4-52179.4-67.5168000110.5H225 F226 G227 S232 K233H225-I229 WeakPolarHBondContact O-CG1 3.14Å; H225-I229 PolarHBondContact O-N 2.82Å; H225-I229 VanDerWaalsContact O-N 3.14Å; F226-I229 PolarHBondContact O-N 3.16Å; G227-I229 PolarHBondContact O-N 3.49Å; I229-S232 PolarHBondContact O-N 2.89Å; I229-K233 PolarHBondContact O-N 2.75Å
230V93.1Very high92.8Very high41 Ų4162.9 Ų62.925%0.24832%0.32CS..Hα-helixtrans-63.6-47.4-178174.50000110.9F226 G227 S232 K233 W234F226-V230 HydrophobicContact CD1-CG2 4.44Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 4.01Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.72Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.49Å; F226-V230 VanDerWaalsContact O-N 3.1Å; G227-V230 PolarHBondContact O-N 2.93Å; V230-S232 PolarHBondContact O-N 3.26Å; V230-K233 PolarHBondContact O-N 3.11Å; V230-W234 HydrophobicContact CG1-CD2 4.1Å; V230-W234 HydrophobicContact CG1-CH2 4.44Å; V230-W234 HydrophobicContact CG1-CZ2 3.93Å; V230-W234 PolarHBondContact O-N 3.25Å
231L92.9Very high92.9Very high14 Ų1466.8 Ų66.87%0.07334%0.343CS..Hα-helixtrans-72.5-27.4-176.1-65.2165.3000112.9G227 W234 F235 I267 L270 R271G227-L231 WeakPolarHBondContact O-CB 3.44Å; G227-L231 VanDerWaalsContact O-CD1 3.29Å; G227-L231 WeakPolarHBondContact O-CD1 3.4Å; G227-L231 WeakPolarHBondContact O-CG 3.23Å; G227-L231 PolarHBondContact O-N 2.96Å; L231-W234 HydrophobicContact CD2-CE3 4.18Å; L231-W234 PolarHBondContact O-N 2.89Å; L231-F235 WeakPolarHBondContact O-CB 3.34Å; L231-F235 PolarHBondContact O-N 3.26Å; L231-I267 HydrophobicContact CD2-CG2 4.49Å; L231-L270 VanDerWaalsContact CD1-C 3.46Å; L231-L270 HydrophobicContact CD1-CB 3.53Å; L231-L270 WeakPolarHBondContact CD1-O 3.24Å; L231-L270 HydrophobicContact CD2-CB 3.98Å; L231-L270 HydrophobicContact CD2-CD1 4.36Å; L231-L270 HydrophobicContact CG-CB 4.43Å; L231-R271 HydrophobicContact CB-CG 3.62Å; L231-R271 HydrophobicContact CD1-CG 4.38Å
232S87.5Confident92.9Very high49 Ų4966.1 Ų66.134%0.34334%0.34SS..Hα-helixtrans-67.2-41.7172.9-60.10000110.9L228 I229 V230 F235 A236L228-S232 WeakPolarHBondContact O-CB 3.33Å; L228-S232 PolarHBondContact O-N 3.4Å; L228-S232 PolarHBondContact O-OG 2.89Å; I229-S232 PolarHBondContact O-N 2.89Å; V230-S232 PolarHBondContact O-N 3.26Å; S232-F235 PolarHBondContact O-N 3.42Å; S232-A236 PolarHBondContact O-N 3.18Å; S232-A236 VanDerWaalsContact O-N 3.12Å
233K89.3Confident92.9Very high151 Ų15162.5 Ų62.566%0.65732%0.318SS*.Hα-helixtrans-62.1-43.9172.8-176.1177.4-178.6178.40111.6I229 V230 A236 M237I229-K233 PolarHBondContact O-N 2.75Å; V230-K233 PolarHBondContact O-N 3.11Å; K233-A236 PolarHBondContact O-N 3.22Å; K233-M237 PolarHBondContact O-N 3.23Å
234W91.9Very high93.1Very high126 Ų12661.6 Ų61.648%0.47731%0.313SS..Hα-helixtrans-67.4-38.6178.8-69.87.3000112.5V230 L231 A236 M237 Y238 I267V230-W234 HydrophobicContact CG1-CD2 4.1Å; V230-W234 HydrophobicContact CG1-CH2 4.44Å; V230-W234 HydrophobicContact CG1-CZ2 3.93Å; V230-W234 PolarHBondContact O-N 3.25Å; L231-W234 HydrophobicContact CD2-CE3 4.18Å; L231-W234 PolarHBondContact O-N 2.89Å; W234-A236 VanDerWaalsContact C-N 3.3Å; W234-A236 PolarHBondContact O-N 3.5Å; W234-M237 HydrophobicContact CB-CE 4.3Å; W234-M237 HydrophobicContact CG-CE 4.02Å; W234-M237 WeakPolarHBondContact O-CB 3.11Å; W234-M237 PolarHBondContact O-N 3.42Å; W234-Y238 WeakPolarHBondContact O-CD2 3.31Å; W234-Y238 PolarHBondContact O-N 2.82Å; W234-I267 HydrophobicContact CB-CD1 3.96Å; W234-I267 HydrophobicContact CB-CG1 4.33Å; W234-I267 HydrophobicContact CB-CG2 4.46Å; W234-I267 HydrophobicContact CE3-CG1 4.41Å
235F88.9Confident93.2Very high33 Ų3364 Ų6415%0.14533%0.328CS..Hα-helixtrans-63.1-37.3176.4-173.9-95.4000112.5L231 S232 M237 Y238 F264 I267 R271 Y485L231-F235 WeakPolarHBondContact O-CB 3.34Å; L231-F235 PolarHBondContact O-N 3.26Å; S232-F235 PolarHBondContact O-N 3.42Å; F235-M237 PolarHBondContact O-N 3.35Å; F235-Y238 CarbonylContact O-C 3.58Å; F235-Y238 PolarHBondContact O-N 3.13Å; F235-F264 AromaticContact CE2-CE2 3.94Å; F235-F264 HydrophobicContact CE2-CE2 3.94Å; F235-I267 HydrophobicContact CB-CG2 3.82Å; F235-I267 HydrophobicContact CD2-CG2 4.03Å; F235-I267 HydrophobicContact CG-CG2 4.46Å; F235-R271 VanDerWaalsContact CD2-NH1 3.3Å; F235-Y485 HydrophobicContact CE2-CE2 4.24Å; F235-Y485 HydrophobicContact CZ-CE2 4.12Å; F235-Y485 AromaticContact CZ-CZ 3.89Å; F235-Y485 WeakPolarHBondContact CZ-OH 3.46Å
236A89.2Confident93.3Very high77 Ų7766.1 Ų66.164%0.63634%0.342SS*.Hα-helixtrans-63.2-29172.700000113S232 K233 W234S232-A236 PolarHBondContact O-N 3.18Å; S232-A236 VanDerWaalsContact O-N 3.12Å; K233-A236 PolarHBondContact O-N 3.22Å; W234-A236 VanDerWaalsContact C-N 3.3Å; W234-A236 PolarHBondContact O-N 3.5Å
237M91.7Very high93.4Very high105 Ų10563 Ų6352%0.51733%0.329SS..Hα-helixtrans-81.4-22.1175-65.5-174.4-67.100113.5K233 W234 F235 P239K233-M237 PolarHBondContact O-N 3.23Å; W234-M237 HydrophobicContact CB-CE 4.3Å; W234-M237 HydrophobicContact CG-CE 4.02Å; W234-M237 WeakPolarHBondContact O-CB 3.11Å; W234-M237 PolarHBondContact O-N 3.42Å; F235-M237 PolarHBondContact O-N 3.35Å; M237-P239 WeakPolarHBondContact O-CD 3.41Å
238Y94.1Very high93.6Very high73 Ų7362.4 Ų62.429%0.28632%0.323SS..SBendtrans-12262.7179.1-67.1-92.1000110.8W234 F235 Y260 I263 F264 I267W234-Y238 WeakPolarHBondContact O-CD2 3.31Å; W234-Y238 PolarHBondContact O-N 2.82Å; F235-Y238 CarbonylContact O-C 3.58Å; F235-Y238 PolarHBondContact O-N 3.13Å; Y238-Y260 VanDerWaalsContact CA-OH 3.25Å; Y238-Y260 WeakPolarHBondContact CA-OH 3.29Å; Y238-Y260 AromaticContact CD1-CD2 3.75Å; Y238-Y260 HydrophobicContact CD1-CD2 3.75Å; Y238-Y260 AromaticContact CD1-CE2 3.48Å; Y238-Y260 HydrophobicContact CD1-CE2 3.48Å; Y238-Y260 VanDerWaalsContact CD1-CE2 3.48Å; Y238-Y260 HydrophobicContact CD1-CG 4.45Å; Y238-Y260 AromaticContact CD1-CZ 3.98Å; Y238-Y260 HydrophobicContact CE1-CD2 4.1Å; Y238-Y260 HydrophobicContact CE1-CE2 4.15Å; Y238-Y260 HydrophobicContact CG-CE2 4.37Å; Y238-I263 HydrophobicContact CD1-CB 4.35Å; Y238-I263 HydrophobicContact CD1-CG2 3.72Å; Y238-I263 HydrophobicContact CD2-CG2 4.06Å; Y238-I263 HydrophobicContact CE1-CB 4.22Å; Y238-I263 HydrophobicContact CE1-CD1 4.04Å; Y238-I263 HydrophobicContact CE1-CG2 3.62Å; Y238-I263 HydrophobicContact CE2-CG2 3.98Å; Y238-I263 HydrophobicContact CG-CG2 3.95Å; Y238-F264 WeakPolarHBondContact O-CD2 3.38Å; Y238-I267 HydrophobicContact CD2-CD1 3.61Å; Y238-I267 HydrophobicContact CE2-CD1 4.35Å; Y238-I267 HydrophobicContact CG-CD1 3.93Å
239P93.9Very high93.8Very high47 Ų4761.8 Ų61.831%0.30532%0.319SS..  trans-65.8147.7-179.428.5-35.1000111.4M237 D241 K242 Y260M237-P239 WeakPolarHBondContact O-CD 3.41Å; P239-D241 VanDerWaalsContact C-N 3.28Å; P239-D241 PolarHBondContact O-N 3.02Å; P239-K242 HydrophobicContact CG-CB 4.16Å; P239-K242 PolarHBondContact O-N 2.86Å; P239-Y260 WeakPolarHBondContact CD-OH 3.48Å; P239-Y260 PolarHBondContact O-OH 3.47Å
240A93.7Very high94Very high4 Ų464.5 Ų64.53%0.03332%0.324CS..G310 helixtrans-63.8-36.1176.900000112K242 M243 F264 Y485 L486A240-K242 PolarHBondContact O-N 3.21Å; A240-M243 HydrophobicContact CB-CE 4.35Å; A240-M243 WeakPolarHBondContact O-CB 3.48Å; A240-M243 PolarHBondContact O-N 3.49Å; A240-F264 HydrophobicContact CB-CE2 3.67Å; A240-F264 HydrophobicContact CB-CZ 3.78Å; A240-Y485 HydrophobicContact CB-CD1 3.8Å; A240-Y485 HydrophobicContact CB-CE1 3.36Å; A240-L486 HydrophobicContact CB-CD2 4.33Å
241D94.1Very high94.2Very high116 Ų11669.8 Ų69.862%0.6235%0.346SS*.G310 helixtrans-63.7-26.3-176.4-57.2-50.5000112.9P239 M243 L244P239-D241 VanDerWaalsContact C-N 3.28Å; P239-D241 PolarHBondContact O-N 3.02Å; D241-M243 PolarHBondContact O-N 3.49Å; D241-L244 WeakPolarHBondContact O-CB 3.44Å; D241-L244 PolarHBondContact O-N 3.18Å
242K96.8Very high94.5Very high54 Ų5472.6 Ų72.624%0.23536%0.356CS..G310 helixtrans-60.9-32.3173.8-175.566178.7-174.20111.7P239 A240 L244 T245 E247 F248 Y260P239-K242 HydrophobicContact CG-CB 4.16Å; P239-K242 PolarHBondContact O-N 2.86Å; A240-K242 PolarHBondContact O-N 3.21Å; K242-L244 PolarHBondContact O-N 2.88Å; K242-T245 PolarHBondContact O-N 2.89Å; K242-T245 PolarHBondContact O-OG1 2.91Å; K242-T245 VanDerWaalsContact O-OG1 3.06Å; K242-E247 IonicContact NZ-OE1 3.41Å; K242-E247 PolarHBondContact NZ-OE1 3.27Å; K242-E247 IonicContact NZ-OE2 2.81Å; K242-E247 PolarHBondContact NZ-OE2 2.68Å; K242-F248 WeakPolarHBondContact O-CB 3.32Å; K242-F248 WeakPolarHBondContact O-CG 3.28Å; K242-Y260 WeakPolarHBondContact CB-OH 3.37Å; K242-Y260 HydrophobicContact CG-CE2 4.4Å
243M97.2Very high95Very high0 Ų073.1 Ų73.10%036%0.359CS..G310 helixtrans-69.9-17.9176.3-62.3-174.9-74.400112.9A240 D241 F248 Q249 Y260 M261 F264 V482 V495A240-M243 HydrophobicContact CB-CE 4.35Å; A240-M243 WeakPolarHBondContact O-CB 3.48Å; A240-M243 PolarHBondContact O-N 3.49Å; D241-M243 PolarHBondContact O-N 3.49Å; M243-F248 HydrophobicContact CB-CD1 4.24Å; M243-F248 HydrophobicContact CB-CE1 4.02Å; M243-F248 HydrophobicContact CB-CZ 4.3Å; M243-F248 HydrophobicContact CG-CE1 4.1Å; M243-F248 HydrophobicContact CG-CE2 4.21Å; M243-F248 HydrophobicContact CG-CZ 3.87Å; M243-F248 WeakPolarHBondContact O-CD1 3.4Å; M243-Q249 WeakPolarHBondContact O-CG 3.27Å; M243-Q249 PolarHBondContact O-NE2 2.61Å; M243-Y260 HydrophobicContact CG-CD1 3.64Å; M243-Y260 HydrophobicContact CG-CE1 3.56Å; M243-Y260 HydrophobicContact SD-CD1 4.04Å; M243-Y260 HydrophobicContact SD-CE1 4.2Å; M243-M261 HydrophobicContact SD-CG 3.86Å; M243-F264 HydrophobicContact CE-CD1 3.53Å; M243-F264 HydrophobicContact CE-CD2 4.03Å; M243-F264 HydrophobicContact CE-CE1 3.64Å; M243-F264 HydrophobicContact CE-CE2 4.12Å; M243-F264 HydrophobicContact CE-CG 3.75Å; M243-F264 HydrophobicContact CE-CZ 3.94Å; M243-F264 HydrophobicContact SD-CD1 4.34Å; M243-F264 HydrophobicContact SD-CG 4.41Å; M243-V482 HydrophobicContact CE-CG2 4.14Å; M243-V482 HydrophobicContact SD-CG2 3.97Å; M243-V495 HydrophobicContact CB-CG1 4.03Å; M243-V495 HydrophobicContact CB-CG2 3.91Å; M243-V495 HydrophobicContact SD-CG1 4.2Å
244L97Very high95.3Very high52 Ų5268.6 Ų68.627%0.27234%0.34SS..G310 helixtrans-91.5-4.3-179.5-60175.2000113D241 K242 L486 L491 V495D241-L244 WeakPolarHBondContact O-CB 3.44Å; D241-L244 PolarHBondContact O-N 3.18Å; K242-L244 PolarHBondContact O-N 2.88Å; L244-L486 HydrophobicContact CD1-CD2 4.37Å; L244-L486 HydrophobicContact CD2-CD1 4.27Å; L244-L491 HydrophobicContact CD1-CD2 4.01Å; L244-L491 HydrophobicContact CD2-CB 4.2Å; L244-L491 HydrophobicContact CD2-CD2 4.08Å; L244-V495 HydrophobicContact CD2-CG2 3.73Å
245T98Very high95.5Very high51 Ų5170 Ų7031%0.31335%0.35SS..SBendtrans-81.5149.6179.469.60000112K242 E247 F248 Q249K242-T245 PolarHBondContact O-N 2.89Å; K242-T245 PolarHBondContact O-OG1 2.91Å; K242-T245 VanDerWaalsContact O-OG1 3.06Å; T245-E247 VanDerWaalsContact C-N 3.29Å; T245-E247 PolarHBondContact O-N 3.39Å; T245-F248 PolarHBondContact O-N 3.34Å; T245-F248 PolarHBondContact OG1-N 3.01Å; T245-Q249 WeakPolarHBondContact O-CG 3.41Å; T245-Q249 PolarHBondContact O-N 3.46Å
246D97.1Very high96Very high113 Ų11371.1 Ų71.160%0.60436%0.361SS*.Hα-helixtrans-62-38.6176.1-67.4-31.8000111.7F248 Q249 Y250D246-F248 VanDerWaalsContact C-N 3.32Å; D246-F248 PolarHBondContact O-N 3.42Å; D246-Q249 PolarHBondContact O-N 3.19Å; D246-Y250 HydrophobicContact CB-CD2 3.96Å; D246-Y250 HydrophobicContact CB-CE2 4.35Å; D246-Y250 WeakPolarHBondContact O-CB 3.41Å; D246-Y250 WeakPolarHBondContact O-CD2 3.3Å; D246-Y250 PolarHBondContact O-N 3.17Å; D246-Y250 WeakPolarHBondContact OD1-CE2 3.46Å
247E97.7Very high96.4Very high73 Ų7368 Ų6834%0.34133%0.333SS..Iπ-helixtrans-52.7-49.1173.4-173.7-153.3137.900111.3K242 T245 E251 W252K242-E247 IonicContact NZ-OE1 3.41Å; K242-E247 PolarHBondContact NZ-OE1 3.27Å; K242-E247 IonicContact NZ-OE2 2.81Å; K242-E247 PolarHBondContact NZ-OE2 2.68Å; T245-E247 VanDerWaalsContact C-N 3.29Å; T245-E247 PolarHBondContact O-N 3.39Å; E247-E251 WeakPolarHBondContact O-CA 3.42Å; E247-E251 VanDerWaalsContact O-CB 3.27Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 PolarHBondContact O-N 3.38Å; E247-W252 PolarHBondContact O-N 3.25Å; E247-W252 PolarHBondContact OE1-NE1 3.48Å
248F97.7Very high96.6Very high0 Ų064.1 Ų64.10%031%0.314CS..Iπ-helixtrans-65.2-48.3178.1178.9-87.9000111K242 M243 T245 D246 W252 R257 Y260 M261K242-F248 WeakPolarHBondContact O-CB 3.32Å; K242-F248 WeakPolarHBondContact O-CG 3.28Å; M243-F248 HydrophobicContact CB-CD1 4.24Å; M243-F248 HydrophobicContact CB-CE1 4.02Å; M243-F248 HydrophobicContact CB-CZ 4.3Å; M243-F248 HydrophobicContact CG-CE1 4.1Å; M243-F248 HydrophobicContact CG-CE2 4.21Å; M243-F248 HydrophobicContact CG-CZ 3.87Å; M243-F248 WeakPolarHBondContact O-CD1 3.4Å; T245-F248 PolarHBondContact O-N 3.34Å; T245-F248 PolarHBondContact OG1-N 3.01Å; D246-F248 VanDerWaalsContact C-N 3.32Å; D246-F248 PolarHBondContact O-N 3.42Å; F248-W252 AromaticContact CD2-CD2 3.88Å; F248-W252 HydrophobicContact CD2-CD2 3.88Å; F248-W252 AromaticContact CD2-CE3 3.42Å; F248-W252 HydrophobicContact CD2-CE3 3.42Å; F248-W252 VanDerWaalsContact CD2-CE3 3.42Å; F248-W252 HydrophobicContact CD2-CH2 4.22Å; F248-W252 AromaticContact CD2-CZ3 3.61Å; F248-W252 HydrophobicContact CD2-CZ3 3.61Å; F248-W252 AromaticContact CE2-CE3 3.68Å; F248-W252 HydrophobicContact CE2-CE3 3.68Å; F248-W252 AromaticContact CE2-CZ3 3.74Å; F248-W252 HydrophobicContact CE2-CZ3 3.74Å; F248-W252 HydrophobicContact CG-CE3 4.44Å; F248-W252 WeakPolarHBondContact O-CB 3.45Å; F248-R257 HydrophobicContact CD1-CG 3.98Å; F248-R257 HydrophobicContact CD2-CG 4.37Å; F248-R257 HydrophobicContact CE1-CB 3.96Å; F248-R257 HydrophobicContact CE1-CG 3.62Å; F248-R257 HydrophobicContact CE2-CB 4.27Å; F248-R257 HydrophobicContact CE2-CG 4.05Å; F248-R257 HydrophobicContact CG-CG 4.34Å; F248-R257 HydrophobicContact CZ-CB 3.68Å; F248-R257 HydrophobicContact CZ-CG 3.66Å; F248-R257 WeakPolarHBondContact O-CD 3.35Å; F248-R257 VanDerWaalsContact O-CG 3.29Å; F248-R257 WeakPolarHBondContact O-CG 3.45Å; F248-R257 PolarHBondContact O-NH1 2.88Å; F248-Y260 AromaticContact CE2-CD1 3.85Å; F248-Y260 HydrophobicContact CE2-CD1 3.85Å; F248-Y260 HydrophobicContact CE2-CD2 4.46Å; F248-Y260 AromaticContact CE2-CG 3.76Å; F248-Y260 HydrophobicContact CE2-CG 3.76Å; F248-Y260 HydrophobicContact CZ-CD1 4.3Å; F248-Y260 HydrophobicContact CZ-CG 4.48Å; F248-M261 HydrophobicContact CZ-CG 4.49Å
249Q97.1Very high96.7Very high10 Ų1065.4 Ų65.45%0.04733%0.325CS..Iπ-helixtrans-73.2-32.1-169.9-67.4-172.619.300113.9M243 T245 D246 R257 S494M243-Q249 WeakPolarHBondContact O-CG 3.27Å; M243-Q249 PolarHBondContact O-NE2 2.61Å; T245-Q249 WeakPolarHBondContact O-CG 3.41Å; T245-Q249 PolarHBondContact O-N 3.46Å; D246-Q249 PolarHBondContact O-N 3.19Å; Q249-R257 PolarHBondContact O-NH1 3.45Å; Q249-S494 PolarHBondContact NE2-OG 3.22Å; Q249-S494 PolarHBondContact OE1-OG 3.32Å
250Y96.1Very high96.9Very high166 Ų16664 Ų6465%0.65131%0.314SS*.Iπ-helixtrans-116.6-33.2-171.9-57.4-70.2000114D246D246-Y250 HydrophobicContact CB-CD2 3.96Å; D246-Y250 HydrophobicContact CB-CE2 4.35Å; D246-Y250 WeakPolarHBondContact O-CB 3.41Å; D246-Y250 WeakPolarHBondContact O-CD2 3.3Å; D246-Y250 PolarHBondContact O-N 3.17Å; D246-Y250 WeakPolarHBondContact OD1-CE2 3.46Å
251E97.2Very high97.1Very high152 Ų15263.8 Ų63.871%0.7131%0.313SS*.Iπ-helixtrans-94.1-37.1-175-55.3179.2-170.900113.1E247E247-E251 WeakPolarHBondContact O-CA 3.42Å; E247-E251 VanDerWaalsContact O-CB 3.27Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 PolarHBondContact O-N 3.38Å
252W98.1Very high97.2Very high73 Ų7359.9 Ų59.928%0.27729%0.291SS..SBendtrans-63.9155.7-179.8-72.725.6000111.3E247 F248 R257 Y260E247-W252 PolarHBondContact O-N 3.25Å; E247-W252 PolarHBondContact OE1-NE1 3.48Å; F248-W252 AromaticContact CD2-CD2 3.88Å; F248-W252 HydrophobicContact CD2-CD2 3.88Å; F248-W252 AromaticContact CD2-CE3 3.42Å; F248-W252 HydrophobicContact CD2-CE3 3.42Å; F248-W252 VanDerWaalsContact CD2-CE3 3.42Å; F248-W252 HydrophobicContact CD2-CH2 4.22Å; F248-W252 AromaticContact CD2-CZ3 3.61Å; F248-W252 HydrophobicContact CD2-CZ3 3.61Å; F248-W252 AromaticContact CE2-CE3 3.68Å; F248-W252 HydrophobicContact CE2-CE3 3.68Å; F248-W252 AromaticContact CE2-CZ3 3.74Å; F248-W252 HydrophobicContact CE2-CZ3 3.74Å; F248-W252 HydrophobicContact CG-CE3 4.44Å; F248-W252 WeakPolarHBondContact O-CB 3.45Å; W252-R257 HydrophobicContact CB-CG 4.05Å; W252-R257 PolarHBondContact O-NH1 2.88Å; W252-Y260 HydrophobicContact CH2-CD2 4.07Å; W252-Y260 HydrophobicContact CH2-CE2 4.38Å; W252-Y260 AromaticContact CZ3-CD2 3.82Å; W252-Y260 HydrophobicContact CZ3-CD2 3.82Å; W252-Y260 HydrophobicContact CZ3-CG 4.25Å
253S97.8Very high97.2Very high60 Ų6059.7 Ų59.742%0.4229%0.292SS..  trans-68.4154.3171.687.20000111F255 S256 R257S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 2.98Å; S253-F255 PolarHBondContact OG-N 3.39Å; S253-S256 PolarHBondContact O-N 3.36Å; S253-S256 WeakPolarHBondContact OG-CB 3.25Å; S253-S256 PolarHBondContact OG-N 2.72Å; S253-S256 PolarHBondContact OG-OG 3.01Å; S253-R257 PolarHBondContact O-N 2.92Å
254F96.6Very high97.1Very high55 Ų5559.7 Ų59.724%0.24129%0.292CS..Hα-helixtrans-52.6-46.7173.6166.6-98.9000112.3S256 R257 L258 V499 Y500 I502F254-S256 PolarHBondContact O-N 3.4Å; F254-R257 PolarHBondContact O-N 3.36Å; F254-L258 HydrophobicContact CE1-CD2 4.32Å; F254-L258 HydrophobicContact CZ-CD2 4.21Å; F254-L258 PolarHBondContact O-N 3.01Å; F254-V499 HydrophobicContact CD2-CB 4.45Å; F254-V499 HydrophobicContact CE2-CB 4.1Å; F254-Y500 AromaticContact CD2-CD2 3.88Å; F254-Y500 HydrophobicContact CD2-CD2 3.88Å; F254-Y500 HydrophobicContact CD2-CE2 4.11Å; F254-Y500 HydrophobicContact CE2-CD2 4.14Å; F254-I502 HydrophobicContact CE2-CB 4.41Å; F254-I502 HydrophobicContact CE2-CG2 4.28Å; F254-I502 HydrophobicContact CZ-CB 4.29Å; F254-I502 HydrophobicContact CZ-CG1 4.22Å; F254-I502 HydrophobicContact CZ-CG2 4.22Å
255F96.4Very high97Very high157 Ų15757.2 Ų57.269%0.68928%0.279SS*.Hα-helixtrans-67.6-36.7-178.5-66.3-67.3000112.2S253 L258 L259S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 2.98Å; S253-F255 PolarHBondContact OG-N 3.39Å; F255-L258 PolarHBondContact O-N 3.17Å; F255-L259 VanDerWaalsContact O-CB 3.28Å; F255-L259 WeakPolarHBondContact O-CB 3.45Å; F255-L259 PolarHBondContact O-N 2.9Å
256S97.5Very high96.8Very high55 Ų5555.9 Ų55.939%0.38527%0.27SS..Hα-helixtrans-63.8-44.3175.7-570000111.4S253 F254 L259 Y260S253-S256 PolarHBondContact O-N 3.36Å; S253-S256 WeakPolarHBondContact OG-CB 3.25Å; S253-S256 PolarHBondContact OG-N 2.72Å; S253-S256 PolarHBondContact OG-OG 3.01Å; F254-S256 PolarHBondContact O-N 3.4Å; S256-L259 PolarHBondContact O-N 3.36Å; S256-Y260 WeakPolarHBondContact O-CB 3.4Å; S256-Y260 PolarHBondContact O-N 3.16Å
257R97.8Very high96.6Very high13 Ų1350.9 Ų50.95%0.04924%0.243CC..Hα-helixtrans-60-49.1174.9-75.3-164-78-77.60.6112F248 Q249 W252 S253 F254 L259 Y260 M261 S498 V499F248-R257 HydrophobicContact CD1-CG 3.98Å; F248-R257 HydrophobicContact CD2-CG 4.37Å; F248-R257 HydrophobicContact CE1-CB 3.96Å; F248-R257 HydrophobicContact CE1-CG 3.62Å; F248-R257 HydrophobicContact CE2-CB 4.27Å; F248-R257 HydrophobicContact CE2-CG 4.05Å; F248-R257 HydrophobicContact CG-CG 4.34Å; F248-R257 HydrophobicContact CZ-CB 3.68Å; F248-R257 HydrophobicContact CZ-CG 3.66Å; F248-R257 WeakPolarHBondContact O-CD 3.35Å; F248-R257 VanDerWaalsContact O-CG 3.29Å; F248-R257 WeakPolarHBondContact O-CG 3.45Å; F248-R257 PolarHBondContact O-NH1 2.88Å; Q249-R257 PolarHBondContact O-NH1 3.45Å; W252-R257 HydrophobicContact CB-CG 4.05Å; W252-R257 PolarHBondContact O-NH1 2.88Å; S253-R257 PolarHBondContact O-N 2.92Å; F254-R257 PolarHBondContact O-N 3.36Å; R257-L259 PolarHBondContact O-N 3.4Å; R257-Y260 WeakPolarHBondContact O-CB 3.21Å; R257-Y260 PolarHBondContact O-N 3.24Å; R257-M261 WeakPolarHBondContact O-CG 3.42Å; R257-M261 PolarHBondContact O-N 3.49Å; R257-S498 WeakPolarHBondContact CD-OG 3.5Å; R257-S498 VanDerWaalsContact CZ-O 3.27Å; R257-S498 PolarHBondContact NE-O 3.42Å; R257-S498 PolarHBondContact NH2-O 3.41Å; R257-V499 HydrophobicContact CB-CG1 3.7Å
258L96.7Very high96.3Very high22 Ų2247.7 Ų47.712%0.11523%0.228CC..Hα-helixtrans-62.1-43.9-179.5-179.360.3000111.6F254 F255 Y260 M261 I262 F475 I502F254-L258 HydrophobicContact CE1-CD2 4.32Å; F254-L258 HydrophobicContact CZ-CD2 4.21Å; F254-L258 PolarHBondContact O-N 3.01Å; F255-L258 PolarHBondContact O-N 3.17Å; L258-Y260 VanDerWaalsContact C-N 3.33Å; L258-Y260 PolarHBondContact O-N 3.25Å; L258-M261 PolarHBondContact O-N 3.09Å; L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 WeakPolarHBondContact O-CG1 3.12Å; L258-I262 PolarHBondContact O-N 2.96Å; L258-F475 HydrophobicContact CD1-CD2 4.3Å; L258-F475 HydrophobicContact CD1-CE2 4.21Å; L258-F475 HydrophobicContact CD2-CD2 4.22Å; L258-F475 HydrophobicContact CD2-CE2 4.17Å; L258-I502 HydrophobicContact CD1-CG2 4.1Å
259L96.9Very high96Very high101 Ų10148.3 Ų48.353%0.52923%0.231SC..Hα-helixtrans-61.2-42.9176.9-179.860.3000111.5F255 S256 R257 M261 I262 I263F255-L259 VanDerWaalsContact O-CB 3.28Å; F255-L259 WeakPolarHBondContact O-CB 3.45Å; F255-L259 PolarHBondContact O-N 2.9Å; S256-L259 PolarHBondContact O-N 3.36Å; R257-L259 PolarHBondContact O-N 3.4Å; L259-M261 PolarHBondContact O-N 3.36Å; L259-I262 PolarHBondContact O-N 3.01Å; L259-I263 HydrophobicContact CD1-CD1 4.07Å; L259-I263 HydrophobicContact CD1-CG1 4.33Å; L259-I263 HydrophobicContact CG-CD1 3.94Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 2.97Å
260Y97.8Very high95.8Very high17 Ų1750 Ų507%0.06724%0.24CC..Hα-helixtrans-60.3-45.5175.8-169.6-81.3000111.6Y238 P239 K242 M243 F248 W252 S256 R257 L258 I262 I263 F264Y238-Y260 VanDerWaalsContact CA-OH 3.25Å; Y238-Y260 WeakPolarHBondContact CA-OH 3.29Å; Y238-Y260 AromaticContact CD1-CD2 3.75Å; Y238-Y260 HydrophobicContact CD1-CD2 3.75Å; Y238-Y260 AromaticContact CD1-CE2 3.48Å; Y238-Y260 HydrophobicContact CD1-CE2 3.48Å; Y238-Y260 VanDerWaalsContact CD1-CE2 3.48Å; Y238-Y260 HydrophobicContact CD1-CG 4.45Å; Y238-Y260 AromaticContact CD1-CZ 3.98Å; Y238-Y260 HydrophobicContact CE1-CD2 4.1Å; Y238-Y260 HydrophobicContact CE1-CE2 4.15Å; Y238-Y260 HydrophobicContact CG-CE2 4.37Å; P239-Y260 WeakPolarHBondContact CD-OH 3.48Å; P239-Y260 PolarHBondContact O-OH 3.47Å; K242-Y260 WeakPolarHBondContact CB-OH 3.37Å; K242-Y260 HydrophobicContact CG-CE2 4.4Å; M243-Y260 HydrophobicContact CG-CD1 3.64Å; M243-Y260 HydrophobicContact CG-CE1 3.56Å; M243-Y260 HydrophobicContact SD-CD1 4.04Å; M243-Y260 HydrophobicContact SD-CE1 4.2Å; F248-Y260 AromaticContact CE2-CD1 3.85Å; F248-Y260 HydrophobicContact CE2-CD1 3.85Å; F248-Y260 HydrophobicContact CE2-CD2 4.46Å; F248-Y260 AromaticContact CE2-CG 3.76Å; F248-Y260 HydrophobicContact CE2-CG 3.76Å; F248-Y260 HydrophobicContact CZ-CD1 4.3Å; F248-Y260 HydrophobicContact CZ-CG 4.48Å; W252-Y260 HydrophobicContact CH2-CD2 4.07Å; W252-Y260 HydrophobicContact CH2-CE2 4.38Å; W252-Y260 AromaticContact CZ3-CD2 3.82Å; W252-Y260 HydrophobicContact CZ3-CD2 3.82Å; W252-Y260 HydrophobicContact CZ3-CG 4.25Å; S256-Y260 WeakPolarHBondContact O-CB 3.4Å; S256-Y260 PolarHBondContact O-N 3.16Å; R257-Y260 WeakPolarHBondContact O-CB 3.21Å; R257-Y260 PolarHBondContact O-N 3.24Å; L258-Y260 VanDerWaalsContact C-N 3.33Å; L258-Y260 PolarHBondContact O-N 3.25Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.2Å; Y260-I263 PolarHBondContact O-N 2.97Å; Y260-F264 HydrophobicContact CD1-CB 4.45Å; Y260-F264 HydrophobicContact CE1-CB 4.43Å; Y260-F264 VanDerWaalsContact O-CB 3.22Å; Y260-F264 WeakPolarHBondContact O-CB 3.41Å; Y260-F264 PolarHBondContact O-N 3.39Å
261M97.4Very high95.6Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-61.1-39.7176.7-68.6170.561.400112.4M243 F248 R257 L258 L259 G265 A478 V482 V495 L496 V499M243-M261 HydrophobicContact SD-CG 3.86Å; F248-M261 HydrophobicContact CZ-CG 4.49Å; R257-M261 WeakPolarHBondContact O-CG 3.42Å; R257-M261 PolarHBondContact O-N 3.49Å; L258-M261 PolarHBondContact O-N 3.09Å; L259-M261 PolarHBondContact O-N 3.36Å; M261-G265 PolarHBondContact O-N 3.09Å; M261-A478 HydrophobicContact CB-CB 4.18Å; M261-V482 HydrophobicContact CB-CG2 4.19Å; M261-V482 HydrophobicContact CE-CB 4.39Å; M261-V482 HydrophobicContact CE-CG2 3.94Å; M261-V482 HydrophobicContact CG-CG2 4.1Å; M261-V495 HydrophobicContact CE-CG1 4.47Å; M261-V495 HydrophobicContact CG-CG1 4.46Å; M261-V495 HydrophobicContact SD-CG1 4.14Å; M261-L496 HydrophobicContact CE-CD2 3.59Å; M261-V499 HydrophobicContact CE-CG2 3.99Å; M261-V499 HydrophobicContact SD-CB 4.35Å; M261-V499 HydrophobicContact SD-CG1 3.7Å; M261-V499 HydrophobicContact SD-CG2 3.76Å
262I96.9Very high95.2Very high33 Ų3341.4 Ų41.417%0.16920%0.201CC..Hα-helixtrans-62-50.8175.6-70.1167.3000110.1L258 L259 Y260 G265 Q266 Y474 A478L258-I262 HydrophobicContact CD1-CD1 4.48Å; L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 WeakPolarHBondContact O-CG1 3.12Å; L258-I262 PolarHBondContact O-N 2.96Å; L259-I262 PolarHBondContact O-N 3.01Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.2Å; I262-G265 PolarHBondContact O-N 2.7Å; I262-Q266 WeakPolarHBondContact O-CG 3.31Å; I262-Q266 PolarHBondContact O-N 2.97Å; I262-Y474 HydrophobicContact CG2-CG 4.44Å; I262-A478 HydrophobicContact CG1-CB 3.76Å
263I96.4Very high95Very high50 Ų5038 Ų3826%0.25619%0.188SC..Hα-helixtrans-61.4-48.5-179.6-67.3167.4000110.3Y238 L259 Y260 G265 Q266 I267Y238-I263 HydrophobicContact CD1-CB 4.35Å; Y238-I263 HydrophobicContact CD1-CG2 3.72Å; Y238-I263 HydrophobicContact CD2-CG2 4.06Å; Y238-I263 HydrophobicContact CE1-CB 4.22Å; Y238-I263 HydrophobicContact CE1-CD1 4.04Å; Y238-I263 HydrophobicContact CE1-CG2 3.62Å; Y238-I263 HydrophobicContact CE2-CG2 3.98Å; Y238-I263 HydrophobicContact CG-CG2 3.95Å; L259-I263 HydrophobicContact CD1-CD1 4.07Å; L259-I263 HydrophobicContact CD1-CG1 4.33Å; L259-I263 HydrophobicContact CG-CD1 3.94Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 2.97Å; Y260-I263 PolarHBondContact O-N 2.97Å; I263-G265 PolarHBondContact O-N 3.35Å; I263-Q266 PolarHBondContact O-N 2.89Å; I263-I267 HydrophobicContact CG2-CD1 3.59Å; I263-I267 HydrophobicContact CG2-CG1 4.32Å; I263-I267 WeakPolarHBondContact O-CG1 3.23Å; I263-I267 PolarHBondContact O-N 3Å
264F95.8Very high94.9Very high0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-55.2-48.1176.7172.4-96.3000112.1F235 Y238 A240 M243 Y260 Q266 I267 T268 V482 Y485F235-F264 AromaticContact CE2-CE2 3.94Å; F235-F264 HydrophobicContact CE2-CE2 3.94Å; Y238-F264 WeakPolarHBondContact O-CD2 3.38Å; A240-F264 HydrophobicContact CB-CE2 3.67Å; A240-F264 HydrophobicContact CB-CZ 3.78Å; M243-F264 HydrophobicContact CE-CD1 3.53Å; M243-F264 HydrophobicContact CE-CD2 4.03Å; M243-F264 HydrophobicContact CE-CE1 3.64Å; M243-F264 HydrophobicContact CE-CE2 4.12Å; M243-F264 HydrophobicContact CE-CG 3.75Å; M243-F264 HydrophobicContact CE-CZ 3.94Å; M243-F264 HydrophobicContact SD-CD1 4.34Å; M243-F264 HydrophobicContact SD-CG 4.41Å; Y260-F264 HydrophobicContact CD1-CB 4.45Å; Y260-F264 HydrophobicContact CE1-CB 4.43Å; Y260-F264 VanDerWaalsContact O-CB 3.22Å; Y260-F264 WeakPolarHBondContact O-CB 3.41Å; Y260-F264 PolarHBondContact O-N 3.39Å; F264-Q266 PolarHBondContact O-N 3.22Å; F264-I267 PolarHBondContact O-N 2.98Å; F264-T268 WeakPolarHBondContact CZ-OG1 3.42Å; F264-T268 VanDerWaalsContact O-CB 3.29Å; F264-T268 WeakPolarHBondContact O-CB 3.15Å; F264-T268 PolarHBondContact O-N 3.49Å; F264-T268 PolarHBondContact O-OG1 3.36Å; F264-V482 HydrophobicContact CD1-CG2 4.13Å; F264-V482 HydrophobicContact CE1-CG2 4.46Å; F264-Y485 HydrophobicContact CE1-CD1 4.4Å; F264-Y485 HydrophobicContact CE1-CG 4.14Å; F264-Y485 AromaticContact CZ-CD1 3.66Å; F264-Y485 HydrophobicContact CZ-CD1 3.66Å; F264-Y485 AromaticContact CZ-CD2 3.99Å; F264-Y485 HydrophobicContact CZ-CD2 3.99Å; F264-Y485 HydrophobicContact CZ-CE1 4.1Å; F264-Y485 HydrophobicContact CZ-CE2 4.37Å; F264-Y485 AromaticContact CZ-CG 3.62Å; F264-Y485 HydrophobicContact CZ-CG 3.62Å
265G94Very high94.8Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-61.6-41.6179.400000112.5M261 I262 I263 L269M261-G265 PolarHBondContact O-N 3.09Å; I262-G265 PolarHBondContact O-N 2.7Å; I263-G265 PolarHBondContact O-N 3.35Å; G265-L269 WeakPolarHBondContact O-CB 3.46Å; G265-L269 PolarHBondContact O-N 3.25Å
266Q93.1Very high94.7Very high24 Ų2428.5 Ų28.511%0.11214%0.14CC..Hα-helixtrans-66.2-46.5176.7-67.5-56-56.200112.3I262 I263 F264 T268 L269 L270 Y369 Y474 L477I262-Q266 WeakPolarHBondContact O-CG 3.31Å; I262-Q266 PolarHBondContact O-N 2.97Å; I263-Q266 PolarHBondContact O-N 2.89Å; F264-Q266 PolarHBondContact O-N 3.22Å; Q266-T268 VanDerWaalsContact C-N 3.33Å; Q266-T268 PolarHBondContact O-N 2.97Å; Q266-L269 PolarHBondContact O-N 2.83Å; Q266-L270 VanDerWaalsContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CB 3.33Å; Q266-L270 VanDerWaalsContact O-CG 3.23Å; Q266-L270 WeakPolarHBondContact O-CG 3.23Å; Q266-L270 PolarHBondContact O-N 3.19Å; Q266-Y369 PolarHBondContact OE1-OH 3.11Å; Q266-Y474 HydrophobicContact CG-CD1 3.96Å; Q266-Y474 HydrophobicContact CG-CE1 4.07Å; Q266-L477 VanDerWaalsContact NE2-CD1 3.34Å
267I94Very high94.6Very high7 Ų726.1 Ų26.14%0.03612%0.123CC..Hα-helixtrans-59.7-48.7178.5-67.7166.8000109.7L231 W234 F235 Y238 I263 F264 L269 L270 R271L231-I267 HydrophobicContact CD2-CG2 4.49Å; W234-I267 HydrophobicContact CB-CD1 3.96Å; W234-I267 HydrophobicContact CB-CG1 4.33Å; W234-I267 HydrophobicContact CB-CG2 4.46Å; W234-I267 HydrophobicContact CE3-CG1 4.41Å; F235-I267 HydrophobicContact CB-CG2 3.82Å; F235-I267 HydrophobicContact CD2-CG2 4.03Å; F235-I267 HydrophobicContact CG-CG2 4.46Å; Y238-I267 HydrophobicContact CD2-CD1 3.61Å; Y238-I267 HydrophobicContact CE2-CD1 4.35Å; Y238-I267 HydrophobicContact CG-CD1 3.93Å; I263-I267 HydrophobicContact CG2-CD1 3.59Å; I263-I267 HydrophobicContact CG2-CG1 4.32Å; I263-I267 WeakPolarHBondContact O-CG1 3.23Å; I263-I267 PolarHBondContact O-N 3Å; F264-I267 PolarHBondContact O-N 2.98Å; I267-L269 PolarHBondContact O-N 3.27Å; I267-L270 PolarHBondContact O-N 2.87Å; I267-R271 WeakPolarHBondContact O-CG 3.45Å; I267-R271 PolarHBondContact O-N 3.06Å
268T90.5Very high94.5Very high6 Ų625.5 Ų25.54%0.03712%0.12CC..Hα-helixtrans-56.6-53.5-179.7-63.30000110.8F264 Q266 L270 R271 Y272 Y485F264-T268 WeakPolarHBondContact CZ-OG1 3.42Å; F264-T268 VanDerWaalsContact O-CB 3.29Å; F264-T268 WeakPolarHBondContact O-CB 3.15Å; F264-T268 PolarHBondContact O-N 3.49Å; F264-T268 PolarHBondContact O-OG1 3.36Å; Q266-T268 VanDerWaalsContact C-N 3.33Å; Q266-T268 PolarHBondContact O-N 2.97Å; T268-L270 PolarHBondContact O-N 2.87Å; T268-R271 PolarHBondContact O-N 2.95Å; T268-Y272 HydrophobicContact CG2-CD2 4.5Å; T268-Y272 HydrophobicContact CG2-CE2 3.83Å; T268-Y272 WeakPolarHBondContact O-CD2 3.5Å; T268-Y485 HydrophobicContact CG2-CD2 3.69Å; T268-Y485 HydrophobicContact CG2-CE2 4.33Å
269L92Very high94.5Very high13 Ų1324.5 Ų24.57%0.06812%0.115CC..Hα-helixtrans-64.2-39.6-177.9-161.865000112.6G265 Q266 I267 R271 Y272 V273 Y369 F382 M481G265-L269 WeakPolarHBondContact O-CB 3.46Å; G265-L269 PolarHBondContact O-N 3.25Å; Q266-L269 PolarHBondContact O-N 2.83Å; I267-L269 PolarHBondContact O-N 3.27Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 2.87Å; L269-Y272 PolarHBondContact O-N 3.5Å; L269-V273 PolarHBondContact O-N 2.79Å; L269-V273 VanDerWaalsContact O-N 3.15Å; L269-Y369 HydrophobicContact CD2-CE2 3.68Å; L269-Y369 WeakPolarHBondContact CD2-OH 3.48Å; L269-F382 HydrophobicContact CD1-CD2 4.43Å; L269-F382 HydrophobicContact CD1-CE1 4.39Å; L269-F382 HydrophobicContact CD1-CE2 3.47Å; L269-F382 VanDerWaalsContact CD1-CE2 3.47Å; L269-F382 HydrophobicContact CD1-CZ 3.45Å; L269-F382 VanDerWaalsContact CD1-CZ 3.45Å; L269-F382 HydrophobicContact CD2-CD2 4.31Å; L269-F382 HydrophobicContact CD2-CE2 4.1Å; L269-F382 HydrophobicContact CG-CD2 4.4Å; L269-F382 HydrophobicContact CG-CE2 3.77Å; L269-F382 HydrophobicContact CG-CZ 4.26Å; L269-M481 HydrophobicContact CB-SD 4.41Å; L269-M481 HydrophobicContact CD1-SD 3.87Å
270L93.2Very high94.4Very high45 Ų4519.8 Ų19.824%0.2369%0.09CC..Hα-helixtrans-67.9-28.2-179.8-72.1172.8000112.7L231 Q266 I267 T268 V273 S274 Y369L231-L270 VanDerWaalsContact CD1-C 3.46Å; L231-L270 HydrophobicContact CD1-CB 3.53Å; L231-L270 WeakPolarHBondContact CD1-O 3.24Å; L231-L270 HydrophobicContact CD2-CB 3.98Å; L231-L270 HydrophobicContact CD2-CD1 4.36Å; L231-L270 HydrophobicContact CG-CB 4.43Å; Q266-L270 VanDerWaalsContact O-CB 3.31Å; Q266-L270 WeakPolarHBondContact O-CB 3.33Å; Q266-L270 VanDerWaalsContact O-CG 3.23Å; Q266-L270 WeakPolarHBondContact O-CG 3.23Å; Q266-L270 PolarHBondContact O-N 3.19Å; I267-L270 PolarHBondContact O-N 2.87Å; T268-L270 PolarHBondContact O-N 2.87Å; L270-V273 WeakPolarHBondContact O-CB 3.2Å; L270-V273 PolarHBondContact O-N 3.21Å; L270-S274 PolarHBondContact O-N 3.46Å; L270-S274 PolarHBondContact O-OG 3.45Å; L270-Y369 HydrophobicContact CD2-CD1 4.16Å; L270-Y369 HydrophobicContact CD2-CE1 3.74Å; L270-Y369 HydrophobicContact CG-CE1 4.4Å
271R91.6Very high94.3Very high77 Ų7719 Ų1929%0.2919%0.087SC..Hα-helixtrans-63.2-43.2173.5-74.2176.970.1-155.70.7111.6L231 F235 I267 T268 L269 V273 S274 I275L231-R271 HydrophobicContact CB-CG 3.62Å; L231-R271 HydrophobicContact CD1-CG 4.38Å; F235-R271 VanDerWaalsContact CD2-NH1 3.3Å; I267-R271 WeakPolarHBondContact O-CG 3.45Å; I267-R271 PolarHBondContact O-N 3.06Å; T268-R271 PolarHBondContact O-N 2.95Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 2.87Å; R271-V273 VanDerWaalsContact C-N 3.31Å; R271-V273 PolarHBondContact O-N 3.15Å; R271-S274 WeakPolarHBondContact O-CB 3.43Å; R271-S274 PolarHBondContact O-N 3.39Å; R271-I275 PolarHBondContact O-N 2.84Å
272Y89.4Confident94.3Very high61 Ų6119 Ų1924%0.2399%0.088CC..Hα-helixtrans-62.4-41.8173.9-66.4-79.1000111.3Y114 T268 L269 S274 I275 W276Y114-Y272 HydrophobicContact CE2-CE1 4.19Å; Y114-Y272 AromaticContact CZ-CE1 3.97Å; T268-Y272 HydrophobicContact CG2-CD2 4.5Å; T268-Y272 HydrophobicContact CG2-CE2 3.83Å; T268-Y272 WeakPolarHBondContact O-CD2 3.5Å; L269-Y272 PolarHBondContact O-N 3.5Å; Y272-S274 VanDerWaalsContact C-N 3.31Å; Y272-S274 PolarHBondContact O-N 2.97Å; Y272-I275 PolarHBondContact O-N 2.88Å; Y272-W276 PolarHBondContact O-N 3.45Å
273V93.8Very high94.3Very high2 Ų217.5 Ų17.51%0.0128%0.08CC..Hα-helixtrans-58.4-40.7175.2161.30000112L269 L270 R271 I275 W276 L277 I364 L366 F382L269-V273 PolarHBondContact O-N 2.79Å; L269-V273 VanDerWaalsContact O-N 3.15Å; L270-V273 WeakPolarHBondContact O-CB 3.2Å; L270-V273 PolarHBondContact O-N 3.21Å; R271-V273 VanDerWaalsContact C-N 3.31Å; R271-V273 PolarHBondContact O-N 3.15Å; V273-I275 PolarHBondContact O-N 2.79Å; V273-W276 PolarHBondContact O-N 2.93Å; V273-L277 HydrophobicContact CG1-CD1 4.05Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 VanDerWaalsContact O-CG 3.31Å; V273-L277 WeakPolarHBondContact O-CG 3.29Å; V273-L277 PolarHBondContact O-N 3.38Å; V273-I364 HydrophobicContact CB-CG1 4.43Å; V273-I364 HydrophobicContact CG1-CB 4.4Å; V273-I364 HydrophobicContact CG1-CG1 3.76Å; V273-I364 HydrophobicContact CG1-CG2 4.16Å; V273-I364 HydrophobicContact CG2-CD1 3.83Å; V273-I364 HydrophobicContact CG2-CG1 3.9Å; V273-L366 HydrophobicContact CG1-CD2 3.63Å; V273-F382 HydrophobicContact CG2-CD2 4.37Å; V273-F382 HydrophobicContact CG2-CE2 4.24Å
274S95.1Very high94.1Very high5 Ų515.1 Ų15.14%0.0357%0.068CC..Hα-helixtrans-59.7-43.4176-760000112.7G224 G227 L228 L270 R271 Y272 L277 I278G224-S274 WeakPolarHBondContact CA-O 3.49Å; G224-S274 WeakPolarHBondContact O-CB 3.28Å; G227-S274 VanDerWaalsContact C-OG 3.26Å; G227-S274 WeakPolarHBondContact CA-OG 3.28Å; L228-S274 PolarHBondContact N-OG 2.98Å; L270-S274 PolarHBondContact O-N 3.46Å; L270-S274 PolarHBondContact O-OG 3.45Å; R271-S274 WeakPolarHBondContact O-CB 3.43Å; R271-S274 PolarHBondContact O-N 3.39Å; Y272-S274 VanDerWaalsContact C-N 3.31Å; Y272-S274 PolarHBondContact O-N 2.97Å; S274-L277 PolarHBondContact O-N 3.15Å; S274-I278 WeakPolarHBondContact O-CG1 3.45Å; S274-I278 PolarHBondContact O-N 3.02Å; S274-I278 VanDerWaalsContact O-N 3.17Å
275I93.8Very high94Very high34 Ų3415.8 Ų15.817%0.1747%0.071CC..Hα-helixtrans-65-42.4176.3-60.4-59.3000111L22 M25 T176 L228 R271 Y272 V273 L277 I278 A279L22-I275 HydrophobicContact CD1-CD1 4.08Å; M25-I275 HydrophobicContact CE-CG2 4.12Å; T176-I275 HydrophobicContact CG2-CG2 3.92Å; L228-I275 HydrophobicContact CD1-CD1 4.13Å; L228-I275 HydrophobicContact CD2-CD1 4.17Å; R271-I275 PolarHBondContact O-N 2.84Å; Y272-I275 PolarHBondContact O-N 2.88Å; V273-I275 PolarHBondContact O-N 2.79Å; I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 PolarHBondContact O-N 2.97Å; I275-I278 PolarHBondContact O-N 3.21Å; I275-A279 PolarHBondContact O-N 2.9Å
276W94.8Very high94Very high34 Ų3416 Ų1613%0.1297%0.072CC..Hα-helixtrans-64.3-34.4176.2-69.4-10.2000113.5T176 Y272 V273 A279 E280 N363 F382 N383T176-W276 PolarHBondContact O-NE1 2.77Å; Y272-W276 PolarHBondContact O-N 3.45Å; V273-W276 PolarHBondContact O-N 2.93Å; W276-A279 WeakPolarHBondContact O-CB 3.15Å; W276-A279 PolarHBondContact O-N 3.25Å; W276-E280 VanDerWaalsContact O-CB 3.29Å; W276-E280 WeakPolarHBondContact O-CB 3.27Å; W276-E280 PolarHBondContact O-N 2.75Å; W276-N363 HydrophobicContact CB-CB 4.22Å; W276-N363 HydrophobicContact CD2-CB 4.05Å; W276-N363 HydrophobicContact CE3-CB 3.9Å; W276-N363 HydrophobicContact CG-CB 4.21Å; W276-F382 HydrophobicContact CE3-CE2 4.42Å; W276-F382 AromaticContact CH2-CE1 3.96Å; W276-F382 HydrophobicContact CH2-CE1 3.96Å; W276-F382 AromaticContact CH2-CE2 3.79Å; W276-F382 HydrophobicContact CH2-CE2 3.79Å; W276-F382 AromaticContact CH2-CZ 3.44Å; W276-F382 HydrophobicContact CH2-CZ 3.44Å; W276-F382 VanDerWaalsContact CH2-CZ 3.44Å; W276-F382 AromaticContact CZ3-CD2 3.88Å; W276-F382 HydrophobicContact CZ3-CD2 3.88Å; W276-F382 HydrophobicContact CZ3-CE1 4.22Å; W276-F382 AromaticContact CZ3-CE2 3.43Å; W276-F382 HydrophobicContact CZ3-CE2 3.43Å; W276-F382 VanDerWaalsContact CZ3-CE2 3.43Å; W276-F382 HydrophobicContact CZ3-CG 4.43Å; W276-F382 AromaticContact CZ3-CZ 3.62Å; W276-F382 HydrophobicContact CZ3-CZ 3.62Å; W276-N383 HydrophobicContact CH2-CB 3.66Å; W276-N383 HydrophobicContact CZ3-CB 3.9Å
277L95.9Very high93.9Very high4 Ų415.4 Ų15.42%0.0217%0.073CC..Hα-helixtrans-64.7-41.3173.6-72.2167.1000111.3R220 L223 V273 S274 I275 E280 G281 I364 L366R220-L277 WeakPolarHBondContact CB-O 3.26Å; L223-L277 HydrophobicContact CB-CD1 4.22Å; V273-L277 HydrophobicContact CG1-CD1 4.05Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 VanDerWaalsContact O-CG 3.31Å; V273-L277 WeakPolarHBondContact O-CG 3.29Å; V273-L277 PolarHBondContact O-N 3.38Å; S274-L277 PolarHBondContact O-N 3.15Å; I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 PolarHBondContact O-N 2.97Å; L277-E280 PolarHBondContact O-N 3.34Å; L277-G281 PolarHBondContact O-N 2.88Å; L277-I364 HydrophobicContact CD2-CG2 3.65Å; L277-I364 HydrophobicContact CG-CG2 3.92Å; L277-L366 HydrophobicContact CD1-CD1 3.94Å; L277-L366 HydrophobicContact CD1-CD2 4.28Å; L277-L366 HydrophobicContact CD1-CG 4.38Å; L277-L366 HydrophobicContact CD2-CD1 4.26Å; L277-L366 HydrophobicContact CD2-CG 4.43Å
278I96.6Very high93.9Very high0 Ų015 Ų150%07%0.071CC..Hα-helixtrans-63.6-44175.7-63.5163.4000110.1L22 M25 F26 Y29 S274 I275 G281 S282L22-I278 HydrophobicContact CD1-CD1 4.45Å; M25-I278 HydrophobicContact CB-CG2 4.11Å; F26-I278 HydrophobicContact CD1-CG2 4.01Å; F26-I278 HydrophobicContact CE1-CD1 3.97Å; F26-I278 HydrophobicContact CE1-CG2 4.01Å; Y29-I278 HydrophobicContact CE2-CG2 3.81Å; Y29-I278 WeakPolarHBondContact CE2-O 3.46Å; Y29-I278 PolarHBondContact OH-O 3.34Å; S274-I278 WeakPolarHBondContact O-CG1 3.45Å; S274-I278 PolarHBondContact O-N 3.02Å; S274-I278 VanDerWaalsContact O-N 3.17Å; I275-I278 PolarHBondContact O-N 3.21Å; I278-G281 PolarHBondContact O-N 2.73Å; I278-S282 PolarHBondContact O-N 3.17Å
279A95.9Very high93.8Very high1 Ų114.8 Ų14.81%0.0087%0.069CC..Hα-helixtrans-59.5-46.2174.800000112.2M25 I275 W276 G281 S282 C283M25-A279 HydrophobicContact CE-CB 3.27Å; I275-A279 PolarHBondContact O-N 2.9Å; W276-A279 WeakPolarHBondContact O-CB 3.15Å; W276-A279 PolarHBondContact O-N 3.25Å; A279-G281 VanDerWaalsContact C-N 3.31Å; A279-G281 PolarHBondContact O-N 3.33Å; A279-S282 PolarHBondContact O-N 2.83Å; A279-S282 PolarHBondContact O-OG 3.31Å; A279-C283 PolarHBondContact O-N 3.18Å; A279-C283 PolarHBondContact O-SG 3.35Å; A279-C283 VanDerWaalsContact O-SG 3.34Å
280E95.2Very high93.6Very high2 Ų214.4 Ų14.41%0.0097%0.068CC..Hα-helixtrans-61.5-42.5179.5-173.8-170.5139.200110.6R216 R220 W276 L277 S282 C283 V284 A362R216-E280 IonicContact CZ-OE1 3.68Å; R216-E280 IonicContact NE-OE1 3.52Å; R216-E280 PolarHBondContact NE-OE1 3.34Å; R216-E280 IonicContact NH2-OE1 3.11Å; R216-E280 PolarHBondContact NH2-OE1 3.36Å; R220-E280 WeakPolarHBondContact CD-OE1 3.38Å; R220-E280 HydrophobicContact CG-CG 4.41Å; R220-E280 IonicContact CZ-OE1 3.72Å; R220-E280 IonicContact NE-OE1 3.83Å; R220-E280 PolarHBondContact NE-OE1 2.86Å; R220-E280 IonicContact NE-OE2 2.93Å; R220-E280 IonicContact NH2-OE1 3.67Å; W276-E280 VanDerWaalsContact O-CB 3.29Å; W276-E280 WeakPolarHBondContact O-CB 3.27Å; W276-E280 PolarHBondContact O-N 2.75Å; L277-E280 PolarHBondContact O-N 3.34Å; E280-S282 VanDerWaalsContact C-N 3.35Å; E280-S282 PolarHBondContact O-N 3.08Å; E280-C283 PolarHBondContact O-N 3.48Å; E280-V284 HydrophobicContact CG-CG2 4.23Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.19Å; E280-V284 PolarHBondContact O-N 3.36Å; E280-A362 WeakPolarHBondContact OE2-CA 3.33Å
281G95.8Very high93.2Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-59.3-42.6179.300000113.1Y29 T217 L277 I278 A279 V284 L285Y29-G281 WeakPolarHBondContact OH-CA 3.07Å; T217-G281 WeakPolarHBondContact CG2-O 3.24Å; T217-G281 PolarHBondContact OG1-O 3.46Å; L277-G281 PolarHBondContact O-N 2.88Å; I278-G281 PolarHBondContact O-N 2.73Å; A279-G281 VanDerWaalsContact C-N 3.31Å; A279-G281 PolarHBondContact O-N 3.33Å; G281-V284 PolarHBondContact O-N 3.22Å; G281-L285 WeakPolarHBondContact O-CB 3.45Å; G281-L285 PolarHBondContact O-N 3.21Å
282S96.8Very high92.6Very high2 Ų210.8 Ų10.81%0.0146%0.058CC..Hα-helixtrans-72-37.717766.70000112.1Y29 T172 I278 A279 E280 V284 L285 I286Y29-S282 PolarHBondContact OH-N 3.45Å; T172-S282 WeakPolarHBondContact CB-OG 3.39Å; I278-S282 PolarHBondContact O-N 3.17Å; A279-S282 PolarHBondContact O-N 2.83Å; A279-S282 PolarHBondContact O-OG 3.31Å; E280-S282 VanDerWaalsContact C-N 3.35Å; E280-S282 PolarHBondContact O-N 3.08Å; S282-V284 VanDerWaalsContact C-N 3.33Å; S282-V284 PolarHBondContact O-N 2.9Å; S282-L285 PolarHBondContact O-N 3.34Å; S282-I286 PolarHBondContact O-N 2.85Å
283C96.2Very high92.3Very high0 Ų010.1 Ų10.10%06%0.059CC..Hα-helixtrans-61.9-38.1171.4-72.90000112.9T172 A279 E280 I286 G287 L288 G289 C361T172-C283 PolarHBondContact O-SG 3.27Å; T172-C283 PolarHBondContact OG1-SG 3.03Å; A279-C283 PolarHBondContact O-N 3.18Å; A279-C283 PolarHBondContact O-SG 3.35Å; A279-C283 VanDerWaalsContact O-SG 3.34Å; E280-C283 PolarHBondContact O-N 3.48Å; C283-I286 WeakPolarHBondContact O-CG2 3.44Å; C283-G287 PolarHBondContact O-N 3.28Å; C283-L288 HydrophobicContact CB-CB 4.44Å; C283-L288 WeakPolarHBondContact O-CB 3.45Å; C283-L288 PolarHBondContact O-N 3.03Å; C283-G289 PolarHBondContact O-N 3.28Å; C283-C361 HydrophobicContact CB-CB 3.67Å
284V93.6Very high91.6Very high0 Ų010.1 Ų10.10%06%0.058CC..Hα-helixtrans-68.8-42.4174.4173.60000110.1K213 R216 T217 E280 G281 S282 I286 G287 H358K213-V284 WeakPolarHBondContact CD-O 3.34Å; K213-V284 HydrophobicContact CG-CG1 3.92Å; K213-V284 VanDerWaalsContact CG-O 3.22Å; K213-V284 WeakPolarHBondContact CG-O 3.41Å; K213-V284 WeakPolarHBondContact O-CG1 3.22Å; R216-V284 HydrophobicContact CB-CG1 4.11Å; R216-V284 HydrophobicContact CG-CG1 4.28Å; R216-V284 HydrophobicContact CG-CG2 4.33Å; T217-V284 WeakPolarHBondContact OG1-CG1 3.43Å; E280-V284 HydrophobicContact CG-CG2 4.23Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.19Å; E280-V284 PolarHBondContact O-N 3.36Å; G281-V284 PolarHBondContact O-N 3.22Å; S282-V284 VanDerWaalsContact C-N 3.33Å; S282-V284 PolarHBondContact O-N 2.9Å; V284-I286 VanDerWaalsContact C-N 3.35Å; V284-I286 PolarHBondContact O-N 3.24Å; V284-G287 PolarHBondContact O-N 3.34Å; V284-H358 HydrophobicContact CG1-CB 3.95Å; V284-H358 HydrophobicContact CG2-CB 4.21Å
285L93.3Very high90.8Very high15 Ų1511.7 Ų11.78%0.0797%0.065CC..Hα-helixtrans-60.2-45.4-178.5-177.254000111.7Y29 A32 F33 K213 T217 G281 S282 G287Y29-L285 HydrophobicContact CD1-CD2 4Å; A32-L285 HydrophobicContact CB-CB 3.95Å; A32-L285 HydrophobicContact CB-CD2 3.93Å; A32-L285 HydrophobicContact CB-CG 3.82Å; F33-L285 HydrophobicContact CB-CD2 4.48Å; K213-L285 PolarHBondContact NZ-O 3.31Å; T217-L285 HydrophobicContact CG2-CB 3.79Å; T217-L285 HydrophobicContact CG2-CD1 4.24Å; T217-L285 HydrophobicContact CG2-CD2 4.19Å; T217-L285 HydrophobicContact CG2-CG 4.29Å; T217-L285 WeakPolarHBondContact OG1-CA 3.27Å; T217-L285 PolarHBondContact OG1-N 2.9Å; G281-L285 WeakPolarHBondContact O-CB 3.45Å; G281-L285 PolarHBondContact O-N 3.21Å; S282-L285 PolarHBondContact O-N 3.34Å; L285-G287 PolarHBondContact O-N 2.97Å
286I94.1Very high90Very high3 Ų310.8 Ų10.82%0.0156%0.061CC..Hα-helixtrans-70.2-22.1-178.9-157.2167.4000112.6A32 Y35 L51 T172 F188 S282 C283 V284 L288A32-I286 HydrophobicContact CB-CB 3.63Å; A32-I286 HydrophobicContact CB-CD1 4.44Å; A32-I286 HydrophobicContact CB-CG1 4.16Å; Y35-I286 HydrophobicContact CD1-CD1 4.23Å; Y35-I286 HydrophobicContact CD1-CG1 3.61Å; Y35-I286 HydrophobicContact CE1-CG1 4.31Å; Y35-I286 HydrophobicContact CG-CD1 4.07Å; Y35-I286 HydrophobicContact CG-CG1 3.89Å; L51-I286 HydrophobicContact CD2-CD1 3.56Å; T172-I286 HydrophobicContact CG2-CB 4.47Å; T172-I286 HydrophobicContact CG2-CD1 4.3Å; T172-I286 HydrophobicContact CG2-CG2 4.29Å; F188-I286 HydrophobicContact CE2-CG1 4.35Å; F188-I286 VanDerWaalsContact CE2-O 3.29Å; F188-I286 WeakPolarHBondContact CE2-O 3.34Å; F188-I286 HydrophobicContact CZ-CD1 4.32Å; F188-I286 HydrophobicContact CZ-CG1 4Å; F188-I286 HydrophobicContact CZ-CG2 4.48Å; S282-I286 PolarHBondContact O-N 2.85Å; C283-I286 WeakPolarHBondContact O-CG2 3.44Å; V284-I286 VanDerWaalsContact C-N 3.35Å; V284-I286 PolarHBondContact O-N 3.24Å; I286-L288 HydrophobicContact CG2-CB 4.06Å; I286-L288 HydrophobicContact CG2-CD1 3.82Å; I286-L288 HydrophobicContact CG2-CG 3.99Å
287G91.4Very high89.2Confident12 Ų1216.1 Ų16.112%0.1248%0.084CC..THydrogen-bonded Turntrans112.1-7.8178.900000114.8C283 V284 L285 G289 C290C283-G287 PolarHBondContact O-N 3.28Å; V284-G287 PolarHBondContact O-N 3.34Å; L285-G287 PolarHBondContact O-N 2.97Å; G287-G289 VanDerWaalsContact C-N 3.25Å; G287-G289 PolarHBondContact O-N 3.41Å; G287-C290 WeakPolarHBondContact O-CB 3.48Å; G287-C290 PolarHBondContact O-N 2.82Å; G287-C290 PolarHBondContact O-SG 3.33Å
288L93.1Very high88.2Confident0 Ų017.4 Ų17.40%09%0.094CC..THydrogen-bonded Turntrans-65.6-26.7176.7-80.6164.2000113.2T170 F180 H184 F185 F188 C283 I286 C290 C361T170-L288 HydrophobicContact CG2-CD1 3.46Å; T170-L288 VanDerWaalsContact CG2-CD1 3.46Å; F180-L288 HydrophobicContact CE2-CD2 4.31Å; F180-L288 HydrophobicContact CZ-CD1 4.28Å; F180-L288 HydrophobicContact CZ-CD2 4.24Å; H184-L288 PolarHBondContact NE2-O 2.98Å; F185-L288 HydrophobicContact CD2-CD2 4.38Å; F188-L288 HydrophobicContact CB-CD2 3.62Å; F188-L288 HydrophobicContact CB-CG 4.35Å; F188-L288 HydrophobicContact CD1-CD1 4.42Å; F188-L288 HydrophobicContact CD1-CD2 3.44Å; F188-L288 VanDerWaalsContact CD1-CD2 3.44Å; F188-L288 HydrophobicContact CD1-CG 3.77Å; F188-L288 HydrophobicContact CD2-CD2 4.2Å; F188-L288 HydrophobicContact CD2-CG 4.01Å; F188-L288 HydrophobicContact CE1-CD1 4.3Å; F188-L288 HydrophobicContact CE1-CD2 4.13Å; F188-L288 HydrophobicContact CE1-CG 4Å; F188-L288 HydrophobicContact CE2-CG 4.26Å; F188-L288 HydrophobicContact CG-CD2 3.47Å; F188-L288 VanDerWaalsContact CG-CD2 3.47Å; F188-L288 HydrophobicContact CG-CG 3.75Å; F188-L288 HydrophobicContact CZ-CG 4.25Å; C283-L288 HydrophobicContact CB-CB 4.44Å; C283-L288 WeakPolarHBondContact O-CB 3.45Å; C283-L288 PolarHBondContact O-N 3.03Å; I286-L288 HydrophobicContact CG2-CB 4.06Å; I286-L288 HydrophobicContact CG2-CD1 3.82Å; I286-L288 HydrophobicContact CG2-CG 3.99Å; L288-C290 PolarHBondContact O-N 3.37Å; L288-C361 VanDerWaalsContact C-SG 3.53Å; L288-C361 PolarHBondContact O-SG 3.42Å
289G89.2Confident86.9Confident0 Ų024.7 Ų24.70%013%0.126CC..THydrogen-bonded Turntrans-70.5-15.3177.800000114.8C283 G287 H358 T359 A360C283-G289 PolarHBondContact O-N 3.28Å; G287-G289 VanDerWaalsContact C-N 3.25Å; G287-G289 PolarHBondContact O-N 3.41Å; G289-H358 CarbonylContact O-C 3.5Å; G289-H358 WeakPolarHBondContact O-CA 3.27Å; G289-H358 WeakPolarHBondContact O-CB 3.37Å; G289-T359 PolarHBondContact O-N 2.83Å; G289-A360 WeakPolarHBondContact O-CB 3.2Å; G289-A360 PolarHBondContact O-N 2.88Å; G289-A360 VanDerWaalsContact O-N 3.15Å
290C87.7Confident85.5Confident5 Ų526.9 Ų26.93%0.03415%0.148CC..  trans-62.1143.7178.2-63.20000111.3H184 L193 G287 L288 H358 A360H184-C290 PolarHBondContact CE1-O 2.84Å; L193-C290 HydrophobicContact CB-CB 3.83Å; L193-C290 WeakPolarHBondContact O-CB 3.4Å; G287-C290 WeakPolarHBondContact O-CB 3.48Å; G287-C290 PolarHBondContact O-N 2.82Å; G287-C290 PolarHBondContact O-SG 3.33Å; L288-C290 PolarHBondContact O-N 3.37Å; C290-H358 PolarHBondContact SG-CD2 3.16Å; C290-A360 VanDerWaalsContact O-CB 3.3Å; C290-A360 WeakPolarHBondContact O-CB 3.39Å
291T83.3Confident84Confident36 Ų3632.8 Ų32.822%0.22119%0.19CC..  trans-104.3-12.2-175.755.10000114L293 P357 A360T291-L293 PolarHBondContact O-N 2.68Å; T291-L293 PolarHBondContact OG1-N 2.96Å; T291-P357 WeakPolarHBondContact CG2-O 3.21Å; T291-A360 HydrophobicContact CG2-CB 4.06Å
292G79.2Confident82.6Confident10 Ų1035.1 Ų35.110%0.10320%0.202CC..SBendtrans70.81.5-167.600000114.4L193 W332L193-G292 VanDerWaalsContact O-CA 3.23Å; L193-G292 WeakPolarHBondContact O-CA 3.34Å; L193-G292 PolarHBondContact O-N 3.4Å; G292-W332 WeakPolarHBondContact O-CB 3.47Å; G292-W332 PolarHBondContact O-N 3.06Å
293L82.8Confident81.3Confident48 Ų4843.3 Ų43.325%0.25124%0.24SC..EExtended strand (participates in β ladder)trans-98.2150.6-176.6-50.9178.6000111.6T291 A329 V330 D331 A356T291-L293 PolarHBondContact O-N 2.68Å; T291-L293 PolarHBondContact OG1-N 2.96Å; L293-A329 HydrophobicContact CB-CB 3.74Å; L293-A329 HydrophobicContact CD1-CB 4.2Å; L293-V330 CarbonylContact C-O 3.41Å; L293-V330 VanDerWaalsContact CA-O 3.27Å; L293-V330 WeakPolarHBondContact CA-O 3.23Å; L293-D331 HydrophobicContact CD2-CB 3.98Å; L293-A356 HydrophobicContact CB-CB 3.74Å; L293-A356 WeakPolarHBondContact O-CB 3.44Å; L293-A356 PolarHBondContact O-N 3.3Å
294V79Confident80.1Confident1 Ų143.7 Ų43.71%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-132.8150.3176.7-64.70000112.1P195 I296 A329 V330 W332 V353 R354P195-V294 HydrophobicContact CB-CG1 4.19Å; P195-V294 HydrophobicContact CG-CG1 3.6Å; V294-I296 HydrophobicContact CG2-CD1 3.92Å; V294-I296 HydrophobicContact CG2-CG1 3.92Å; V294-A329 CarbonylContact O-C 3.6Å; V294-A329 WeakPolarHBondContact O-CA 3.28Å; V294-V330 PolarHBondContact N-O 3.4Å; V294-V330 PolarHBondContact O-N 3.04Å; V294-W332 HydrophobicContact CG1-CB 4.26Å; V294-W332 HydrophobicContact CG1-CE3 4.19Å; V294-W332 HydrophobicContact CG2-CB 4.42Å; V294-W332 HydrophobicContact CG2-CE3 3.78Å; V294-V353 HydrophobicContact CB-CG1 3.76Å; V294-V353 HydrophobicContact CG1-CG1 3.83Å; V294-V353 HydrophobicContact CG2-CG1 4.06Å; V294-R354 CarbonylContact C-O 3.48Å; V294-R354 VanDerWaalsContact CA-O 3.28Å; V294-R354 WeakPolarHBondContact CA-O 3.34Å; V294-R354 WeakPolarHBondContact CB-O 2.97Å
295H78.9Confident79Confident38 Ų3845.1 Ų45.118%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-95.6129.6163.6-65.7-75.5000109.7D327 S328 A329 V353 R354H295-D327 IonicContact CE1-OD1 3.11Å; H295-D327 PolarHBondContact CE1-OD1 2.94Å; H295-D327 IonicContact CE1-OD2 2.79Å; H295-D327 IonicContact NE2-OD1 3.58Å; H295-D327 IonicContact NE2-OD2 3.86Å; H295-S328 PolarHBondContact ND1-OG 3.12Å; H295-A329 PolarHBondContact CE1-N 3.33Å; H295-V353 WeakPolarHBondContact O-CA 3.29Å; H295-R354 PolarHBondContact N-O 3.2Å; H295-R354 PolarHBondContact O-N 3.47Å
296I77.3Confident77.9Confident16 Ų1649.4 Ų49.48%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-115.4120.7-179.8-59.8165.8000107.7V294 L304 I308 A335 I339 V351 V353V294-I296 HydrophobicContact CG2-CD1 3.92Å; V294-I296 HydrophobicContact CG2-CG1 3.92Å; I296-L304 HydrophobicContact CG2-CD1 3.75Å; I296-L304 HydrophobicContact CG2-CD2 3.99Å; I296-I308 HydrophobicContact CB-CG2 3.91Å; I296-I308 HydrophobicContact CD1-CG2 3.53Å; I296-I308 HydrophobicContact CG1-CG2 4.29Å; I296-I308 HydrophobicContact CG2-CG2 4.09Å; I296-A335 HydrophobicContact CD1-CB 3.62Å; I296-I339 HydrophobicContact CD1-CD1 3.98Å; I296-V351 HydrophobicContact CG2-CG1 3.51Å; I296-V353 HydrophobicContact CG1-CG1 4.5Å; I296-V353 HydrophobicContact CG1-CG2 4.41Å
297K78.2Confident76.8Confident145 Ų14555 Ų5563%0.6330%0.299SS*.EExtended strand (participates in β ladder)trans-122.7126.6176-70-168.7175.6-168.10109.8I352K297-I352 PolarHBondContact N-O 3.41Å; K297-I352 PolarHBondContact O-N 2.85Å
298S75.4Confident75.6Confident32 Ų3254.6 Ų54.622%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-81129.7168-176.90000109G300 I302 Q350S298-G300 PolarHBondContact OG-O 3.24Å; S298-I302 VanDerWaalsContact CB-O 3.3Å; S298-I302 WeakPolarHBondContact CB-O 3.45Å; S298-I302 PolarHBondContact OG-O 2.97Å; S298-Q350 WeakPolarHBondContact CA-O 3.45Å
299K68.9Low74.1Confident152 Ų15258.6 Ų58.666%0.66131%0.311SS*.  trans-87.4-26170.6-80-166.1-179-175.70112.5Q350 I352K299-Q350 PolarHBondContact N-O 3.43Å; K299-I352 HydrophobicContact CD-CD1 4.03Å; K299-I352 HydrophobicContact CD-CG1 4.36Å; K299-I352 HydrophobicContact CG-CD1 3.87Å; K299-I352 HydrophobicContact CG-CG1 4.15Å
300G65.3Low72.4Confident47 Ų4760.8 Ų60.849%0.48532%0.323SS..SBendtrans-101.7-164.5-17300000113.5S298 I302S298-G300 PolarHBondContact OG-O 3.24Å; G300-I302 PolarHBondContact O-N 2.83Å
301S63.8Low70.5Confident126 Ų12666.6 Ų66.688%0.88135%0.347SS*.SBendtrans-67.6-11.7178.4-35.30000113.7Q303S301-Q303 PolarHBondContact O-N 2.88Å
302I67.9Low68.8Low49 Ų4968.7 Ų68.725%0.25136%0.357SS..  trans-70.9119.1-174-59.4-176.7000110.4S298 G300 L304 E344 L345S298-I302 VanDerWaalsContact CB-O 3.3Å; S298-I302 WeakPolarHBondContact CB-O 3.45Å; S298-I302 PolarHBondContact OG-O 2.97Å; G300-I302 PolarHBondContact O-N 2.83Å; I302-L304 PolarHBondContact O-N 2.92Å; I302-E344 HydrophobicContact CD1-CB 4.1Å; I302-E344 HydrophobicContact CD1-CG 3.93Å; I302-L345 HydrophobicContact CG2-CD2 3.58Å
303Q69Low67.2Low175 Ų17570.5 Ų70.582%0.81837%0.368SS*.  trans-81109.5174.3-67.1-174-100109.8S301S301-Q303 PolarHBondContact O-N 2.88Å
304L71.4Confident65.2Low8 Ų874.9 Ų74.94%0.04239%0.392CS..  trans-67.3138.8168.2-67.8158.9000109.9I296 I302 I308 K309 L345I296-L304 HydrophobicContact CG2-CD1 3.75Å; I296-L304 HydrophobicContact CG2-CD2 3.99Å; I302-L304 PolarHBondContact O-N 2.92Å; L304-I308 HydrophobicContact CD2-CG2 4.37Å; L304-K309 HydrophobicContact CB-CD 4.12Å; L304-K309 HydrophobicContact CB-CG 4.15Å; L304-L345 HydrophobicContact CD2-CD1 4.37Å; L304-L345 HydrophobicContact CD2-CD2 3.84Å
305P70.7Confident63.3Low29 Ų2979.9 Ų79.919%0.18842%0.423CS..  trans-55149.3173.8-22.830000112.8F307 I308 K309 Y338P305-F307 HydrophobicContact CB-CD1 3.46Å; P305-F307 VanDerWaalsContact CB-CD1 3.46Å; P305-F307 HydrophobicContact CB-CE1 3.27Å; P305-F307 HydrophobicContact CB-CG 4.4Å; P305-F307 HydrophobicContact CB-CZ 4.09Å; P305-F307 HydrophobicContact CG-CD1 4.36Å; P305-F307 HydrophobicContact CG-CE1 3.68Å; P305-F307 HydrophobicContact CG-CZ 4.17Å; P305-F307 PolarHBondContact O-N 3.01Å; P305-I308 HydrophobicContact CG-CD1 4.4Å; P305-I308 PolarHBondContact O-N 3.26Å; P305-K309 PolarHBondContact O-N 2.98Å; P305-Y338 HydrophobicContact CG-CE1 3.64Å; P305-Y338 HydrophobicContact CG-CE2 4.14Å; P305-Y338 WeakPolarHBondContact CG-OH 3.48Å
306D69.2Low61.5Low106 Ų10680.5 Ų80.557%0.56743%0.427SS*.THydrogen-bonded Turntrans-60.7-29.1-180-78-36.9000112.7I308 K309 K311D306-I308 PolarHBondContact O-N 3.48Å; D306-K309 CarbonylContact O-C 3.51Å; D306-K309 PolarHBondContact O-N 3.39Å; D306-K309 VanDerWaalsContact O-N 3.11Å; D306-K311 IonicContact OD1-NZ 3.27Å; D306-K311 PolarHBondContact OD1-NZ 3.34Å
307F70.4Confident60Low121 Ų12182.9 Ų82.953%0.53144%0.442SS..THydrogen-bonded Turntrans-69.1-20176.374.9-94.4000113.4P305 Y338P305-F307 HydrophobicContact CB-CD1 3.46Å; P305-F307 VanDerWaalsContact CB-CD1 3.46Å; P305-F307 HydrophobicContact CB-CE1 3.27Å; P305-F307 HydrophobicContact CB-CG 4.4Å; P305-F307 HydrophobicContact CB-CZ 4.09Å; P305-F307 HydrophobicContact CG-CD1 4.36Å; P305-F307 HydrophobicContact CG-CE1 3.68Å; P305-F307 HydrophobicContact CG-CZ 4.17Å; P305-F307 PolarHBondContact O-N 3.01Å; F307-Y338 HydrophobicContact CE1-CD2 4.28Å; F307-Y338 HydrophobicContact CE1-CE2 4.11Å; F307-Y338 HydrophobicContact CE2-CD2 4.47Å; F307-Y338 HydrophobicContact CE2-CG 4.4Å; F307-Y338 HydrophobicContact CZ-CD1 4.29Å; F307-Y338 AromaticContact CZ-CD2 3.51Å; F307-Y338 HydrophobicContact CZ-CD2 3.51Å; F307-Y338 AromaticContact CZ-CE2 3.78Å; F307-Y338 HydrophobicContact CZ-CE2 3.78Å; F307-Y338 AromaticContact CZ-CG 3.76Å; F307-Y338 HydrophobicContact CZ-CG 3.76Å
308I67.7Low58.5Low3 Ų380.1 Ų80.12%0.01543%0.428CS..THydrogen-bonded Turntrans-89.2-23.1173-58.6-172.3000111I296 L304 P305 D306 V330 Y338I296-I308 HydrophobicContact CB-CG2 3.91Å; I296-I308 HydrophobicContact CD1-CG2 3.53Å; I296-I308 HydrophobicContact CG1-CG2 4.29Å; I296-I308 HydrophobicContact CG2-CG2 4.09Å; L304-I308 HydrophobicContact CD2-CG2 4.37Å; P305-I308 HydrophobicContact CG-CD1 4.4Å; P305-I308 PolarHBondContact O-N 3.26Å; D306-I308 PolarHBondContact O-N 3.48Å; I308-V330 VanDerWaalsContact O-CG2 3.23Å; I308-V330 WeakPolarHBondContact O-CG2 3.13Å; I308-Y338 HydrophobicContact CD1-CD1 3.35Å; I308-Y338 HydrophobicContact CD1-CE1 3.85Å; I308-Y338 HydrophobicContact CD1-CG 3.96Å
309K60.8Low57.1Low83 Ų8381 Ų8136%0.36143%0.43SS..SBendtrans-107.292.7176-77177.4169.6166.80110.2L304 P305 D306 K311L304-K309 HydrophobicContact CB-CD 4.12Å; L304-K309 HydrophobicContact CB-CG 4.15Å; P305-K309 PolarHBondContact O-N 2.98Å; D306-K309 CarbonylContact O-C 3.51Å; D306-K309 PolarHBondContact O-N 3.39Å; D306-K309 VanDerWaalsContact O-N 3.11Å; K309-K311 PolarHBondContact O-N 3.15Å
310N53.6Low56.1Low46 Ų4674.7 Ų74.725%0.24641%0.408CS..  trans-74.196172.8-167.72.9000110.5D312 S328N310-D312 PolarHBondContact O-N 3.37Å; N310-D312 VanDerWaalsContact OD1-CB 3.31Å; N310-D312 WeakPolarHBondContact OD1-CB 3.48Å; N310-D312 PolarHBondContact OD1-N 3.25Å; N310-D312 PolarHBondContact OD1-OD2 2.84Å; N310-S328 WeakPolarHBondContact O-CB 3.36Å
311K48.6Very low55.3Low127 Ų12775.4 Ų75.455%0.55240%0.404SS*.G310 helixtrans-72.5-9.4177.7-74.9173.8178.5150.50113.5D306 K309 S313 D314D306-K311 IonicContact OD1-NZ 3.27Å; D306-K311 PolarHBondContact OD1-NZ 3.34Å; K309-K311 PolarHBondContact O-N 3.15Å; K311-S313 PolarHBondContact O-N 3.22Å; K311-D314 PolarHBondContact O-N 2.56Å; K311-D314 VanDerWaalsContact O-N 3.15Å
312D47.2Very low54.5Low80 Ų8069.9 Ų69.943%0.42837%0.365SS..G310 helixtrans-59.8-16.1-175.8-75.2-13.7000113.7N310 D314 L316N310-D312 PolarHBondContact O-N 3.37Å; N310-D312 VanDerWaalsContact OD1-CB 3.31Å; N310-D312 WeakPolarHBondContact OD1-CB 3.48Å; N310-D312 PolarHBondContact OD1-N 3.25Å; N310-D312 PolarHBondContact OD1-OD2 2.84Å; D312-D314 VanDerWaalsContact C-N 3.34Å; D312-L316 WeakPolarHBondContact O-CD1 3.45Å
313S46.4Very low53.5Low49 Ų4974.1 Ų74.134%0.34339%0.388SS..G310 helixtrans-68.1-31177.162.30000113.8K311K311-S313 PolarHBondContact O-N 3.22Å
314D40Very low52.4Low140 Ų14072 Ų7275%0.74938%0.376SS*.SBendtrans-86.6-17.8-165.1-68.4-4.4000113.2K311 D312K311-D314 PolarHBondContact O-N 2.56Å; K311-D314 VanDerWaalsContact O-N 3.15Å; D312-D314 VanDerWaalsContact C-N 3.34Å
315T38.3Very low51.3Low106 Ų10676.4 Ų76.465%0.6539%0.392SS*.SBendtrans-100.5-3.9-174.451.90000114.4T317T315-T317 PolarHBondContact O-N 3.31Å
316L42Very low50.5Low50 Ų5082.7 Ų82.726%0.26241%0.412SS..  trans-80.894.8-175.9-81.1156.1000112.7D312 K324 R325D312-L316 WeakPolarHBondContact O-CD1 3.45Å; L316-K324 VanDerWaalsContact CD1-C 3.45Å; L316-K324 HydrophobicContact CD1-CB 4.37Å; L316-K324 WeakPolarHBondContact CD1-O 3.43Å; L316-K324 HydrophobicContact CD2-CB 3.8Å; L316-R325 HydrophobicContact CB-CG 3.74Å; L316-R325 VanDerWaalsContact CD1-CA 3.4Å; L316-R325 HydrophobicContact CD1-CB 4.2Å; L316-R325 HydrophobicContact CD1-CG 3.83Å; L316-R325 HydrophobicContact CG-CG 4.31Å
317T46.2Very low50Low66 Ų6681.7 Ų81.741%0.40541%0.406SS..  trans-62.7153.4170.248.50000112.3T315 D319 G320T315-T317 PolarHBondContact O-N 3.31Å; T317-D319 WeakPolarHBondContact CB-OD1 3.33Å; T317-D319 PolarHBondContact O-N 3.35Å; T317-D319 PolarHBondContact OG1-OD1 2.92Å; T317-G320 PolarHBondContact O-N 3.06Å; T317-G320 VanDerWaalsContact O-N 3.15Å
318R45.8Very low49.8Very low88 Ų8878 Ų7833%0.33240%0.396SS..THydrogen-bonded Turntrans-58.5-17.2-175.8-166.9176.475.91414.1114.1F455 S465 S466R318-F455 PolarHBondContact NH2-O 3Å; R318-S465 PolarHBondContact NH1-OG 3.48Å; R318-S465 VanDerWaalsContact NH1-OG 3.11Å; R318-S465 PolarHBondContact NH2-OG 2.91Å; R318-S466 PolarHBondContact NH1-OG 3.38Å
319D46.5Very low50.2Low50 Ų5078.5 Ų78.527%0.26740%0.4SS..THydrogen-bonded Turntrans-86.4-2.5-178.468.6-55.9000114.2T317 K447 Y456T317-D319 WeakPolarHBondContact CB-OD1 3.33Å; T317-D319 PolarHBondContact O-N 3.35Å; T317-D319 PolarHBondContact OG1-OD1 2.92Å; D319-K447 HydrophobicContact CB-CD 4.38Å; D319-K447 PolarHBondContact O-NZ 2.64Å; D319-K447 VanDerWaalsContact OD2-CE 3.3Å; D319-K447 WeakPolarHBondContact OD2-CE 3.32Å; D319-K447 IonicContact OD2-NZ 2.65Å; D319-K447 PolarHBondContact OD2-NZ 2.96Å; D319-Y456 HydrophobicContact CB-CD1 4.38Å
320G47.8Very low50.9Low19 Ų1975.6 Ų75.620%0.19639%0.39CS..SBendtrans-91.8152.3172.800000112.7T317 V322T317-G320 PolarHBondContact O-N 3.06Å; T317-G320 VanDerWaalsContact O-N 3.15Å; G320-V322 PolarHBondContact O-N 3.16Å
321P48.8Very low52Low63 Ų6376.1 Ų76.141%0.40939%0.392SS..  trans-54.4132173.8-21.830.3000110.6L323 K324P321-L323 PolarHBondContact O-N 3.17Å; P321-L323 VanDerWaalsContact O-N 3.12Å; P321-K324 HydrophobicContact CB-CG 4.32Å; P321-K324 HydrophobicContact CG-CD 4.39Å; P321-K324 HydrophobicContact CG-CG 4.47Å; P321-K324 WeakPolarHBondContact O-CB 3.44Å; P321-K324 PolarHBondContact O-N 2.89Å
322V46.5Very low53.3Low10 Ų1071.3 Ų71.36%0.06137%0.371CS..G310 helixtrans-54.9-36.5-176.3-179.20000111.8G320 K324 R325 D377 A380G320-V322 PolarHBondContact O-N 3.16Å; V322-K324 PolarHBondContact O-N 2.75Å; V322-K324 VanDerWaalsContact O-N 3.15Å; V322-R325 WeakPolarHBondContact O-CB 3.32Å; V322-R325 PolarHBondContact O-N 2.77Å; V322-D377 WeakPolarHBondContact CG2-OD1 3.36Å; V322-A380 HydrophobicContact CG1-CB 4.24Å
323L46.7Very low54.6Low138 Ų13870.6 Ų70.672%0.72337%0.372SS*.G310 helixtrans-63-14.6177.5-65173.2000114.1P321 A380P321-L323 PolarHBondContact O-N 3.17Å; P321-L323 VanDerWaalsContact O-N 3.12Å; L323-A380 HydrophobicContact CD2-CB 4.05Å
324K46.9Very low55.9Low129 Ų12975.2 Ų75.256%0.56139%0.386SS*.G310 helixtrans-78.8-19.5173.5-67.1-167.3-180-176.90112.9L316 P321 V322 R326L316-K324 VanDerWaalsContact CD1-C 3.45Å; L316-K324 HydrophobicContact CD1-CB 4.37Å; L316-K324 WeakPolarHBondContact CD1-O 3.43Å; L316-K324 HydrophobicContact CD2-CB 3.8Å; P321-K324 HydrophobicContact CB-CG 4.32Å; P321-K324 HydrophobicContact CG-CD 4.39Å; P321-K324 HydrophobicContact CG-CG 4.47Å; P321-K324 WeakPolarHBondContact O-CB 3.44Å; P321-K324 PolarHBondContact O-N 2.89Å; V322-K324 PolarHBondContact O-N 2.75Å; V322-K324 VanDerWaalsContact O-N 3.15Å; K324-R326 PolarHBondContact O-N 3.23Å
325R47.2Very low57.5Low101 Ų10168.6 Ų68.638%0.38135%0.351SS..  trans-67.896.5177-69.2-174.6-117.1173.22109.9L316 V322L316-R325 HydrophobicContact CB-CG 3.74Å; L316-R325 VanDerWaalsContact CD1-CA 3.4Å; L316-R325 HydrophobicContact CD1-CB 4.2Å; L316-R325 HydrophobicContact CD1-CG 3.83Å; L316-R325 HydrophobicContact CG-CG 4.31Å; V322-R325 WeakPolarHBondContact O-CB 3.32Å; V322-R325 PolarHBondContact O-N 2.77Å
326R53.2Low59.2Low162 Ų16264.8 Ų64.861%0.61133%0.327SS*.  trans-87.2141.4178.7-72.9-178.9175.9169.2-1.9110.7K324K324-R326 PolarHBondContact O-N 3.23Å
327D59.6Low60.8Low84 Ų8467.9 Ų67.945%0.44934%0.343SS..  trans-68.2143.9167.6-1611.1000109.1H295 A329H295-D327 IonicContact CE1-OD1 3.11Å; H295-D327 PolarHBondContact CE1-OD1 2.94Å; H295-D327 IonicContact CE1-OD2 2.79Å; H295-D327 IonicContact NE2-OD1 3.58Å; H295-D327 IonicContact NE2-OD2 3.86Å; D327-A329 PolarHBondContact O-N 3.1Å; D327-A329 VanDerWaalsContact O-N 3.16Å
328S66.5Low62.1Low44 Ų4467.6 Ų67.631%0.30834%0.335SS..SBendtrans-74.90.7-179.857.70000113.2H295 N310H295-S328 PolarHBondContact ND1-OG 3.12Å; N310-S328 WeakPolarHBondContact O-CB 3.36Å
329A74.9Confident63.4Low14 Ų1463.6 Ų63.612%0.11632%0.32CS..  trans-67.8139.7-178.100000111.9L293 V294 H295 D327 A356L293-A329 HydrophobicContact CB-CB 3.74Å; L293-A329 HydrophobicContact CD1-CB 4.2Å; V294-A329 CarbonylContact O-C 3.6Å; V294-A329 WeakPolarHBondContact O-CA 3.28Å; H295-A329 PolarHBondContact CE1-N 3.33Å; D327-A329 PolarHBondContact O-N 3.1Å; D327-A329 VanDerWaalsContact O-N 3.16Å; A329-A356 HydrophobicContact CB-CB 3.83Å
330V76.2Confident64.6Low22 Ų2267.3 Ų67.313%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-114.2149.4-179.4-177.80000109.6L293 V294 I308 W332L293-V330 CarbonylContact C-O 3.41Å; L293-V330 VanDerWaalsContact CA-O 3.27Å; L293-V330 WeakPolarHBondContact CA-O 3.23Å; V294-V330 PolarHBondContact N-O 3.4Å; V294-V330 PolarHBondContact O-N 3.04Å; I308-V330 VanDerWaalsContact O-CG2 3.23Å; I308-V330 WeakPolarHBondContact O-CG2 3.13Å; V330-W332 PolarHBondContact O-N 2.8Å
331D77Confident65.8Low56 Ų5670.4 Ų70.430%0.29935%0.352SS..EExtended strand (participates in β ladder)trans-65.4124.2176.7-171.3-40.7000110.4L293 S333 F334 A335L293-D331 HydrophobicContact CD2-CB 3.98Å; D331-S333 VanDerWaalsContact C-N 3.25Å; D331-S333 PolarHBondContact O-N 2.68Å; D331-S333 WeakPolarHBondContact OD1-CB 3.44Å; D331-S333 PolarHBondContact OD1-N 3.21Å; D331-S333 PolarHBondContact OD1-OG 3.41Å; D331-F334 HydrophobicContact CB-CD2 3.78Å; D331-F334 HydrophobicContact CB-CE2 4.48Å; D331-F334 PolarHBondContact O-N 3.37Å; D331-A335 PolarHBondContact O-N 3.1Å; D331-A335 VanDerWaalsContact O-N 3.1Å
332W75.5Confident66.9Low27 Ų2769.9 Ų69.910%0.10235%0.345CS..Hα-helixtrans-60.9-34.8-176.3174.9-111.2000112.4P195 V197 G292 V294 V330 F334 A335 D336 I339 V353P195-W332 HydrophobicContact CB-CB 4.15Å; P195-W332 HydrophobicContact CB-CD2 3.87Å; P195-W332 HydrophobicContact CB-CG 3.56Å; P195-W332 HydrophobicContact CG-CB 3.75Å; P195-W332 HydrophobicContact CG-CD2 4.41Å; P195-W332 HydrophobicContact CG-CG 3.76Å; V197-W332 HydrophobicContact CB-CH2 3.88Å; V197-W332 HydrophobicContact CB-CZ2 3.76Å; V197-W332 HydrophobicContact CG1-CD2 4.49Å; V197-W332 HydrophobicContact CG1-CE3 4.42Å; V197-W332 HydrophobicContact CG1-CH2 3.59Å; V197-W332 HydrophobicContact CG1-CZ2 3.66Å; V197-W332 HydrophobicContact CG1-CZ3 3.99Å; V197-W332 HydrophobicContact CG2-CH2 4.39Å; G292-W332 WeakPolarHBondContact O-CB 3.47Å; G292-W332 PolarHBondContact O-N 3.06Å; V294-W332 HydrophobicContact CG1-CB 4.26Å; V294-W332 HydrophobicContact CG1-CE3 4.19Å; V294-W332 HydrophobicContact CG2-CB 4.42Å; V294-W332 HydrophobicContact CG2-CE3 3.78Å; V330-W332 PolarHBondContact O-N 2.8Å; W332-F334 VanDerWaalsContact C-N 3.25Å; W332-F334 PolarHBondContact O-N 3.2Å; W332-A335 HydrophobicContact CE3-CB 4.26Å; W332-A335 PolarHBondContact O-N 3.14Å; W332-D336 HydrophobicContact CD2-CB 4.12Å; W332-D336 HydrophobicContact CH2-CB 4.23Å; W332-D336 HydrophobicContact CZ2-CB 3.75Å; W332-D336 WeakPolarHBondContact CZ2-OD1 3.38Å; W332-D336 WeakPolarHBondContact O-CB 3.32Å; W332-D336 PolarHBondContact O-N 2.67Å; W332-I339 HydrophobicContact CH2-CD1 4.31Å; W332-I339 HydrophobicContact CZ3-CD1 3.83Å; W332-V353 HydrophobicContact CE3-CG1 4.39Å; W332-V353 HydrophobicContact CZ3-CG1 4.06Å; W332-V353 HydrophobicContact CZ3-CG2 4.43Å
333S74.7Confident67.9Low65 Ų6573.3 Ų73.346%0.45537%0.374SS..Hα-helixtrans-61-36.8-179.462.20000112.4D331D331-S333 VanDerWaalsContact C-N 3.25Å; D331-S333 PolarHBondContact O-N 2.68Å; D331-S333 WeakPolarHBondContact OD1-CB 3.44Å; D331-S333 PolarHBondContact OD1-N 3.21Å; D331-S333 PolarHBondContact OD1-OG 3.41Å
334F74Confident68.9Low146 Ų14671 Ų7164%0.6436%0.359SS*.Hα-helixtrans-77.1-40.7175.5-70-86.5000111.9D331 W332D331-F334 HydrophobicContact CB-CD2 3.78Å; D331-F334 HydrophobicContact CB-CE2 4.48Å; D331-F334 PolarHBondContact O-N 3.37Å; W332-F334 VanDerWaalsContact C-N 3.25Å; W332-F334 PolarHBondContact O-N 3.2Å
335A73Confident69.8Low1 Ų165.1 Ų65.11%0.00833%0.334CS..Hα-helixtrans-68.6-37.3179.400000112.7I296 D331 W332 Y338 I339I296-A335 HydrophobicContact CD1-CB 3.62Å; D331-A335 PolarHBondContact O-N 3.1Å; D331-A335 VanDerWaalsContact O-N 3.1Å; W332-A335 HydrophobicContact CE3-CB 4.26Å; W332-A335 PolarHBondContact O-N 3.14Å; A335-Y338 PolarHBondContact O-N 2.86Å; A335-I339 HydrophobicContact CB-CD1 4.25Å; A335-I339 WeakPolarHBondContact O-CB 3.28Å; A335-I339 WeakPolarHBondContact O-CG1 2.99Å; A335-I339 PolarHBondContact O-N 3.01Å
336D75.1Confident70.7Confident26 Ų2665.7 Ų65.714%0.13934%0.337CS..Hα-helixtrans-63.1-45.3-177.5-173.946.6000111.6W332 Y338 I339 K340W332-D336 HydrophobicContact CD2-CB 4.12Å; W332-D336 HydrophobicContact CH2-CB 4.23Å; W332-D336 HydrophobicContact CZ2-CB 3.75Å; W332-D336 WeakPolarHBondContact CZ2-OD1 3.38Å; W332-D336 WeakPolarHBondContact O-CB 3.32Å; W332-D336 PolarHBondContact O-N 2.67Å; D336-Y338 VanDerWaalsContact C-N 3.28Å; D336-Y338 PolarHBondContact O-N 3.34Å; D336-I339 PolarHBondContact O-N 3.15Å; D336-K340 VanDerWaalsContact O-CB 3.25Å; D336-K340 WeakPolarHBondContact O-CB 3.45Å; D336-K340 VanDerWaalsContact O-CG 3.24Å; D336-K340 WeakPolarHBondContact O-CG 3.39Å; D336-K340 PolarHBondContact O-N 3.46Å; D336-K340 WeakPolarHBondContact OD1-CE 3.25Å; D336-K340 IonicContact OD1-NZ 3.04Å; D336-K340 WeakPolarHBondContact OD2-CE 3.29Å; D336-K340 IonicContact OD2-NZ 3.06Å; D336-K340 PolarHBondContact OD2-NZ 3.13Å
337N74.8Confident71.5Confident114 Ų11460.7 Ų60.761%0.6132%0.322SS*.Hα-helixtrans-60.7-38.1176.4-71.9-20.3000112.2S341N337-S341 PolarHBondContact O-N 3.36Å; N337-S341 PolarHBondContact O-OG 3.05Å
338Y74Confident71.9Confident60 Ų6060.9 Ų60.924%0.23533%0.328CS..Hα-helixtrans-73.3-45.6177-173.5-91.6000112.4P305 F307 I308 A335 D336 K340 S341 H342 L345P305-Y338 HydrophobicContact CG-CE1 3.64Å; P305-Y338 HydrophobicContact CG-CE2 4.14Å; P305-Y338 WeakPolarHBondContact CG-OH 3.48Å; F307-Y338 HydrophobicContact CE1-CD2 4.28Å; F307-Y338 HydrophobicContact CE1-CE2 4.11Å; F307-Y338 HydrophobicContact CE2-CD2 4.47Å; F307-Y338 HydrophobicContact CE2-CG 4.4Å; F307-Y338 HydrophobicContact CZ-CD1 4.29Å; F307-Y338 AromaticContact CZ-CD2 3.51Å; F307-Y338 HydrophobicContact CZ-CD2 3.51Å; F307-Y338 AromaticContact CZ-CE2 3.78Å; F307-Y338 HydrophobicContact CZ-CE2 3.78Å; F307-Y338 AromaticContact CZ-CG 3.76Å; F307-Y338 HydrophobicContact CZ-CG 3.76Å; I308-Y338 HydrophobicContact CD1-CD1 3.35Å; I308-Y338 HydrophobicContact CD1-CE1 3.85Å; I308-Y338 HydrophobicContact CD1-CG 3.96Å; A335-Y338 PolarHBondContact O-N 2.86Å; D336-Y338 VanDerWaalsContact C-N 3.28Å; D336-Y338 PolarHBondContact O-N 3.34Å; Y338-K340 VanDerWaalsContact C-N 3.29Å; Y338-K340 PolarHBondContact O-N 3.44Å; Y338-S341 WeakPolarHBondContact CA-OG 3.44Å; Y338-S341 PolarHBondContact O-N 2.89Å; Y338-S341 PolarHBondContact O-OG 3.31Å; Y338-H342 AromaticContact CD1-ND1 3.92Å; Y338-H342 AromaticContact CD2-CE1 3.81Å; Y338-H342 AromaticContact CE1-CE1 3.84Å; Y338-H342 AromaticContact CE1-ND1 3.67Å; Y338-H342 AromaticContact CE2-CE1 3.29Å; Y338-H342 WeakPolarHBondContact CE2-CE1 3.45Å; Y338-H342 AromaticContact CE2-ND1 3.82Å; Y338-H342 AromaticContact CE2-NE2 3.99Å; Y338-H342 AromaticContact CZ-CE1 3.27Å; Y338-H342 AromaticContact CZ-ND1 3.61Å; Y338-H342 AromaticContact CZ-NE2 3.64Å; Y338-H342 PolarHBondContact O-N 2.82Å; Y338-H342 PolarHBondContact O-ND1 2.96Å; Y338-H342 PolarHBondContact OH-NE2 3.09Å; Y338-L345 HydrophobicContact CD1-CD1 4Å; Y338-L345 HydrophobicContact CE1-CD1 3.56Å
339I71.8Confident72.1Confident4 Ų463.3 Ų63.32%0.02134%0.341CS..Hα-helixtrans-64.5-37.5179.2-66.8165.3000110.2I296 W332 A335 D336 S341 H342 L345 Y346I296-I339 HydrophobicContact CD1-CD1 3.98Å; W332-I339 HydrophobicContact CH2-CD1 4.31Å; W332-I339 HydrophobicContact CZ3-CD1 3.83Å; A335-I339 HydrophobicContact CB-CD1 4.25Å; A335-I339 WeakPolarHBondContact O-CB 3.28Å; A335-I339 WeakPolarHBondContact O-CG1 2.99Å; A335-I339 PolarHBondContact O-N 3.01Å; D336-I339 PolarHBondContact O-N 3.15Å; I339-S341 VanDerWaalsContact C-N 3.3Å; I339-S341 PolarHBondContact O-N 3.36Å; I339-H342 CarbonylContact O-C 3.58Å; I339-H342 PolarHBondContact O-N 3.28Å; I339-L345 HydrophobicContact CG2-CB 4.13Å; I339-Y346 HydrophobicContact CG2-CD2 4.03Å
340K73.6Confident71.9Confident129 Ų12965.8 Ų65.856%0.56135%0.35SS*.Hα-helixtrans-65.8-29.5175.9-78.2171.6171.9167.30113.8D336 Y338 H342D336-K340 VanDerWaalsContact O-CB 3.25Å; D336-K340 WeakPolarHBondContact O-CB 3.45Å; D336-K340 VanDerWaalsContact O-CG 3.24Å; D336-K340 WeakPolarHBondContact O-CG 3.39Å; D336-K340 PolarHBondContact O-N 3.46Å; D336-K340 WeakPolarHBondContact OD1-CE 3.25Å; D336-K340 IonicContact OD1-NZ 3.04Å; D336-K340 WeakPolarHBondContact OD2-CE 3.29Å; D336-K340 IonicContact OD2-NZ 3.06Å; D336-K340 PolarHBondContact OD2-NZ 3.13Å; Y338-K340 VanDerWaalsContact C-N 3.29Å; Y338-K340 PolarHBondContact O-N 3.44Å; K340-H342 VanDerWaalsContact C-N 3.28Å
341S73Confident71.7Confident83 Ų8365 Ų6558%0.5835%0.346SS*.Hα-helixtrans-80.3-9.4176.243.60000113.4N337 Y338 I339N337-S341 PolarHBondContact O-N 3.36Å; N337-S341 PolarHBondContact O-OG 3.05Å; Y338-S341 WeakPolarHBondContact CA-OG 3.44Å; Y338-S341 PolarHBondContact O-N 2.89Å; Y338-S341 PolarHBondContact O-OG 3.31Å; I339-S341 VanDerWaalsContact C-N 3.3Å; I339-S341 PolarHBondContact O-N 3.36Å
342H71.4Confident71.7Confident53 Ų5364.5 Ų64.525%0.24534%0.343CS..  trans-125.788.8-178-67.181.3000109Y338 I339 K340 E344 L345Y338-H342 AromaticContact CD1-ND1 3.92Å; Y338-H342 AromaticContact CD2-CE1 3.81Å; Y338-H342 AromaticContact CE1-CE1 3.84Å; Y338-H342 AromaticContact CE1-ND1 3.67Å; Y338-H342 AromaticContact CE2-CE1 3.29Å; Y338-H342 WeakPolarHBondContact CE2-CE1 3.45Å; Y338-H342 AromaticContact CE2-ND1 3.82Å; Y338-H342 AromaticContact CE2-NE2 3.99Å; Y338-H342 AromaticContact CZ-CE1 3.27Å; Y338-H342 AromaticContact CZ-ND1 3.61Å; Y338-H342 AromaticContact CZ-NE2 3.64Å; Y338-H342 PolarHBondContact O-N 2.82Å; Y338-H342 PolarHBondContact O-ND1 2.96Å; Y338-H342 PolarHBondContact OH-NE2 3.09Å; I339-H342 CarbonylContact O-C 3.58Å; I339-H342 PolarHBondContact O-N 3.28Å; K340-H342 VanDerWaalsContact C-N 3.28Å; H342-E344 VanDerWaalsContact C-OE2 3.32Å; H342-E344 WeakPolarHBondContact CB-OE1 3.32Å; H342-E344 IonicContact CD2-OE1 2.75Å; H342-E344 PolarHBondContact CD2-OE1 3.4Å; H342-E344 IonicContact CG-OE1 3.61Å; H342-E344 PolarHBondContact O-N 3.36Å; H342-E344 VanDerWaalsContact O-N 3.12Å; H342-L345 HydrophobicContact CB-CB 4.21Å; H342-L345 HydrophobicContact CB-CD1 3.67Å; H342-L345 HydrophobicContact CB-CG 3.93Å; H342-L345 WeakPolarHBondContact O-CB 3.41Å; H342-L345 PolarHBondContact O-N 3.34Å
343A67.4Low71.8Confident81 Ų8165 Ų6567%0.66935%0.349SS*.G310 helixtrans-55.1-34.5-171.900000113L345 Y346A343-L345 VanDerWaalsContact C-N 3.28Å; A343-L345 PolarHBondContact O-N 3.06Å; A343-Y346 WeakPolarHBondContact O-CB 3.48Å; A343-Y346 PolarHBondContact O-N 3.44Å; A343-Y346 VanDerWaalsContact O-N 3.13Å
344E67Low71.9Confident89 Ų8969.8 Ų69.842%0.41636%0.357SS..G310 helixtrans-60.6-32.7175.467-77.4-177.700113.2I302 H342 Y346 Q350I302-E344 HydrophobicContact CD1-CB 4.1Å; I302-E344 HydrophobicContact CD1-CG 3.93Å; H342-E344 VanDerWaalsContact C-OE2 3.32Å; H342-E344 WeakPolarHBondContact CB-OE1 3.32Å; H342-E344 IonicContact CD2-OE1 2.75Å; H342-E344 PolarHBondContact CD2-OE1 3.4Å; H342-E344 IonicContact CG-OE1 3.61Å; H342-E344 PolarHBondContact O-N 3.36Å; H342-E344 VanDerWaalsContact O-N 3.12Å; E344-Y346 VanDerWaalsContact C-N 3.29Å; E344-Y346 PolarHBondContact O-N 2.92Å; E344-Q350 PolarHBondContact O-OE1 3.01Å
345L66Low72Confident7 Ų764.2 Ų64.24%0.03733%0.333CS..G310 helixtrans-78.8-13.7178.3-65.2177.7000113I302 L304 Y338 I339 H342 A343 D347 V351I302-L345 HydrophobicContact CG2-CD2 3.58Å; L304-L345 HydrophobicContact CD2-CD1 4.37Å; L304-L345 HydrophobicContact CD2-CD2 3.84Å; Y338-L345 HydrophobicContact CD1-CD1 4Å; Y338-L345 HydrophobicContact CE1-CD1 3.56Å; I339-L345 HydrophobicContact CG2-CB 4.13Å; H342-L345 HydrophobicContact CB-CB 4.21Å; H342-L345 HydrophobicContact CB-CD1 3.67Å; H342-L345 HydrophobicContact CB-CG 3.93Å; H342-L345 WeakPolarHBondContact O-CB 3.41Å; H342-L345 PolarHBondContact O-N 3.34Å; A343-L345 VanDerWaalsContact C-N 3.28Å; A343-L345 PolarHBondContact O-N 3.06Å; L345-D347 VanDerWaalsContact C-N 3.31Å; L345-V351 HydrophobicContact CB-CG2 4.21Å; L345-V351 HydrophobicContact CD2-CG2 3.63Å; L345-V351 WeakPolarHBondContact O-CB 3.4Å; L345-V351 WeakPolarHBondContact O-CG2 3.42Å
346Y66.6Low72.4Confident112 Ų11264.3 Ų64.344%0.43933%0.333SS..G310 helixtrans-79.8-16.2177.9-157.8-99.4000112.6R200 I339 A343 E344 P348R200-Y346 PolarHBondContact NH2-OH 3.37Å; I339-Y346 HydrophobicContact CG2-CD2 4.03Å; A343-Y346 WeakPolarHBondContact O-CB 3.48Å; A343-Y346 PolarHBondContact O-N 3.44Å; A343-Y346 VanDerWaalsContact O-N 3.13Å; E344-Y346 VanDerWaalsContact C-N 3.29Å; E344-Y346 PolarHBondContact O-N 2.92Å; Y346-P348 VanDerWaalsContact O-CD 3.31Å; Y346-P348 WeakPolarHBondContact O-CD 3.5Å
347D70.2Confident72.6Confident57 Ų5766 Ų6631%0.30535%0.345SS..  trans-69.6115.2178.1-175.2-8000110.8L345 T349 Q350 V351L345-D347 VanDerWaalsContact C-N 3.31Å; D347-T349 PolarHBondContact O-N 2.88Å; D347-T349 VanDerWaalsContact O-N 3.12Å; D347-T349 WeakPolarHBondContact OD1-CB 3.38Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.25Å; D347-T349 PolarHBondContact OD1-N 3.31Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 2.77Å; D347-Q350 HydrophobicContact CB-CB 4.41Å; D347-Q350 HydrophobicContact CB-CG 4.19Å; D347-Q350 PolarHBondContact O-N 3.32Å; D347-V351 PolarHBondContact O-N 3.42Å
348P67.6Low73Confident88 Ų8860.7 Ų60.757%0.57132%0.317SS*.THydrogen-bonded Turntrans-65.1-13.917929-36.6000113.9Y346Y346-P348 VanDerWaalsContact O-CD 3.31Å; Y346-P348 WeakPolarHBondContact O-CD 3.5Å
349T70.5Confident73.6Confident96 Ų9660.9 Ų60.959%0.58933%0.325SS*.THydrogen-bonded Turntrans-73.9-31.717373.90000111.6D347D347-T349 PolarHBondContact O-N 2.88Å; D347-T349 VanDerWaalsContact O-N 3.12Å; D347-T349 WeakPolarHBondContact OD1-CB 3.38Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.25Å; D347-T349 PolarHBondContact OD1-N 3.31Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 2.77Å
350Q71.1Confident74.3Confident65 Ų6561.7 Ų61.730%0.30433%0.332SS..THydrogen-bonded Turntrans-93.8-40.1-177.8-59.1-169.50.600112.1S298 K299 E344 D347S298-Q350 WeakPolarHBondContact CA-O 3.45Å; K299-Q350 PolarHBondContact N-O 3.43Å; E344-Q350 PolarHBondContact O-OE1 3.01Å; D347-Q350 HydrophobicContact CB-CB 4.41Å; D347-Q350 HydrophobicContact CB-CG 4.19Å; D347-Q350 PolarHBondContact O-N 3.32Å
351V72.4Confident75.1Confident7 Ų755.5 Ų55.54%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-123.6121.3-176-176.40000111.2I296 L345 D347 V353I296-V351 HydrophobicContact CG2-CG1 3.51Å; L345-V351 HydrophobicContact CB-CG2 4.21Å; L345-V351 HydrophobicContact CD2-CG2 3.63Å; L345-V351 WeakPolarHBondContact O-CB 3.4Å; L345-V351 WeakPolarHBondContact O-CG2 3.42Å; D347-V351 PolarHBondContact O-N 3.42Å; V351-V353 HydrophobicContact CG1-CG2 4.35Å
352I76.7Confident75.9Confident44 Ų4451.9 Ų51.923%0.22628%0.28CS..EExtended strand (participates in β ladder)trans-96.7116.8172.5-50.5172000109.1K297 K299 R354K297-I352 PolarHBondContact N-O 3.41Å; K297-I352 PolarHBondContact O-N 2.85Å; K299-I352 HydrophobicContact CD-CD1 4.03Å; K299-I352 HydrophobicContact CD-CG1 4.36Å; K299-I352 HydrophobicContact CG-CD1 3.87Å; K299-I352 HydrophobicContact CG-CG1 4.15Å; I352-R354 HydrophobicContact CG2-CG 3.88Å
353V76.1Confident76.8Confident38 Ų3849.5 Ų49.523%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-96.7125.7168.4-172.40000109.1V197 V294 H295 I296 W332 V351V197-V353 HydrophobicContact CG1-CB 4.43Å; V197-V353 HydrophobicContact CG1-CG1 4.01Å; V294-V353 HydrophobicContact CB-CG1 3.76Å; V294-V353 HydrophobicContact CG1-CG1 3.83Å; V294-V353 HydrophobicContact CG2-CG1 4.06Å; H295-V353 WeakPolarHBondContact O-CA 3.29Å; I296-V353 HydrophobicContact CG1-CG1 4.5Å; I296-V353 HydrophobicContact CG1-CG2 4.41Å; W332-V353 HydrophobicContact CE3-CG1 4.39Å; W332-V353 HydrophobicContact CZ3-CG1 4.06Å; W332-V353 HydrophobicContact CZ3-CG2 4.43Å; V351-V353 HydrophobicContact CG1-CG2 4.35Å
354R76.8Confident78Confident166 Ų16645.7 Ų45.763%0.62624%0.238SC*.EExtended strand (participates in β ladder)trans-123.1137.9174.6-62.6-172.4177.6-171.6-1.1109.9V294 H295 I352 A356V294-R354 CarbonylContact C-O 3.48Å; V294-R354 VanDerWaalsContact CA-O 3.28Å; V294-R354 WeakPolarHBondContact CA-O 3.34Å; V294-R354 WeakPolarHBondContact CB-O 2.97Å; H295-R354 PolarHBondContact N-O 3.2Å; H295-R354 PolarHBondContact O-N 3.47Å; I352-R354 HydrophobicContact CG2-CG 3.88Å; R354-A356 PolarHBondContact O-N 2.84Å
355E77.7Confident79Confident29 Ų2942.9 Ų42.914%0.13623%0.228CC..EExtended strand (participates in β ladder)trans-58.7136.7171.1-66.2178.817200110R194 T198 H358R194-E355 IonicContact CZ-OE1 3.59Å; R194-E355 IonicContact NE-OE1 3.82Å; R194-E355 PolarHBondContact NE-OE1 3.37Å; R194-E355 IonicContact NH2-OE1 3.21Å; T198-E355 WeakPolarHBondContact CB-OE1 3.23Å; T198-E355 HydrophobicContact CG2-CG 3.31Å; T198-E355 PolarHBondContact OG1-OE1 3.15Å; E355-H358 IonicContact OE2-CE1 2.96Å; E355-H358 PolarHBondContact OE2-CE1 3.38Å; E355-H358 IonicContact OE2-NE2 2.64Å
356A79.8Confident80.1Confident2 Ų244.2 Ų44.22%0.01723%0.234CC..PPolyproline II helixtrans-63.1158.7168.600000110.5L293 A329 R354 H358L293-A356 HydrophobicContact CB-CB 3.74Å; L293-A356 WeakPolarHBondContact O-CB 3.44Å; L293-A356 PolarHBondContact O-N 3.3Å; A329-A356 HydrophobicContact CB-CB 3.83Å; R354-A356 PolarHBondContact O-N 2.84Å; A356-H358 PolarHBondContact O-N 3.39Å; A356-H358 PolarHBondContact O-ND1 3.37Å
357P80.1Confident81Confident61 Ų6146.5 Ų46.540%0.39625%0.247SC..PPolyproline II helixtrans-53.8136.3174-25.635.6000111.3T291 T359T291-P357 WeakPolarHBondContact CG2-O 3.21Å; P357-T359 HydrophobicContact CB-CG2 3.87Å; P357-T359 PolarHBondContact O-N 2.75Å; P357-T359 PolarHBondContact O-OG1 3.17Å
358H83.5Confident81.8Confident3 Ų347.9 Ų47.91%0.01425%0.248CC..  trans-75.966.8-177.7-65.553.4000111.5K213 R216 V284 G289 C290 E355 A356K213-H358 WeakPolarHBondContact CB-NE2 3.32Å; R216-H358 VanDerWaalsContact CD-O 3.24Å; R216-H358 WeakPolarHBondContact CD-O 3.25Å; R216-H358 PolarHBondContact NE-O 2.93Å; R216-H358 PolarHBondContact NH2-O 2.99Å; V284-H358 HydrophobicContact CG1-CB 3.95Å; V284-H358 HydrophobicContact CG2-CB 4.21Å; G289-H358 CarbonylContact O-C 3.5Å; G289-H358 WeakPolarHBondContact O-CA 3.27Å; G289-H358 WeakPolarHBondContact O-CB 3.37Å; C290-H358 PolarHBondContact SG-CD2 3.16Å; E355-H358 IonicContact OE2-CE1 2.96Å; E355-H358 PolarHBondContact OE2-CE1 3.38Å; E355-H358 IonicContact OE2-NE2 2.64Å; A356-H358 PolarHBondContact O-N 3.39Å; A356-H358 PolarHBondContact O-ND1 3.37Å
359T85.7Confident82.8Confident65 Ų6544 Ų4440%0.39922%0.222SC..  trans-98.92.4-172.5530000113.7G289 P357 C361 A362G289-T359 PolarHBondContact O-N 2.83Å; P357-T359 HydrophobicContact CB-CG2 3.87Å; P357-T359 PolarHBondContact O-N 2.75Å; P357-T359 PolarHBondContact O-OG1 3.17Å; T359-C361 PolarHBondContact O-N 3.42Å; T359-A362 VanDerWaalsContact O-CB 3.28Å; T359-A362 WeakPolarHBondContact O-CB 3.39Å; T359-A362 PolarHBondContact O-N 3.45Å
360A87.7Confident83.7Confident20 Ų2043.5 Ų43.517%0.16521%0.214CC..THydrogen-bonded Turntrans-59-35.2-176.800000112H184 G289 C290 T291 N385H184-A360 VanDerWaalsContact CE1-CB 3.45Å; H184-A360 WeakPolarHBondContact CE1-CB 3.46Å; G289-A360 WeakPolarHBondContact O-CB 3.2Å; G289-A360 PolarHBondContact O-N 2.88Å; G289-A360 VanDerWaalsContact O-N 3.15Å; C290-A360 VanDerWaalsContact O-CB 3.3Å; C290-A360 WeakPolarHBondContact O-CB 3.39Å; T291-A360 HydrophobicContact CG2-CB 4.06Å; A360-N385 PolarHBondContact O-ND2 3.42Å; A360-N385 PolarHBondContact O-OD1 3.42Å
361C89.3Confident84.6Confident0 Ų047.3 Ų47.30%023%0.23CC..THydrogen-bonded Turntrans-96.612.2176.9-75.20000114.1P178 C283 L288 T359 N363P178-C361 HydrophobicContact CG-CB 3.61Å; P178-C361 WeakPolarHBondContact CG-O 3.23Å; C283-C361 HydrophobicContact CB-CB 3.67Å; L288-C361 VanDerWaalsContact C-SG 3.53Å; L288-C361 PolarHBondContact O-SG 3.42Å; T359-C361 PolarHBondContact O-N 3.42Å; C361-N363 PolarHBondContact O-N 3.29Å
362A90.2Very high85.5Confident6 Ų647 Ų475%0.0523%0.228CC..  trans-73.8120.8-178.800000111.1E280 T359 I384 N385E280-A362 WeakPolarHBondContact OE2-CA 3.33Å; T359-A362 VanDerWaalsContact O-CB 3.28Å; T359-A362 WeakPolarHBondContact O-CB 3.39Å; T359-A362 PolarHBondContact O-N 3.45Å; A362-I384 WeakPolarHBondContact O-CB 3.22Å; A362-N385 PolarHBondContact O-ND2 3.45Å
363N90.5Very high86.2Confident4 Ų446.4 Ų46.42%0.02123%0.227CC..  trans-95.1-14.6169.8-88.8-7000112.7P178 W276 C361 N383 I384P178-N363 WeakPolarHBondContact CA-ND2 3.3Å; P178-N363 VanDerWaalsContact CB-OD1 3.29Å; P178-N363 WeakPolarHBondContact CB-OD1 3.45Å; W276-N363 HydrophobicContact CB-CB 4.22Å; W276-N363 HydrophobicContact CD2-CB 4.05Å; W276-N363 HydrophobicContact CE3-CB 3.9Å; W276-N363 HydrophobicContact CG-CB 4.21Å; C361-N363 PolarHBondContact O-N 3.29Å; N363-N383 CarbonylContact O-C 2.91Å; N363-N383 VanDerWaalsContact O-CA 3.23Å; N363-N383 WeakPolarHBondContact O-CA 3.35Å; N363-N383 PolarHBondContact O-N 2.95Å; N363-I384 PolarHBondContact O-N 3.22Å
364I91.6Very high87Confident1 Ų146 Ų461%0.00522%0.224CC..BIsolated β-bridgetrans-141137.5-177.9-173.863.6000111.8V273 L277 L366 Y369 G381 F382V273-I364 HydrophobicContact CB-CG1 4.43Å; V273-I364 HydrophobicContact CG1-CB 4.4Å; V273-I364 HydrophobicContact CG1-CG1 3.76Å; V273-I364 HydrophobicContact CG1-CG2 4.16Å; V273-I364 HydrophobicContact CG2-CD1 3.83Å; V273-I364 HydrophobicContact CG2-CG1 3.9Å; L277-I364 HydrophobicContact CD2-CG2 3.65Å; L277-I364 HydrophobicContact CG-CG2 3.92Å; I364-L366 HydrophobicContact CG1-CD2 4.16Å; I364-Y369 HydrophobicContact CD1-CG 4.3Å; I364-G381 CarbonylContact C-O 3.39Å; I364-G381 WeakPolarHBondContact CA-O 3.29Å; I364-G381 VanDerWaalsContact CD1-O 3.26Å; I364-G381 WeakPolarHBondContact CD1-O 3.39Å; I364-F382 HydrophobicContact CD1-CD2 4.2Å
365S89.8Confident87.6Confident30 Ų3038.6 Ų38.621%0.2120%0.197CC..  trans-109.294.1164.9-176.10000109.1K367 R368 Y369 G381S365-K367 VanDerWaalsContact C-N 3.25Å; S365-K367 PolarHBondContact O-N 3.5Å; S365-R368 PolarHBondContact O-N 2.89Å; S365-R368 WeakPolarHBondContact OG-CG 3.41Å; S365-Y369 PolarHBondContact O-N 2.91Å; S365-G381 PolarHBondContact N-O 3.35Å
366L88Confident88.1Confident34 Ų3439.9 Ų39.918%0.17820%0.204CC..Hα-helixtrans-52.8-43.1-178.8-71.5177.9000112.6L223 V273 L277 I364 R368 Y369 I370L223-L366 HydrophobicContact CD1-CD1 3.98Å; V273-L366 HydrophobicContact CG1-CD2 3.63Å; L277-L366 HydrophobicContact CD1-CD1 3.94Å; L277-L366 HydrophobicContact CD1-CD2 4.28Å; L277-L366 HydrophobicContact CD1-CG 4.38Å; L277-L366 HydrophobicContact CD2-CD1 4.26Å; L277-L366 HydrophobicContact CD2-CG 4.43Å; I364-L366 HydrophobicContact CG1-CD2 4.16Å; L366-R368 PolarHBondContact O-N 3.01Å; L366-Y369 PolarHBondContact O-N 2.85Å; L366-I370 HydrophobicContact CB-CD1 4.36Å; L366-I370 VanDerWaalsContact O-CB 3.29Å; L366-I370 WeakPolarHBondContact O-CB 3.36Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 2.53Å
367K86.5Confident88.5Confident161 Ų16140.6 Ų40.670%0.721%0.208SC*.Hα-helixtrans-60.5-46.6178.1-173.9178.1179.7176.80111.3S365 F371S365-K367 VanDerWaalsContact C-N 3.25Å; S365-K367 PolarHBondContact O-N 3.5Å; K367-F371 HydrophobicContact CG-CD2 3.91Å; K367-F371 HydrophobicContact CG-CE2 4.3Å; K367-F371 WeakPolarHBondContact O-CB 3.35Å; K367-F371 VanDerWaalsContact O-CD2 3.25Å; K367-F371 WeakPolarHBondContact O-CD2 3.36Å; K367-F371 PolarHBondContact O-N 3.31Å; K367-F371 VanDerWaalsContact O-N 3.1Å
368R87.1Confident89Confident85 Ų8538.6 Ų38.632%0.32119%0.194SC..Hα-helixtrans-66.5-43.1179-68.8180-179.1-84.67.8111.4S365 L366 F371 A372S365-R368 PolarHBondContact O-N 2.89Å; S365-R368 WeakPolarHBondContact OG-CG 3.41Å; L366-R368 PolarHBondContact O-N 3.01Å; R368-F371 CarbonylContact O-C 3.6Å; R368-A372 VanDerWaalsContact O-CA 3.3Å; R368-A372 WeakPolarHBondContact O-CA 3.1Å; R368-A372 VanDerWaalsContact O-CB 3.31Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 3.35Å
369Y88.6Confident89.2Confident6 Ų640.9 Ų40.92%0.02421%0.208CC..Hα-helixtrans-64.7-49.6179.9-179.8-93.4000112.4Q266 L269 L270 I364 S365 L366 F371 A372Q266-Y369 PolarHBondContact OE1-OH 3.11Å; L269-Y369 HydrophobicContact CD2-CE2 3.68Å; L269-Y369 WeakPolarHBondContact CD2-OH 3.48Å; L270-Y369 HydrophobicContact CD2-CD1 4.16Å; L270-Y369 HydrophobicContact CD2-CE1 3.74Å; L270-Y369 HydrophobicContact CG-CE1 4.4Å; I364-Y369 HydrophobicContact CD1-CG 4.3Å; S365-Y369 PolarHBondContact O-N 2.91Å; L366-Y369 PolarHBondContact O-N 2.85Å; Y369-F371 PolarHBondContact O-N 3.29Å; Y369-A372 WeakPolarHBondContact O-CB 3.41Å; Y369-A372 PolarHBondContact O-N 3.28Å
370I89.5Confident89.2Confident86 Ų8638.6 Ų38.644%0.44120%0.196SC..Hα-helixtrans-64.1-42-178.7-67.9168.1000110.9L366 K470L366-I370 HydrophobicContact CB-CD1 4.36Å; L366-I370 VanDerWaalsContact O-CB 3.29Å; L366-I370 WeakPolarHBondContact O-CB 3.36Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 2.53Å; I370-K470 WeakPolarHBondContact O-CE 3.31Å; I370-K470 PolarHBondContact O-NZ 2.93Å
371F89.6Confident89.2Confident145 Ų14537.6 Ų37.664%0.63619%0.188SC*.THydrogen-bonded Turntrans-94.415.3179.6-62.5-70.1000113.6K367 R368 Y369 T373K367-F371 HydrophobicContact CG-CD2 3.91Å; K367-F371 HydrophobicContact CG-CE2 4.3Å; K367-F371 WeakPolarHBondContact O-CB 3.35Å; K367-F371 VanDerWaalsContact O-CD2 3.25Å; K367-F371 WeakPolarHBondContact O-CD2 3.36Å; K367-F371 PolarHBondContact O-N 3.31Å; K367-F371 VanDerWaalsContact O-N 3.1Å; R368-F371 CarbonylContact O-C 3.6Å; Y369-F371 PolarHBondContact O-N 3.29Å; F371-T373 PolarHBondContact O-N 3.02Å
372A91.4Very high89.4Confident0 Ų039.8 Ų39.80%020%0.197CC..  trans-62.7134.2178.800000110.5R368 Y369 D377 I378 K470 I473R368-A372 VanDerWaalsContact O-CA 3.3Å; R368-A372 WeakPolarHBondContact O-CA 3.1Å; R368-A372 VanDerWaalsContact O-CB 3.31Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 3.35Å; Y369-A372 WeakPolarHBondContact O-CB 3.41Å; Y369-A372 PolarHBondContact O-N 3.28Å; A372-D377 HydrophobicContact CB-CB 3.7Å; A372-I378 HydrophobicContact CB-CG1 3.78Å; A372-K470 WeakPolarHBondContact O-CD 3.32Å; A372-I473 HydrophobicContact CB-CG1 4.49Å
373T91.7Very high89.5Confident33 Ų3340.3 Ų40.320%0.20220%0.199CC..  trans-121.4-3.9179.757.30000113.1F371 D377 G469F371-T373 PolarHBondContact O-N 3.02Å; T373-D377 PolarHBondContact N-OD2 3.39Å; T373-D377 PolarHBondContact OG1-OD2 3.42Å; T373-G469 CarbonylContact O-C 3.6Å; T373-G469 WeakPolarHBondContact O-CA 3.14Å
374N91Very high89.5Confident29 Ų2942.4 Ų42.416%0.15521%0.21CC..SBendtrans-155.1166.6179.655.269.9000109.9D376 D377 I378 E439 L443 I473N374-D376 VanDerWaalsContact C-N 3.32Å; N374-D376 PolarHBondContact O-N 3.39Å; N374-D376 WeakPolarHBondContact OD1-CB 3.1Å; N374-D376 PolarHBondContact OD1-N 3.34Å; N374-D377 PolarHBondContact ND2-OD2 3.2Å; N374-D377 WeakPolarHBondContact O-CB 3.22Å; N374-D377 PolarHBondContact O-N 3.34Å; N374-D377 PolarHBondContact OD1-N 3.31Å; N374-D377 PolarHBondContact OD1-OD2 3.19Å; N374-I378 PolarHBondContact O-N 3.27Å; N374-E439 WeakPolarHBondContact CA-OE2 3.29Å; N374-E439 WeakPolarHBondContact CB-OE2 3.35Å; N374-L443 HydrophobicContact CB-CD1 4.34Å; N374-I473 WeakPolarHBondContact O-CD1 3.46Å
375T90.8Very high89.5Confident10 Ų1043.2 Ų43.26%0.06121%0.214CC..Hα-helixtrans-62.2-36.4-178.860.60000113.1D377 I378 V379 V435 V436 E439 I476T375-D377 VanDerWaalsContact C-N 3.29Å; T375-D377 PolarHBondContact O-N 3.18Å; T375-I378 WeakPolarHBondContact O-CB 3.37Å; T375-I378 PolarHBondContact O-N 3.3Å; T375-I378 VanDerWaalsContact O-N 3.08Å; T375-V379 WeakPolarHBondContact O-CG2 3.38Å; T375-V379 PolarHBondContact O-N 2.98Å; T375-V435 HydrophobicContact CG2-CG1 3.75Å; T375-V436 HydrophobicContact CG2-CG2 4.12Å; T375-E439 VanDerWaalsContact CB-OE1 3.27Å; T375-E439 WeakPolarHBondContact CB-OE1 3.43Å; T375-E439 WeakPolarHBondContact CG2-OE1 3.47Å; T375-E439 PolarHBondContact N-OE1 3.21Å; T375-E439 PolarHBondContact N-OE2 3.33Å; T375-E439 VanDerWaalsContact N-OE2 3.11Å; T375-E439 PolarHBondContact OG1-OE1 3.32Å; T375-I476 HydrophobicContact CG2-CD1 3.57Å
376D88.4Confident89.8Confident56 Ų5642.1 Ų42.130%0.29921%0.206SC..Hα-helixtrans-61.6-36.4177.5-81-8.6000111.7N374 A380 K440N374-D376 VanDerWaalsContact C-N 3.32Å; N374-D376 PolarHBondContact O-N 3.39Å; N374-D376 WeakPolarHBondContact OD1-CB 3.1Å; N374-D376 PolarHBondContact OD1-N 3.34Å; D376-A380 WeakPolarHBondContact O-CB 3.47Å; D376-A380 PolarHBondContact O-N 3.47Å; D376-K440 WeakPolarHBondContact OD1-CE 3.45Å; D376-K440 IonicContact OD1-NZ 2.81Å
377D87.7Confident90Very high18 Ų1842 Ų4210%0.09621%0.206CC..Hα-helixtrans-64.3-39.7173.6-76.5-40.1000111.7V322 A372 T373 N374 T375 G381V322-D377 WeakPolarHBondContact CG2-OD1 3.36Å; A372-D377 HydrophobicContact CB-CB 3.7Å; T373-D377 PolarHBondContact N-OD2 3.39Å; T373-D377 PolarHBondContact OG1-OD2 3.42Å; N374-D377 PolarHBondContact ND2-OD2 3.2Å; N374-D377 WeakPolarHBondContact O-CB 3.22Å; N374-D377 PolarHBondContact O-N 3.34Å; N374-D377 PolarHBondContact OD1-N 3.31Å; N374-D377 PolarHBondContact OD1-OD2 3.19Å; T375-D377 VanDerWaalsContact C-N 3.29Å; T375-D377 PolarHBondContact O-N 3.18Å; D377-G381 PolarHBondContact O-N 3.02Å
378I90Very high90.3Very high19 Ų1940 Ų4010%0.09720%0.197CC..Hα-helixtrans-67-52.9176.9-60.9177.5000109.8A372 N374 T375 A380 G381 F382 I473 L477A372-I378 HydrophobicContact CB-CG1 3.78Å; N374-I378 PolarHBondContact O-N 3.27Å; T375-I378 WeakPolarHBondContact O-CB 3.37Å; T375-I378 PolarHBondContact O-N 3.3Å; T375-I378 VanDerWaalsContact O-N 3.08Å; I378-A380 PolarHBondContact O-N 3.02Å; I378-G381 CarbonylContact O-C 3.58Å; I378-G381 WeakPolarHBondContact O-CA 3.27Å; I378-G381 PolarHBondContact O-N 3.01Å; I378-F382 HydrophobicContact CG2-CB 4.3Å; I378-F382 VanDerWaalsContact O-CB 3.31Å; I378-F382 WeakPolarHBondContact O-CB 3.17Å; I378-F382 PolarHBondContact O-N 3.1Å; I378-I473 HydrophobicContact CD1-CB 4.45Å; I378-I473 HydrophobicContact CD1-CD1 3.4Å; I378-I473 HydrophobicContact CD1-CG1 4.18Å; I378-I473 HydrophobicContact CD1-CG2 3.71Å; I378-I473 HydrophobicContact CG1-CD1 3.99Å; I378-I473 HydrophobicContact CG1-CG2 4.41Å; I378-L477 HydrophobicContact CD1-CD1 4.05Å; I378-L477 HydrophobicContact CD1-CD2 4.35Å; I378-L477 HydrophobicContact CD1-CG 4.28Å
379V88.3Confident90.7Very high50 Ų5036.5 Ų36.530%0.30318%0.184SC..Hα-helixtrans-60.4-38-177.6173.60000110.8T375 G381 N387T375-V379 WeakPolarHBondContact O-CG2 3.38Å; T375-V379 PolarHBondContact O-N 2.98Å; V379-G381 VanDerWaalsContact C-N 3.3Å; V379-G381 PolarHBondContact O-N 2.97Å; V379-N387 PolarHBondContact O-ND2 2.58Å
380A85.4Confident91Very high17 Ų1736.9 Ų36.914%0.1419%0.186CC..Hα-helixtrans-73.3-20.6175.200000113.7V322 L323 D376 I378V322-A380 HydrophobicContact CG1-CB 4.24Å; L323-A380 HydrophobicContact CD2-CB 4.05Å; D376-A380 WeakPolarHBondContact O-CB 3.47Å; D376-A380 PolarHBondContact O-N 3.47Å; I378-A380 PolarHBondContact O-N 3.02Å
381G88.6Confident91.2Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-98.4-28.8-177.500000114.5I364 S365 D377 I378 V379I364-G381 CarbonylContact C-O 3.39Å; I364-G381 WeakPolarHBondContact CA-O 3.29Å; I364-G381 VanDerWaalsContact CD1-O 3.26Å; I364-G381 WeakPolarHBondContact CD1-O 3.39Å; S365-G381 PolarHBondContact N-O 3.35Å; D377-G381 PolarHBondContact O-N 3.02Å; I378-G381 CarbonylContact O-C 3.58Å; I378-G381 WeakPolarHBondContact O-CA 3.27Å; I378-G381 PolarHBondContact O-N 3.01Å; V379-G381 VanDerWaalsContact C-N 3.3Å; V379-G381 PolarHBondContact O-N 2.97Å
382F92.1Very high91.4Very high45 Ų4529.7 Ų29.720%0.19716%0.155CC..BIsolated β-bridgetrans-108.4142.3-171.5-178.3-98000111.6L269 V273 W276 I364 I378 I384 N387L269-F382 HydrophobicContact CD1-CD2 4.43Å; L269-F382 HydrophobicContact CD1-CE1 4.39Å; L269-F382 HydrophobicContact CD1-CE2 3.47Å; L269-F382 VanDerWaalsContact CD1-CE2 3.47Å; L269-F382 HydrophobicContact CD1-CZ 3.45Å; L269-F382 VanDerWaalsContact CD1-CZ 3.45Å; L269-F382 HydrophobicContact CD2-CD2 4.31Å; L269-F382 HydrophobicContact CD2-CE2 4.1Å; L269-F382 HydrophobicContact CG-CD2 4.4Å; L269-F382 HydrophobicContact CG-CE2 3.77Å; L269-F382 HydrophobicContact CG-CZ 4.26Å; V273-F382 HydrophobicContact CG2-CD2 4.37Å; V273-F382 HydrophobicContact CG2-CE2 4.24Å; W276-F382 HydrophobicContact CE3-CE2 4.42Å; W276-F382 AromaticContact CH2-CE1 3.96Å; W276-F382 HydrophobicContact CH2-CE1 3.96Å; W276-F382 AromaticContact CH2-CE2 3.79Å; W276-F382 HydrophobicContact CH2-CE2 3.79Å; W276-F382 AromaticContact CH2-CZ 3.44Å; W276-F382 HydrophobicContact CH2-CZ 3.44Å; W276-F382 VanDerWaalsContact CH2-CZ 3.44Å; W276-F382 AromaticContact CZ3-CD2 3.88Å; W276-F382 HydrophobicContact CZ3-CD2 3.88Å; W276-F382 HydrophobicContact CZ3-CE1 4.22Å; W276-F382 AromaticContact CZ3-CE2 3.43Å; W276-F382 HydrophobicContact CZ3-CE2 3.43Å; W276-F382 VanDerWaalsContact CZ3-CE2 3.43Å; W276-F382 HydrophobicContact CZ3-CG 4.43Å; W276-F382 AromaticContact CZ3-CZ 3.62Å; W276-F382 HydrophobicContact CZ3-CZ 3.62Å; I364-F382 HydrophobicContact CD1-CD2 4.2Å; I378-F382 HydrophobicContact CG2-CB 4.3Å; I378-F382 VanDerWaalsContact O-CB 3.31Å; I378-F382 WeakPolarHBondContact O-CB 3.17Å; I378-F382 PolarHBondContact O-N 3.1Å; F382-I384 PolarHBondContact O-N 2.94Å; F382-I384 VanDerWaalsContact O-N 3.13Å; F382-N387 PolarHBondContact O-ND2 3.44Å
383N92Very high91.7Very high17 Ų1730.3 Ų30.39%0.09116%0.158CC..SBendtrans44.244-179.1-155.32.2000114W276 N363 N385 T386 N387W276-N383 HydrophobicContact CH2-CB 3.66Å; W276-N383 HydrophobicContact CZ3-CB 3.9Å; N363-N383 CarbonylContact O-C 2.91Å; N363-N383 VanDerWaalsContact O-CA 3.23Å; N363-N383 WeakPolarHBondContact O-CA 3.35Å; N363-N383 PolarHBondContact O-N 2.95Å; N383-N385 PolarHBondContact O-N 3.43Å; N383-T386 WeakPolarHBondContact ND2-CB 3.43Å; N383-T386 PolarHBondContact ND2-OG1 3.07Å; N383-T386 PolarHBondContact O-N 3.21Å; N383-T386 WeakPolarHBondContact OD1-CB 3.44Å; N383-T386 PolarHBondContact OD1-OG1 3.19Å; N383-N387 PolarHBondContact O-N 3.01Å
384I91.6Very high91.9Very high48 Ų4829.2 Ų29.225%0.24615%0.151CC..Hα-helixtrans-53.1-48.3-162.3-63.5170.6000112.6A362 N363 F382 N387 K388A362-I384 WeakPolarHBondContact O-CB 3.22Å; N363-I384 PolarHBondContact O-N 3.22Å; F382-I384 PolarHBondContact O-N 2.94Å; F382-I384 VanDerWaalsContact O-N 3.13Å; I384-N387 PolarHBondContact O-N 2.96Å; I384-K388 WeakPolarHBondContact O-CB 3.4Å; I384-K388 PolarHBondContact O-N 3.17Å
385N92.3Very high92Very high18 Ų1830.6 Ų30.610%0.09615%0.154CC..Hα-helixtrans-71.3-33.7-177.3-85.3-48.1000113.1P178 Q179 A360 A362 N383 K388 W389P178-N385 HydrophobicContact CB-CB 4.27Å; Q179-N385 VanDerWaalsContact O-CB 3.26Å; Q179-N385 WeakPolarHBondContact O-CB 3.47Å; A360-N385 PolarHBondContact O-ND2 3.42Å; A360-N385 PolarHBondContact O-OD1 3.42Å; A362-N385 PolarHBondContact O-ND2 3.45Å; N383-N385 PolarHBondContact O-N 3.43Å; N385-K388 PolarHBondContact O-N 2.83Å; N385-W389 VanDerWaalsContact O-CB 3.31Å; N385-W389 WeakPolarHBondContact O-CB 3.46Å; N385-W389 PolarHBondContact O-N 3Å
386T94.8Very high92.1Very high7 Ų733.3 Ų33.34%0.04317%0.165CC..Hα-helixtrans-69-41.5173.5-52.80000110.6L127 N383 K388 W389 L390 L415 W418L127-T386 HydrophobicContact CD1-CG2 3.9Å; N383-T386 WeakPolarHBondContact ND2-CB 3.43Å; N383-T386 PolarHBondContact ND2-OG1 3.07Å; N383-T386 PolarHBondContact O-N 3.21Å; N383-T386 WeakPolarHBondContact OD1-CB 3.44Å; N383-T386 PolarHBondContact OD1-OG1 3.19Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.37Å; T386-W389 WeakPolarHBondContact O-CB 3.46Å; T386-W389 PolarHBondContact O-N 2.98Å; T386-L390 WeakPolarHBondContact O-CB 3.25Å; T386-L390 PolarHBondContact O-N 2.94Å; T386-L415 HydrophobicContact CG2-CD2 4.44Å; T386-W418 HydrophobicContact CG2-CH2 4.19Å; T386-W418 HydrophobicContact CG2-CZ3 4.19Å
387N93.1Very high92.4Very high33 Ų3332.6 Ų32.618%0.17616%0.158CC..Hα-helixtrans-63.9-38.3174.7-80.6-20000112.1V379 F382 N383 I384 L390 L391V379-N387 PolarHBondContact O-ND2 2.58Å; F382-N387 PolarHBondContact O-ND2 3.44Å; N383-N387 PolarHBondContact O-N 3.01Å; I384-N387 PolarHBondContact O-N 2.96Å; N387-L390 PolarHBondContact O-N 3.01Å; N387-L391 WeakPolarHBondContact O-CB 3.36Å; N387-L391 PolarHBondContact O-N 3.35Å
388K91.7Very high92.6Very high119 Ų11933.1 Ų33.152%0.51716%0.161SC..Hα-helixtrans-64-45.8171.8-176.9-176.5175.2-1700111.5I384 N385 T386 L390 L391 D392I384-K388 WeakPolarHBondContact O-CB 3.4Å; I384-K388 PolarHBondContact O-N 3.17Å; N385-K388 PolarHBondContact O-N 2.83Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.37Å; K388-L390 PolarHBondContact O-N 2.9Å; K388-L391 WeakPolarHBondContact O-CB 2.98Å; K388-L391 PolarHBondContact O-N 3.15Å; K388-D392 PolarHBondContact O-N 3.09Å
389W95.7Very high92.4Very high11 Ų1140 Ų404%0.04219%0.186CC..Hα-helixtrans-58.3-48175.9-177.398.1000110.7F95 L127 I130 Q179 N385 T386 L391 D392 Y393 V394 F414F95-W389 HydrophobicContact CE1-CH2 4.35Å; L127-W389 HydrophobicContact CB-CD2 4.22Å; L127-W389 HydrophobicContact CB-CZ2 4.16Å; L127-W389 HydrophobicContact CD1-CD2 4.45Å; L127-W389 HydrophobicContact CD1-CE3 4.45Å; L127-W389 HydrophobicContact CD2-CD2 4.26Å; L127-W389 HydrophobicContact CD2-CE3 3.93Å; L127-W389 HydrophobicContact CD2-CH2 3.7Å; L127-W389 HydrophobicContact CD2-CZ2 4Å; L127-W389 HydrophobicContact CD2-CZ3 3.66Å; L127-W389 PolarHBondContact O-NE1 3.22Å; I130-W389 HydrophobicContact CB-CH2 4.34Å; I130-W389 HydrophobicContact CB-CZ2 3.83Å; I130-W389 HydrophobicContact CG2-CH2 3.87Å; I130-W389 HydrophobicContact CG2-CZ2 3.59Å; Q179-W389 HydrophobicContact CG-CB 4.05Å; Q179-W389 HydrophobicContact CG-CG 3.93Å; N385-W389 VanDerWaalsContact O-CB 3.31Å; N385-W389 WeakPolarHBondContact O-CB 3.46Å; N385-W389 PolarHBondContact O-N 3Å; T386-W389 WeakPolarHBondContact O-CB 3.46Å; T386-W389 PolarHBondContact O-N 2.98Å; W389-L391 VanDerWaalsContact C-N 3.31Å; W389-L391 PolarHBondContact O-N 3.46Å; W389-D392 PolarHBondContact O-N 3.38Å; W389-Y393 HydrophobicContact CB-CD2 4.26Å; W389-Y393 AromaticContact CD1-CD2 3.29Å; W389-Y393 AromaticContact CD1-CE2 3.46Å; W389-Y393 VanDerWaalsContact CD1-CE2 3.46Å; W389-Y393 AromaticContact CD2-CD2 3.87Å; W389-Y393 HydrophobicContact CD2-CD2 3.87Å; W389-Y393 HydrophobicContact CD2-CG 4.47Å; W389-Y393 AromaticContact CE2-CD2 3.73Å; W389-Y393 AromaticContact CG-CD2 3.58Å; W389-Y393 HydrophobicContact CG-CD2 3.58Å; W389-Y393 HydrophobicContact CG-CE2 4.11Å; W389-Y393 HydrophobicContact CZ2-CG 4.47Å; W389-Y393 AromaticContact NE1-CD2 3.4Å; W389-Y393 AromaticContact NE1-CE2 3.77Å; W389-Y393 WeakPolarHBondContact O-CB 3.46Å; W389-Y393 VanDerWaalsContact O-CD2 3.27Å; W389-Y393 WeakPolarHBondContact O-CD2 3.4Å; W389-Y393 PolarHBondContact O-N 3.47Å; W389-V394 HydrophobicContact CH2-CG2 4.13Å; W389-V394 HydrophobicContact CZ3-CG2 3.71Å; W389-F414 HydrophobicContact CE3-CE1 4.43Å; W389-F414 HydrophobicContact CH2-CE1 4.09Å; W389-F414 HydrophobicContact CH2-CE2 4.39Å; W389-F414 AromaticContact CH2-CZ 3.63Å; W389-F414 HydrophobicContact CH2-CZ 3.63Å; W389-F414 HydrophobicContact CZ3-CD1 4.41Å; W389-F414 AromaticContact CZ3-CE1 3.49Å; W389-F414 HydrophobicContact CZ3-CE1 3.49Å; W389-F414 VanDerWaalsContact CZ3-CE1 3.49Å; W389-F414 AromaticContact CZ3-CZ 3.55Å; W389-F414 HydrophobicContact CZ3-CZ 3.55Å
390L96.3Very high92.3Very high14 Ų1445.3 Ų45.37%0.07321%0.205CC..Hα-helixtrans-59.8-43.1177.8-173.774.1000111.4T386 N387 K388 D392 V394 Y395 F414 L415T386-L390 WeakPolarHBondContact O-CB 3.25Å; T386-L390 PolarHBondContact O-N 2.94Å; N387-L390 PolarHBondContact O-N 3.01Å; K388-L390 PolarHBondContact O-N 2.9Å; L390-D392 PolarHBondContact O-N 3.19Å; L390-V394 HydrophobicContact CD1-CB 3.91Å; L390-V394 HydrophobicContact CD1-CG1 4.33Å; L390-V394 HydrophobicContact CD1-CG2 3.91Å; L390-V394 CarbonylContact O-C 3.52Å; L390-V394 WeakPolarHBondContact O-CA 3.34Å; L390-V394 WeakPolarHBondContact O-CB 3.47Å; L390-V394 PolarHBondContact O-N 3.14Å; L390-Y395 PolarHBondContact O-N 2.92Å; L390-F414 HydrophobicContact CD1-CD1 3.56Å; L390-F414 HydrophobicContact CD1-CE1 4.16Å; L390-F414 HydrophobicContact CD1-CG 4.34Å; L390-L415 HydrophobicContact CD1-CD2 4.26Å; L390-L415 HydrophobicContact CD1-CG 4.26Å; L390-L415 HydrophobicContact CD2-CD1 3.74Å; L390-L415 HydrophobicContact CD2-CD2 4.19Å; L390-L415 HydrophobicContact CD2-CG 3.82Å
391L93.6Very high92.5Very high64 Ų6447.7 Ų47.734%0.33522%0.215SC..Hα-helixtrans-60-46.5176.9177.563.8000111.8N387 K388 W389 Y395 K396N387-L391 WeakPolarHBondContact O-CB 3.36Å; N387-L391 PolarHBondContact O-N 3.35Å; K388-L391 WeakPolarHBondContact O-CB 2.98Å; K388-L391 PolarHBondContact O-N 3.15Å; W389-L391 VanDerWaalsContact C-N 3.31Å; W389-L391 PolarHBondContact O-N 3.46Å; L391-Y395 HydrophobicContact CD1-CD1 3.66Å; L391-Y395 HydrophobicContact CD1-CE1 4.39Å; L391-Y395 HydrophobicContact CD1-CG 4.25Å; L391-K396 HydrophobicContact CD1-CG 4.25Å; L391-K396 HydrophobicContact CG-CD 4.39Å; L391-K396 VanDerWaalsContact O-CB 3.29Å; L391-K396 WeakPolarHBondContact O-CB 3.38Å; L391-K396 WeakPolarHBondContact O-CG 3.37Å; L391-K396 PolarHBondContact O-N 3.42Å
392D93.8Very high92.5Very high16 Ų1651.2 Ų51.29%0.08625%0.252CS..Hα-helixtrans-81.7-36.2-172.6-75.1-31.3000113.7S149 K388 W389 L390 K396 R397S149-D392 VanDerWaalsContact CB-CG 3.49Å; S149-D392 WeakPolarHBondContact CB-OD1 3.3Å; S149-D392 WeakPolarHBondContact CB-OD2 3.46Å; S149-D392 PolarHBondContact OG-OD1 2.97Å; K388-D392 PolarHBondContact O-N 3.09Å; W389-D392 PolarHBondContact O-N 3.38Å; L390-D392 PolarHBondContact O-N 3.19Å; D392-K396 IonicContact OD1-NZ 3.8Å; D392-K396 PolarHBondContact OD1-NZ 2.74Å; D392-R397 PolarHBondContact O-NE 3.49Å
393Y96Very high92.4Very high13 Ų1352.8 Ų52.85%0.05126%0.262CS..Hα-helixtrans-105.1-13.9-172.7-62-72.8000114.3W134 D135 W389 R397W134-Y393 HydrophobicContact CB-CD1 3.41Å; W134-Y393 VanDerWaalsContact CB-CD1 3.41Å; W134-Y393 HydrophobicContact CB-CE1 3.56Å; W134-Y393 AromaticContact CD1-CD1 3.57Å; W134-Y393 AromaticContact CG-CD1 3.58Å; W134-Y393 HydrophobicContact CG-CD1 3.58Å; W134-Y393 HydrophobicContact CG-CE1 4.25Å; W134-Y393 PolarHBondContact NE1-O 3.23Å; D135-Y393 VanDerWaalsContact CG-OH 3.27Å; D135-Y393 WeakPolarHBondContact OD1-CE1 2.86Å; D135-Y393 PolarHBondContact OD1-OH 3.27Å; D135-Y393 PolarHBondContact OD2-OH 3.41Å; W389-Y393 HydrophobicContact CB-CD2 4.26Å; W389-Y393 AromaticContact CD1-CD2 3.29Å; W389-Y393 AromaticContact CD1-CE2 3.46Å; W389-Y393 VanDerWaalsContact CD1-CE2 3.46Å; W389-Y393 AromaticContact CD2-CD2 3.87Å; W389-Y393 HydrophobicContact CD2-CD2 3.87Å; W389-Y393 HydrophobicContact CD2-CG 4.47Å; W389-Y393 AromaticContact CE2-CD2 3.73Å; W389-Y393 AromaticContact CG-CD2 3.58Å; W389-Y393 HydrophobicContact CG-CD2 3.58Å; W389-Y393 HydrophobicContact CG-CE2 4.11Å; W389-Y393 HydrophobicContact CZ2-CG 4.47Å; W389-Y393 AromaticContact NE1-CD2 3.4Å; W389-Y393 AromaticContact NE1-CE2 3.77Å; W389-Y393 WeakPolarHBondContact O-CB 3.46Å; W389-Y393 VanDerWaalsContact O-CD2 3.27Å; W389-Y393 WeakPolarHBondContact O-CD2 3.4Å; W389-Y393 PolarHBondContact O-N 3.47Å; Y393-R397 VanDerWaalsContact C-CG 3.5Å; Y393-R397 VanDerWaalsContact O-CG 3.25Å; Y393-R397 WeakPolarHBondContact O-CG 3.3Å
394V96.3Very high92.3Very high10 Ų1059.5 Ų59.56%0.06129%0.29CS..THydrogen-bonded Turntrans-121.7-69.2177.5-174.40000110.5F95 W389 L390 K396 R397 L398 F414F95-V394 HydrophobicContact CE1-CG2 4.21Å; F95-V394 HydrophobicContact CZ-CG2 4.3Å; W389-V394 HydrophobicContact CH2-CG2 4.13Å; W389-V394 HydrophobicContact CZ3-CG2 3.71Å; L390-V394 HydrophobicContact CD1-CB 3.91Å; L390-V394 HydrophobicContact CD1-CG1 4.33Å; L390-V394 HydrophobicContact CD1-CG2 3.91Å; L390-V394 CarbonylContact O-C 3.52Å; L390-V394 WeakPolarHBondContact O-CA 3.34Å; L390-V394 WeakPolarHBondContact O-CB 3.47Å; L390-V394 PolarHBondContact O-N 3.14Å; V394-K396 PolarHBondContact O-N 3Å; V394-R397 WeakPolarHBondContact O-CB 3.31Å; V394-R397 PolarHBondContact O-N 3.44Å; V394-L398 HydrophobicContact CG1-CD1 3.88Å; V394-L398 WeakPolarHBondContact O-CG 3.44Å; V394-L398 PolarHBondContact O-N 2.86Å; V394-L398 VanDerWaalsContact O-N 3.09Å; V394-F414 HydrophobicContact CG2-CD1 4.44Å; V394-F414 HydrophobicContact CG2-CG 4.43Å
395Y94.4Very high92.1Very high58 Ų5862 Ų6223%0.22731%0.305CS..G310 helixtrans-56.9-52-171.4-179.6-93.4000113.1L390 L391 R397 L398 Q408 S411L390-Y395 PolarHBondContact O-N 2.92Å; L391-Y395 HydrophobicContact CD1-CD1 3.66Å; L391-Y395 HydrophobicContact CD1-CE1 4.39Å; L391-Y395 HydrophobicContact CD1-CG 4.25Å; Y395-R397 PolarHBondContact O-N 3.44Å; Y395-L398 PolarHBondContact O-N 3.16Å; Y395-Q408 HydrophobicContact CE2-CB 4.13Å; Y395-S411 WeakPolarHBondContact CA-OG 3.34Å
396K93Very high92.1Very high66 Ų6664.4 Ų64.429%0.28732%0.317SS..G310 helixtrans-67.8-26.2179.1-75.3174.2-174.7164.50112.8L391 D392 V394 L398 R399L391-K396 HydrophobicContact CD1-CG 4.25Å; L391-K396 HydrophobicContact CG-CD 4.39Å; L391-K396 VanDerWaalsContact O-CB 3.29Å; L391-K396 WeakPolarHBondContact O-CB 3.38Å; L391-K396 WeakPolarHBondContact O-CG 3.37Å; L391-K396 PolarHBondContact O-N 3.42Å; D392-K396 IonicContact OD1-NZ 3.8Å; D392-K396 PolarHBondContact OD1-NZ 2.74Å; V394-K396 PolarHBondContact O-N 3Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-R399 WeakPolarHBondContact O-CB 3.41Å; K396-R399 VanDerWaalsContact O-CG 3.29Å; K396-R399 WeakPolarHBondContact O-CG 3.15Å; K396-R399 PolarHBondContact O-N 3.42Å
397R93.8Very high92.1Very high41 Ų4164.2 Ų64.216%0.15532%0.316CS..G310 helixtrans-76.7-19.8179.5-53.5-57173.6143.31.5112.3W134 D138 D392 Y393 V394 Y395 F400W134-R397 HydrophobicContact CH2-CB 4.14Å; W134-R397 HydrophobicContact CH2-CG 4.04Å; W134-R397 HydrophobicContact CZ2-CB 3.91Å; W134-R397 HydrophobicContact CZ2-CG 3.76Å; D138-R397 VanDerWaalsContact CG-NH1 3.34Å; D138-R397 IonicContact OD1-CZ 3.65Å; D138-R397 IonicContact OD1-NH1 2.91Å; D138-R397 PolarHBondContact OD1-NH1 3.04Å; D138-R397 IonicContact OD1-NH2 2.61Å; D138-R397 IonicContact OD2-CZ 3.92Å; D138-R397 VanDerWaalsContact OD2-CZ 3.27Å; D138-R397 IonicContact OD2-NH1 2.61Å; D138-R397 PolarHBondContact OD2-NH1 2.86Å; D138-R397 IonicContact OD2-NH2 3.58Å; D138-R397 PolarHBondContact OD2-NH2 2.89Å; D392-R397 PolarHBondContact O-NE 3.49Å; Y393-R397 VanDerWaalsContact C-CG 3.5Å; Y393-R397 VanDerWaalsContact O-CG 3.25Å; Y393-R397 WeakPolarHBondContact O-CG 3.3Å; V394-R397 WeakPolarHBondContact O-CB 3.31Å; V394-R397 PolarHBondContact O-N 3.44Å; Y395-R397 PolarHBondContact O-N 3.44Å; R397-F400 VanDerWaalsContact O-CD1 3.25Å; R397-F400 WeakPolarHBondContact O-CD1 3.31Å; R397-F400 WeakPolarHBondContact O-CE1 3.36Å
398L91.9Very high92.1Very high30 Ų3064.2 Ų64.216%0.15732%0.315CS..G310 helixtrans-89.97.2175.5-64.5168.6000113.8V394 Y395 K396 F400 L401 S407 I410V394-L398 HydrophobicContact CG1-CD1 3.88Å; V394-L398 WeakPolarHBondContact O-CG 3.44Å; V394-L398 PolarHBondContact O-N 2.86Å; V394-L398 VanDerWaalsContact O-N 3.09Å; Y395-L398 PolarHBondContact O-N 3.16Å; K396-L398 VanDerWaalsContact C-N 3.29Å; L398-F400 HydrophobicContact CD2-CE1 4.36Å; L398-F400 PolarHBondContact O-N 2.98Å; L398-L401 HydrophobicContact CB-CD1 4.16Å; L398-L401 HydrophobicContact CD2-CD1 4.13Å; L398-L401 WeakPolarHBondContact O-CB 3.36Å; L398-L401 WeakPolarHBondContact O-CG 3.47Å; L398-L401 PolarHBondContact O-N 3.48Å; L398-L401 VanDerWaalsContact O-N 3.16Å; L398-S407 PolarHBondContact O-OG 2.87Å; L398-I410 HydrophobicContact CD1-CB 3.69Å; L398-I410 HydrophobicContact CD1-CD1 4.2Å; L398-I410 HydrophobicContact CD1-CG2 3.48Å; L398-I410 VanDerWaalsContact CD1-CG2 3.48Å; L398-I410 HydrophobicContact CD2-CD1 4.39Å
399R84.8Confident92.2Very high163 Ų16362.3 Ų62.362%0.61531%0.31SS*.G310 helixtrans-63.5-24.4-178.9-78.2-179.6176.2-159.4-0.5114.4K396 L401 G402K396-R399 WeakPolarHBondContact O-CB 3.41Å; K396-R399 VanDerWaalsContact O-CG 3.29Å; K396-R399 WeakPolarHBondContact O-CG 3.15Å; K396-R399 PolarHBondContact O-N 3.42Å; R399-L401 PolarHBondContact O-N 2.94Å; R399-G402 PolarHBondContact O-N 3.31Å
400F87.5Confident92.3Very high162 Ų16264.4 Ų64.471%0.71132%0.321SS*.G310 helixtrans-62.7-19.6176.872.4-90.1000112.5R397 L398 G402R397-F400 VanDerWaalsContact O-CD1 3.25Å; R397-F400 WeakPolarHBondContact O-CD1 3.31Å; R397-F400 WeakPolarHBondContact O-CE1 3.36Å; L398-F400 HydrophobicContact CD2-CE1 4.36Å; L398-F400 PolarHBondContact O-N 2.98Å; F400-G402 PolarHBondContact O-N 2.94Å
401L88.4Confident92.3Very high66 Ų6663.9 Ų63.935%0.34632%0.319SS..G310 helixtrans-69.3-11.9174-61.3175.5000113L398 R399 N403 L406 I410L398-L401 HydrophobicContact CB-CD1 4.16Å; L398-L401 HydrophobicContact CD2-CD1 4.13Å; L398-L401 WeakPolarHBondContact O-CB 3.36Å; L398-L401 WeakPolarHBondContact O-CG 3.47Å; L398-L401 PolarHBondContact O-N 3.48Å; L398-L401 VanDerWaalsContact O-N 3.16Å; R399-L401 PolarHBondContact O-N 2.94Å; L401-N403 PolarHBondContact O-N 3Å; L401-L406 HydrophobicContact CB-CD2 4.3Å; L401-L406 HydrophobicContact CD1-CD2 3.86Å; L401-L406 HydrophobicContact CD1-CG 4.05Å; L401-I410 HydrophobicContact CD1-CD1 3.8Å
402G89Confident92.4Very high75 Ų7561.4 Ų61.477%0.77331%0.306SS*.SBendtrans69.8-6.4179.100000115.4R399 F400R399-G402 PolarHBondContact O-N 3.31Å; F400-G402 PolarHBondContact O-N 2.94Å
403N91.2Very high92.5Very high78 Ų7865 Ų6542%0.41732%0.324SS..  trans-119.3111.4-175.2-173.7-21.5000112.2L401 N405 L406 S407L401-N403 PolarHBondContact O-N 3Å; N403-N405 VanDerWaalsContact C-N 3.33Å; N403-N405 PolarHBondContact O-N 3.14Å; N403-N405 WeakPolarHBondContact OD1-CB 3.44Å; N403-N405 PolarHBondContact OD1-N 2.85Å; N403-L406 HydrophobicContact CB-CB 3.86Å; N403-L406 PolarHBondContact O-N 3.01Å; N403-L406 PolarHBondContact OD1-N 2.75Å; N403-S407 PolarHBondContact O-N 3.2Å; N403-S407 PolarHBondContact O-OG 3.18Å
404K88.9Confident92.6Very high157 Ų15765.4 Ų65.468%0.68333%0.326SS*.Hα-helixtrans-62-37.3-179.9-67.1178-176.9169.20113.2S407 Q408K404-S407 PolarHBondContact O-N 2.93Å; K404-Q408 PolarHBondContact O-N 3.08Å
405N88.4Confident92.6Very high102 Ų10265.3 Ų65.355%0.54533%0.326SS..Hα-helixtrans-69.7-38.7-179.8-66.4-11.4000110.2N403 Q408 L409N403-N405 VanDerWaalsContact C-N 3.33Å; N403-N405 PolarHBondContact O-N 3.14Å; N403-N405 WeakPolarHBondContact OD1-CB 3.44Å; N403-N405 PolarHBondContact OD1-N 2.85Å; N405-Q408 PolarHBondContact O-N 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.45Å; N405-L409 PolarHBondContact O-N 3.38Å
406L92.3Very high92.7Very high67 Ų6762.7 Ų62.735%0.35132%0.316SS..Hα-helixtrans-65.5-43.9174.9-174.358.2000111.5L401 N403 Q408 L409 I410L401-L406 HydrophobicContact CB-CD2 4.3Å; L401-L406 HydrophobicContact CD1-CD2 3.86Å; L401-L406 HydrophobicContact CD1-CG 4.05Å; N403-L406 HydrophobicContact CB-CB 3.86Å; N403-L406 PolarHBondContact O-N 3.01Å; N403-L406 PolarHBondContact OD1-N 2.75Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.17Å; L406-L409 HydrophobicContact CD1-CD2 4.28Å; L406-L409 PolarHBondContact O-N 3.45Å; L406-I410 HydrophobicContact CD1-CD1 4.07Å; L406-I410 HydrophobicContact CD1-CG1 4.31Å; L406-I410 HydrophobicContact CG-CD1 3.99Å; L406-I410 WeakPolarHBondContact O-CG1 3.41Å; L406-I410 PolarHBondContact O-N 2.93Å
407S94.1Very high92.9Very high3 Ų362.2 Ų62.22%0.02132%0.316CS..Hα-helixtrans-59.8-38.9173.9-53.40000112.1L398 N403 K404 S411L398-S407 PolarHBondContact O-OG 2.87Å; N403-S407 PolarHBondContact O-N 3.2Å; N403-S407 PolarHBondContact O-OG 3.18Å; K404-S407 PolarHBondContact O-N 2.93Å; S407-S411 WeakPolarHBondContact O-CB 3.33Å; S407-S411 PolarHBondContact O-N 3.26Å; S407-S411 VanDerWaalsContact O-N 3.09Å; S407-S411 PolarHBondContact O-OG 3.49Å
408Q92.5Very high93Very high33 Ų3361.4 Ų61.415%0.15431%0.313CS..Hα-helixtrans-68.2-46.1176.8-173.2175.4-10.100111.8Y395 K404 N405 L406 I410 S411 L412 L433 V436Y395-Q408 HydrophobicContact CE2-CB 4.13Å; K404-Q408 PolarHBondContact O-N 3.08Å; N405-Q408 PolarHBondContact O-N 3.31Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.17Å; Q408-I410 PolarHBondContact O-N 3.32Å; Q408-S411 WeakPolarHBondContact O-CB 3.47Å; Q408-S411 PolarHBondContact O-N 2.78Å; Q408-S411 VanDerWaalsContact O-N 3.16Å; Q408-L412 HydrophobicContact CG-CD1 4.32Å; Q408-L412 PolarHBondContact O-N 3.36Å; Q408-L433 HydrophobicContact CG-CD1 4.04Å; Q408-V436 VanDerWaalsContact NE2-CG1 3.33Å
409L95.4Very high93.1Very high79 Ų7962.2 Ų62.241%0.41432%0.316SS..Hα-helixtrans-57.5-48.4177.6175136.6000111.4N405 L406 S411 L412 L413 L433N405-L409 WeakPolarHBondContact O-CB 3.45Å; N405-L409 PolarHBondContact O-N 3.38Å; L406-L409 HydrophobicContact CD1-CD2 4.28Å; L406-L409 PolarHBondContact O-N 3.45Å; L409-S411 VanDerWaalsContact C-N 3.31Å; L409-S411 PolarHBondContact O-N 3.08Å; L409-L412 PolarHBondContact O-N 3.27Å; L409-L413 WeakPolarHBondContact O-CB 3.38Å; L409-L413 PolarHBondContact O-N 2.87Å; L409-L433 HydrophobicContact CB-CD2 4.12Å; L409-L433 HydrophobicContact CD1-CD2 3.82Å; L409-L433 HydrophobicContact CG-CD2 4.23Å
410I96.3Very high93.5Very high55 Ų5554.5 Ų54.528%0.28229%0.287SS..Hα-helixtrans-64.6-37.2178-63.6167000111L398 L401 L406 Q408 L413 F414L398-I410 HydrophobicContact CD1-CB 3.69Å; L398-I410 HydrophobicContact CD1-CD1 4.2Å; L398-I410 HydrophobicContact CD1-CG2 3.48Å; L398-I410 VanDerWaalsContact CD1-CG2 3.48Å; L398-I410 HydrophobicContact CD2-CD1 4.39Å; L401-I410 HydrophobicContact CD1-CD1 3.8Å; L406-I410 HydrophobicContact CD1-CD1 4.07Å; L406-I410 HydrophobicContact CD1-CG1 4.31Å; L406-I410 HydrophobicContact CG-CD1 3.99Å; L406-I410 WeakPolarHBondContact O-CG1 3.41Å; L406-I410 PolarHBondContact O-N 2.93Å; Q408-I410 PolarHBondContact O-N 3.32Å; I410-L413 PolarHBondContact O-N 3.17Å; I410-F414 WeakPolarHBondContact O-CB 3.5Å; I410-F414 PolarHBondContact O-N 3.46Å
411S96.3Very high93.7Very high4 Ų449.4 Ų49.43%0.02827%0.27CS..Hα-helixtrans-65.3-40.3178.1-58.60000112.2Y395 S407 Q408 L409 F414 L415Y395-S411 WeakPolarHBondContact CA-OG 3.34Å; S407-S411 WeakPolarHBondContact O-CB 3.33Å; S407-S411 PolarHBondContact O-N 3.26Å; S407-S411 VanDerWaalsContact O-N 3.09Å; S407-S411 PolarHBondContact O-OG 3.49Å; Q408-S411 WeakPolarHBondContact O-CB 3.47Å; Q408-S411 PolarHBondContact O-N 2.78Å; Q408-S411 VanDerWaalsContact O-N 3.16Å; L409-S411 VanDerWaalsContact C-N 3.31Å; L409-S411 PolarHBondContact O-N 3.08Å; S411-F414 WeakPolarHBondContact O-CB 3.07Å; S411-F414 PolarHBondContact O-N 3.22Å; S411-L415 PolarHBondContact O-N 2.9Å; S411-L415 VanDerWaalsContact O-N 3.16Å
412L96.3Very high94Very high12 Ų1248.4 Ų48.46%0.06326%0.261CS..Hα-helixtrans-73.9-34.8176.5-69.3178.9000112.2Q408 L409 F414 L415 A416 F429 E432 L433Q408-L412 HydrophobicContact CG-CD1 4.32Å; Q408-L412 PolarHBondContact O-N 3.36Å; L409-L412 PolarHBondContact O-N 3.27Å; L412-F414 VanDerWaalsContact C-N 3.32Å; L412-L415 HydrophobicContact CD2-CD1 4.18Å; L412-L415 PolarHBondContact O-N 2.98Å; L412-A416 PolarHBondContact O-N 3.23Å; L412-F429 HydrophobicContact CB-CB 4.38Å; L412-F429 HydrophobicContact CD2-CD1 4.22Å; L412-E432 HydrophobicContact CD1-CG 4.49Å; L412-E432 HydrophobicContact CD2-CG 4.47Å; L412-E432 WeakPolarHBondContact CD2-OE1 3.38Å; L412-L433 HydrophobicContact CD1-CB 3.64Å; L412-L433 HydrophobicContact CD1-CD1 4.03Å; L412-L433 HydrophobicContact CD1-CG 4.38Å
413L96.6Very high94.3Very high90 Ų9046.7 Ų46.747%0.47124%0.238SC..Hα-helixtrans-63.6-39.9172-17762.2000111.4L409 I410 L415 A416 L417 Y426L409-L413 WeakPolarHBondContact O-CB 3.38Å; L409-L413 PolarHBondContact O-N 2.87Å; I410-L413 PolarHBondContact O-N 3.17Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L413-L415 PolarHBondContact O-N 3.35Å; L413-A416 PolarHBondContact O-N 3.38Å; L413-L417 WeakPolarHBondContact O-CB 3.43Å; L413-L417 PolarHBondContact O-N 3.04Å; L413-Y426 HydrophobicContact CD1-CD1 4.03Å; L413-Y426 HydrophobicContact CD1-CE1 3.86Å
414F97.2Very high94.6Very high22 Ų2243 Ų4310%0.09622%0.218CC..Hα-helixtrans-57.5-46171.4172.7-86.1000111F95 M99 L127 W389 L390 V394 I410 S411 L412 A416 L417 W418F95-F414 HydrophobicContact CD1-CE2 4.18Å; F95-F414 HydrophobicContact CE1-CE2 4Å; M99-F414 HydrophobicContact CE-CD2 4.45Å; M99-F414 HydrophobicContact CE-CE2 4.42Å; M99-F414 HydrophobicContact SD-CE2 3.99Å; M99-F414 HydrophobicContact SD-CZ 4.45Å; L127-F414 HydrophobicContact CD2-CE1 3.92Å; L127-F414 HydrophobicContact CD2-CZ 3.73Å; W389-F414 HydrophobicContact CE3-CE1 4.43Å; W389-F414 HydrophobicContact CH2-CE1 4.09Å; W389-F414 HydrophobicContact CH2-CE2 4.39Å; W389-F414 AromaticContact CH2-CZ 3.63Å; W389-F414 HydrophobicContact CH2-CZ 3.63Å; W389-F414 HydrophobicContact CZ3-CD1 4.41Å; W389-F414 AromaticContact CZ3-CE1 3.49Å; W389-F414 HydrophobicContact CZ3-CE1 3.49Å; W389-F414 VanDerWaalsContact CZ3-CE1 3.49Å; W389-F414 AromaticContact CZ3-CZ 3.55Å; W389-F414 HydrophobicContact CZ3-CZ 3.55Å; L390-F414 HydrophobicContact CD1-CD1 3.56Å; L390-F414 HydrophobicContact CD1-CE1 4.16Å; L390-F414 HydrophobicContact CD1-CG 4.34Å; V394-F414 HydrophobicContact CG2-CD1 4.44Å; V394-F414 HydrophobicContact CG2-CG 4.43Å; I410-F414 WeakPolarHBondContact O-CB 3.5Å; I410-F414 PolarHBondContact O-N 3.46Å; S411-F414 WeakPolarHBondContact O-CB 3.07Å; S411-F414 PolarHBondContact O-N 3.22Å; L412-F414 VanDerWaalsContact C-N 3.32Å; F414-A416 PolarHBondContact O-N 3.36Å; F414-L417 PolarHBondContact O-N 2.81Å; F414-W418 HydrophobicContact CE1-CB 4.42Å; F414-W418 VanDerWaalsContact O-CB 3.24Å; F414-W418 WeakPolarHBondContact O-CB 3.47Å; F414-W418 PolarHBondContact O-N 3.46Å
415L96.9Very high94.9Very high9 Ų936.2 Ų36.25%0.04719%0.188CC..Hα-helixtrans-62.4-42.3176.2-71.8-176.1000112.3T386 L390 S411 L412 L413 W418 H419 F429T386-L415 HydrophobicContact CG2-CD2 4.44Å; L390-L415 HydrophobicContact CD1-CD2 4.26Å; L390-L415 HydrophobicContact CD1-CG 4.26Å; L390-L415 HydrophobicContact CD2-CD1 3.74Å; L390-L415 HydrophobicContact CD2-CD2 4.19Å; L390-L415 HydrophobicContact CD2-CG 3.82Å; S411-L415 PolarHBondContact O-N 2.9Å; S411-L415 VanDerWaalsContact O-N 3.16Å; L412-L415 HydrophobicContact CD2-CD1 4.18Å; L412-L415 PolarHBondContact O-N 2.98Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L413-L415 PolarHBondContact O-N 3.35Å; L415-W418 HydrophobicContact CD2-CE3 4.29Å; L415-W418 PolarHBondContact O-N 3.49Å; L415-H419 PolarHBondContact O-N 2.89Å; L415-H419 PolarHBondContact O-ND1 3.2Å; L415-F429 HydrophobicContact CB-CD1 4.06Å; L415-F429 HydrophobicContact CB-CD2 4.39Å; L415-F429 HydrophobicContact CB-CE1 3.72Å; L415-F429 HydrophobicContact CB-CE2 4.08Å; L415-F429 HydrophobicContact CB-CG 4.39Å; L415-F429 HydrophobicContact CB-CZ 3.74Å; L415-F429 HydrophobicContact CD1-CD1 4.24Å; L415-F429 HydrophobicContact CD1-CE1 3.74Å; L415-F429 HydrophobicContact CD1-CZ 4.38Å; L415-F429 HydrophobicContact CG-CE1 4.4Å
416A97.1Very high95.4Very high2 Ų235.1 Ų35.12%0.01718%0.177CC..Hα-helixtrans-58.7-50.8176.900000111.3L412 L413 F414 W418 H419 G420 Y426 F429L412-A416 PolarHBondContact O-N 3.23Å; L413-A416 PolarHBondContact O-N 3.38Å; F414-A416 PolarHBondContact O-N 3.36Å; A416-W418 VanDerWaalsContact C-N 3.26Å; A416-W418 PolarHBondContact O-N 3.42Å; A416-H419 PolarHBondContact O-N 3.2Å; A416-G420 PolarHBondContact O-N 3.34Å; A416-Y426 HydrophobicContact CB-CD1 3.97Å; A416-Y426 HydrophobicContact CB-CE1 4.13Å; A416-Y426 HydrophobicContact CB-CG 4.23Å; A416-F429 HydrophobicContact CB-CB 4.29Å; A416-F429 HydrophobicContact CB-CD2 3.59Å; A416-F429 HydrophobicContact CB-CE2 4.38Å; A416-F429 HydrophobicContact CB-CG 4.29Å
417L96.4Very high95.6Very high57 Ų5733.4 Ų33.430%0.29817%0.168SC..Hα-helixtrans-64.2-32.7179.2-171.364.5000111.7M99 V103 L413 F414 H419 G420 Y426M99-L417 HydrophobicContact CE-CB 3.42Å; M99-L417 VanDerWaalsContact CE-CB 3.42Å; M99-L417 HydrophobicContact CE-CD2 3.73Å; M99-L417 HydrophobicContact CE-CG 3.37Å; M99-L417 HydrophobicContact CG-CD2 4.06Å; M99-L417 HydrophobicContact CG-CG 4.4Å; V103-L417 HydrophobicContact CG1-CD1 4.42Å; V103-L417 HydrophobicContact CG2-CD1 3.59Å; V103-L417 HydrophobicContact CG2-CD2 4.5Å; V103-L417 HydrophobicContact CG2-CG 3.73Å; L413-L417 WeakPolarHBondContact O-CB 3.43Å; L413-L417 PolarHBondContact O-N 3.04Å; F414-L417 PolarHBondContact O-N 2.81Å; L417-H419 PolarHBondContact O-N 2.97Å; L417-G420 PolarHBondContact O-N 3.36Å; L417-G420 VanDerWaalsContact O-N 3.15Å; L417-Y426 VanDerWaalsContact CD1-OH 3.27Å; L417-Y426 WeakPolarHBondContact CD1-OH 3.42Å
418W96.4Very high95.7Very high24 Ų2433.7 Ų33.79%0.09117%0.17CC..Hα-helixtrans-68.3-26.9-179.4176.765.8000111.9M99 L102 C123 L127 T386 F414 L415 A416M99-W418 HydrophobicContact CE-CB 3.79Å; M99-W418 HydrophobicContact SD-CB 4.46Å; L102-W418 HydrophobicContact CD2-CG 4.43Å; L102-W418 WeakPolarHBondContact CD2-O 3.48Å; C123-W418 HydrophobicContact CB-CZ2 3.67Å; C123-W418 PolarHBondContact O-NE1 2.82Å; L127-W418 HydrophobicContact CD1-CH2 4.26Å; L127-W418 HydrophobicContact CD1-CZ2 3.64Å; L127-W418 HydrophobicContact CG-CZ2 4.08Å; T386-W418 HydrophobicContact CG2-CH2 4.19Å; T386-W418 HydrophobicContact CG2-CZ3 4.19Å; F414-W418 HydrophobicContact CE1-CB 4.42Å; F414-W418 VanDerWaalsContact O-CB 3.24Å; F414-W418 WeakPolarHBondContact O-CB 3.47Å; F414-W418 PolarHBondContact O-N 3.46Å; L415-W418 HydrophobicContact CD2-CE3 4.29Å; L415-W418 PolarHBondContact O-N 3.49Å; A416-W418 VanDerWaalsContact C-N 3.26Å; A416-W418 PolarHBondContact O-N 3.42Å
419H93.1Very high95.9Very high46 Ų4633 Ų3321%0.21317%0.166CC..Hα-helixtrans-83.9-28.4171.8-68.286.8000112.7L415 A416 L417 Y425 F429 F484L415-H419 PolarHBondContact O-N 2.89Å; L415-H419 PolarHBondContact O-ND1 3.2Å; A416-H419 PolarHBondContact O-N 3.2Å; L417-H419 PolarHBondContact O-N 2.97Å; H419-Y425 VanDerWaalsContact C-CE2 3.43Å; H419-Y425 HydrophobicContact CB-CD1 3.85Å; H419-Y425 HydrophobicContact CB-CD2 3.75Å; H419-Y425 HydrophobicContact CB-CE1 3.91Å; H419-Y425 HydrophobicContact CB-CE2 3.8Å; H419-Y425 HydrophobicContact CB-CG 3.76Å; H419-Y425 WeakPolarHBondContact O-CE2 3.33Å; H419-F429 AromaticContact CE1-CZ 3.63Å; H419-F429 AromaticContact ND1-CE2 3.6Å; H419-F429 AromaticContact ND1-CZ 3.71Å; H419-F484 AromaticContact CD2-CE2 3.83Å; H419-F484 AromaticContact CD2-CZ 3.4Å; H419-F484 WeakPolarHBondContact CD2-CZ 3.3Å; H419-F484 AromaticContact NE2-CZ 3.7Å
420G92.8Very high96Very high1 Ų131 Ų311%0.0117%0.165CC..  trans143.5-159.4171.500000114.3A416 L417 Y426A416-G420 PolarHBondContact O-N 3.34Å; L417-G420 PolarHBondContact O-N 3.36Å; L417-G420 VanDerWaalsContact O-N 3.15Å; G420-Y426 WeakPolarHBondContact O-CE2 3.46Å; G420-Y426 PolarHBondContact O-OH 3.36Å
421T92.5Very high95.9Very high56 Ų5628.7 Ų28.734%0.34415%0.153SC..SBendtrans-100.8-3.9-173.554.50000114.1V103 S423V103-T421 HydrophobicContact CG1-CG2 3.66Å; T421-S423 PolarHBondContact O-N 3.41Å
422Y94.5Very high95.8Very high44 Ų4431.1 Ų31.117%0.17316%0.164CC..  trans-68131.1178.3-73.3-59.3000112.2N110 G112 G424 Y425 Y426 L487 K488N110-Y422 HydrophobicContact CB-CE2 3.94Å; N110-Y422 PolarHBondContact O-OH 3.35Å; G112-Y422 WeakPolarHBondContact CA-OH 3.39Å; G112-Y422 PolarHBondContact N-OH 3.25Å; Y422-G424 PolarHBondContact O-N 3.3Å; Y422-Y425 HydrophobicContact CD2-CE2 4.39Å; Y422-Y425 PolarHBondContact O-N 2.62Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.13Å; Y422-L487 HydrophobicContact CD1-CB 4.35Å; Y422-L487 HydrophobicContact CD2-CB 4.07Å; Y422-L487 HydrophobicContact CD2-CD1 4.09Å; Y422-L487 HydrophobicContact CD2-CD2 4.22Å; Y422-L487 HydrophobicContact CD2-CG 4.37Å; Y422-L487 HydrophobicContact CE2-CD1 4.36Å; Y422-L487 HydrophobicContact CG-CB 3.84Å; Y422-L487 HydrophobicContact CG-CD2 4.5Å; Y422-K488 HydrophobicContact CE1-CG 4.49Å
423S96.1Very high95.7Very high40 Ų4032.3 Ų32.328%0.2817%0.17SC..Hα-helixtrans-50-31.4-179.559.20000114.8T421 Y425 Y426 L427 L487 F489 W492T421-S423 PolarHBondContact O-N 3.41Å; S423-Y425 VanDerWaalsContact C-N 3.3Å; S423-Y425 PolarHBondContact O-N 3.24Å; S423-Y426 PolarHBondContact O-N 3.45Å; S423-L427 PolarHBondContact O-N 3.11Å; S423-L487 PolarHBondContact OG-O 3.46Å; S423-F489 PolarHBondContact OG-N 3.38Å; S423-F489 VanDerWaalsContact OG-N 3.15Å; S423-W492 PolarHBondContact OG-NE1 3.21Å
424G96.1Very high95.7Very high0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-60.1-36178.900000113.7Y422 L427 N428 A483 L487Y422-G424 PolarHBondContact O-N 3.3Å; G424-L427 PolarHBondContact O-N 3.5Å; G424-N428 WeakPolarHBondContact O-CB 3.48Å; G424-N428 PolarHBondContact O-N 3.4Å; G424-A483 WeakPolarHBondContact CA-O 3.45Å; G424-L487 PolarHBondContact N-O 3.42Å
425Y96.1Very high95.5Very high14 Ų1429.3 Ų29.36%0.05516%0.155CC..Hα-helixtrans-65.3-45.4175.3-60-42.6000111.4H419 Y422 S423 L427 N428 F429 F484 L487H419-Y425 VanDerWaalsContact C-CE2 3.43Å; H419-Y425 HydrophobicContact CB-CD1 3.85Å; H419-Y425 HydrophobicContact CB-CD2 3.75Å; H419-Y425 HydrophobicContact CB-CE1 3.91Å; H419-Y425 HydrophobicContact CB-CE2 3.8Å; H419-Y425 HydrophobicContact CB-CG 3.76Å; H419-Y425 WeakPolarHBondContact O-CE2 3.33Å; Y422-Y425 HydrophobicContact CD2-CE2 4.39Å; Y422-Y425 PolarHBondContact O-N 2.62Å; S423-Y425 VanDerWaalsContact C-N 3.3Å; S423-Y425 PolarHBondContact O-N 3.24Å; Y425-L427 VanDerWaalsContact C-N 3.34Å; Y425-L427 PolarHBondContact O-N 2.66Å; Y425-N428 WeakPolarHBondContact O-CB 3.44Å; Y425-N428 PolarHBondContact O-N 2.83Å; Y425-F429 WeakPolarHBondContact O-CD2 3.3Å; Y425-F429 PolarHBondContact O-N 2.88Å; Y425-F484 HydrophobicContact CD1-CD1 4.4Å; Y425-F484 AromaticContact CD1-CD2 3.56Å; Y425-F484 HydrophobicContact CD1-CD2 3.56Å; Y425-F484 HydrophobicContact CD1-CE1 4.36Å; Y425-F484 AromaticContact CD1-CE2 3.52Å; Y425-F484 HydrophobicContact CD1-CE2 3.52Å; Y425-F484 HydrophobicContact CD1-CG 4.02Å; Y425-F484 AromaticContact CD1-CZ 3.95Å; Y425-F484 HydrophobicContact CD1-CZ 3.95Å; Y425-F484 HydrophobicContact CE1-CD1 4.09Å; Y425-F484 HydrophobicContact CE1-CD2 4.04Å; Y425-F484 AromaticContact CE1-CE1 3.86Å; Y425-F484 HydrophobicContact CE1-CE1 3.86Å; Y425-F484 AromaticContact CE1-CE2 3.8Å; Y425-F484 HydrophobicContact CE1-CE2 3.8Å; Y425-F484 HydrophobicContact CE1-CG 4.18Å; Y425-F484 AromaticContact CE1-CZ 3.71Å; Y425-F484 HydrophobicContact CE1-CZ 3.71Å; Y425-L487 HydrophobicContact CD1-CD2 4.2Å; Y425-L487 HydrophobicContact CE1-CD2 3.44Å; Y425-L487 VanDerWaalsContact CE1-CD2 3.44Å; Y425-L487 HydrophobicContact CE2-CD2 3.87Å; Y425-L487 WeakPolarHBondContact OH-CD2 3.4Å
426Y97.9Very high95.4Very high79 Ų7929 Ų2931%0.3115%0.154SC..Hα-helixtrans-64.6-39.7178.8-63.2-96.8000111.5L413 A416 L417 G420 Y422 S423 G430L413-Y426 HydrophobicContact CD1-CD1 4.03Å; L413-Y426 HydrophobicContact CD1-CE1 3.86Å; A416-Y426 HydrophobicContact CB-CD1 3.97Å; A416-Y426 HydrophobicContact CB-CE1 4.13Å; A416-Y426 HydrophobicContact CB-CG 4.23Å; L417-Y426 VanDerWaalsContact CD1-OH 3.27Å; L417-Y426 WeakPolarHBondContact CD1-OH 3.42Å; G420-Y426 WeakPolarHBondContact O-CE2 3.46Å; G420-Y426 PolarHBondContact O-OH 3.36Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.13Å; S423-Y426 PolarHBondContact O-N 3.45Å; Y426-G430 WeakPolarHBondContact O-CA 3.33Å; Y426-G430 PolarHBondContact O-N 3.47Å
427L97.3Very high95.1Very high32 Ų3231.9 Ų31.917%0.16817%0.171CC..Hα-helixtrans-64.6-45174-178.760.1000111.5S423 G424 Y425 G430 I431 A483 W492 L496 L504S423-L427 PolarHBondContact O-N 3.11Å; G424-L427 PolarHBondContact O-N 3.5Å; Y425-L427 VanDerWaalsContact C-N 3.34Å; Y425-L427 PolarHBondContact O-N 2.66Å; L427-G430 PolarHBondContact O-N 3.29Å; L427-I431 HydrophobicContact CD1-CD1 3.89Å; L427-I431 HydrophobicContact CD1-CG1 4.01Å; L427-I431 HydrophobicContact CG-CD1 3.93Å; L427-I431 HydrophobicContact CG-CG1 4.42Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.42Å; L427-I431 PolarHBondContact O-N 3.11Å; L427-A483 HydrophobicContact CB-CB 4.12Å; L427-A483 HydrophobicContact CD2-CB 3.69Å; L427-A483 HydrophobicContact CG-CB 4.01Å; L427-W492 HydrophobicContact CD2-CD2 3.81Å; L427-W492 HydrophobicContact CD2-CE3 3.35Å; L427-W492 HydrophobicContact CD2-CH2 3.77Å; L427-W492 HydrophobicContact CD2-CZ2 4.1Å; L427-W492 HydrophobicContact CD2-CZ3 3.39Å; L427-L496 HydrophobicContact CD2-CD1 3.68Å; L427-L504 HydrophobicContact CD1-CD2 4.39Å
428N96.5Very high95.1Very high9 Ų929.7 Ų29.75%0.04816%0.16CC..Hα-helixtrans-55.3-55.3177.2170.985.8000112.1G424 Y425 G430 I431 E432 P480 M481 F484G424-N428 WeakPolarHBondContact O-CB 3.48Å; G424-N428 PolarHBondContact O-N 3.4Å; Y425-N428 WeakPolarHBondContact O-CB 3.44Å; Y425-N428 PolarHBondContact O-N 2.83Å; N428-G430 VanDerWaalsContact C-N 3.32Å; N428-G430 PolarHBondContact O-N 2.9Å; N428-I431 PolarHBondContact O-N 3.43Å; N428-E432 PolarHBondContact O-N 2.8Å; N428-P480 HydrophobicContact CB-CB 4.24Å; N428-P480 WeakPolarHBondContact OD1-CB 3.29Å; N428-P480 PolarHBondContact OD1-O 3.14Å; N428-M481 WeakPolarHBondContact OD1-CE 3.4Å; N428-F484 HydrophobicContact CB-CB 4.05Å; N428-F484 HydrophobicContact CB-CD2 3.99Å
429F96.5Very high95Very high17 Ų1729.3 Ų29.38%0.07516%0.16CC..Hα-helixtrans-73.1-25.9-178.1-68.5-66.7000112.8L412 L415 A416 H419 Y425 E432 L433 F484L412-F429 HydrophobicContact CB-CB 4.38Å; L412-F429 HydrophobicContact CD2-CD1 4.22Å; L415-F429 HydrophobicContact CB-CD1 4.06Å; L415-F429 HydrophobicContact CB-CD2 4.39Å; L415-F429 HydrophobicContact CB-CE1 3.72Å; L415-F429 HydrophobicContact CB-CE2 4.08Å; L415-F429 HydrophobicContact CB-CG 4.39Å; L415-F429 HydrophobicContact CB-CZ 3.74Å; L415-F429 HydrophobicContact CD1-CD1 4.24Å; L415-F429 HydrophobicContact CD1-CE1 3.74Å; L415-F429 HydrophobicContact CD1-CZ 4.38Å; L415-F429 HydrophobicContact CG-CE1 4.4Å; A416-F429 HydrophobicContact CB-CB 4.29Å; A416-F429 HydrophobicContact CB-CD2 3.59Å; A416-F429 HydrophobicContact CB-CE2 4.38Å; A416-F429 HydrophobicContact CB-CG 4.29Å; H419-F429 AromaticContact CE1-CZ 3.63Å; H419-F429 AromaticContact ND1-CE2 3.6Å; H419-F429 AromaticContact ND1-CZ 3.71Å; Y425-F429 WeakPolarHBondContact O-CD2 3.3Å; Y425-F429 PolarHBondContact O-N 2.88Å; F429-E432 WeakPolarHBondContact CD1-OE2 3.41Å; F429-E432 WeakPolarHBondContact O-CB 3.29Å; F429-E432 PolarHBondContact O-N 3.05Å; F429-L433 PolarHBondContact O-N 3.2Å; F429-F484 HydrophobicContact CE2-CE2 4.14Å; F429-F484 HydrophobicContact CZ-CE2 4.29Å
430G96Very high94.9Very high39 Ų3931.2 Ų31.240%0.40217%0.168SC..Hα-helixtrans-66.1-44.2170.800000112.4Y426 L427 N428 E432 L433 L434Y426-G430 WeakPolarHBondContact O-CA 3.33Å; Y426-G430 PolarHBondContact O-N 3.47Å; L427-G430 PolarHBondContact O-N 3.29Å; N428-G430 VanDerWaalsContact C-N 3.32Å; N428-G430 PolarHBondContact O-N 2.9Å; G430-E432 VanDerWaalsContact C-N 3.34Å; G430-L433 PolarHBondContact O-N 3.12Å; G430-L434 PolarHBondContact O-N 2.76Å; G430-L434 VanDerWaalsContact O-N 3.07Å
431I95.8Very high95Very high5 Ų533.2 Ų33.23%0.02618%0.178CC..Hα-helixtrans-64.6-40.9173.2-64.4170.7000110.2L427 N428 L433 L434 V435 P480 L504L427-I431 HydrophobicContact CD1-CD1 3.89Å; L427-I431 HydrophobicContact CD1-CG1 4.01Å; L427-I431 HydrophobicContact CG-CD1 3.93Å; L427-I431 HydrophobicContact CG-CG1 4.42Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.42Å; L427-I431 PolarHBondContact O-N 3.11Å; N428-I431 PolarHBondContact O-N 3.43Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 2.84Å; I431-L434 PolarHBondContact O-N 2.95Å; I431-V435 HydrophobicContact CG2-CG2 3.83Å; I431-V435 WeakPolarHBondContact O-CB 3.19Å; I431-V435 VanDerWaalsContact O-CG2 3.3Å; I431-V435 WeakPolarHBondContact O-CG2 3.42Å; I431-V435 PolarHBondContact O-N 3.04Å; I431-P480 HydrophobicContact CB-CG 3.92Å; I431-P480 HydrophobicContact CD1-CG 4.12Å; I431-P480 HydrophobicContact CG2-CG 3.6Å; I431-L504 HydrophobicContact CD1-CD2 3.72Å; I431-L504 HydrophobicContact CG1-CD2 3.52Å
432E94.6Very high95.1Very high55 Ų5534.2 Ų34.226%0.25718%0.177SC..Hα-helixtrans-55.5-48.2174.4-175.3-178.5157.500111.3L412 N428 F429 G430 L434 V435 V436L412-E432 HydrophobicContact CD1-CG 4.49Å; L412-E432 HydrophobicContact CD2-CG 4.47Å; L412-E432 WeakPolarHBondContact CD2-OE1 3.38Å; N428-E432 PolarHBondContact O-N 2.8Å; F429-E432 WeakPolarHBondContact CD1-OE2 3.41Å; F429-E432 WeakPolarHBondContact O-CB 3.29Å; F429-E432 PolarHBondContact O-N 3.05Å; G430-E432 VanDerWaalsContact C-N 3.34Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.06Å; E432-V435 PolarHBondContact O-N 3.26Å; E432-V436 HydrophobicContact CG-CG2 4.16Å; E432-V436 VanDerWaalsContact O-CB 3.27Å; E432-V436 WeakPolarHBondContact O-CB 3.24Å; E432-V436 WeakPolarHBondContact O-CG2 3.25Å; E432-V436 PolarHBondContact O-N 3.24Å
433L94.4Very high95Very high38 Ų3834.6 Ų34.620%0.19918%0.182CC..Hα-helixtrans-58.2-46.8177.1-18061.4000112Q408 L409 L412 F429 G430 I431 T437Q408-L433 HydrophobicContact CG-CD1 4.04Å; L409-L433 HydrophobicContact CB-CD2 4.12Å; L409-L433 HydrophobicContact CD1-CD2 3.82Å; L409-L433 HydrophobicContact CG-CD2 4.23Å; L412-L433 HydrophobicContact CD1-CB 3.64Å; L412-L433 HydrophobicContact CD1-CD1 4.03Å; L412-L433 HydrophobicContact CD1-CG 4.38Å; F429-L433 PolarHBondContact O-N 3.2Å; G430-L433 PolarHBondContact O-N 3.12Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 2.84Å; L433-T437 WeakPolarHBondContact O-CB 3.19Å; L433-T437 PolarHBondContact O-N 3.31Å; L433-T437 PolarHBondContact O-OG1 3.11Å
434L94.8Very high94.8Very high44 Ų4435.4 Ų35.423%0.2319%0.188CC..Hα-helixtrans-61.5-52.8-179.3177.164.8000111G430 I431 E432 T437 V438 V507G430-L434 PolarHBondContact O-N 2.76Å; G430-L434 VanDerWaalsContact O-N 3.07Å; I431-L434 PolarHBondContact O-N 2.95Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.06Å; L434-T437 PolarHBondContact O-N 3.39Å; L434-V438 HydrophobicContact CD1-CG2 4.31Å; L434-V438 WeakPolarHBondContact O-CG2 3.2Å; L434-V438 PolarHBondContact O-N 3.43Å; L434-V507 HydrophobicContact CD1-CG2 4.43Å; L434-V507 HydrophobicContact CD2-CB 4.49Å; L434-V507 HydrophobicContact CD2-CG2 3.51Å
435V94.8Very high94.7Very high4 Ų436.2 Ų36.22%0.02419%0.192CC..Hα-helixtrans-63.4-46.7-178176.90000110.8T375 I431 E432 T437 V438 E439 I476 Y506T375-V435 HydrophobicContact CG2-CG1 3.75Å; I431-V435 HydrophobicContact CG2-CG2 3.83Å; I431-V435 WeakPolarHBondContact O-CB 3.19Å; I431-V435 VanDerWaalsContact O-CG2 3.3Å; I431-V435 WeakPolarHBondContact O-CG2 3.42Å; I431-V435 PolarHBondContact O-N 3.04Å; E432-V435 PolarHBondContact O-N 3.26Å; V435-T437 VanDerWaalsContact C-N 3.26Å; V435-T437 PolarHBondContact O-N 2.82Å; V435-V438 PolarHBondContact O-N 3.02Å; V435-E439 WeakPolarHBondContact O-CB 3.18Å; V435-E439 PolarHBondContact O-N 3.41Å; V435-I476 HydrophobicContact CG1-CB 4.25Å; V435-I476 HydrophobicContact CG1-CD1 3.82Å; V435-I476 HydrophobicContact CG1-CG2 3.85Å; V435-I476 HydrophobicContact CG2-CB 4.49Å; V435-I476 HydrophobicContact CG2-CG2 4.29Å; V435-Y506 HydrophobicContact CG2-CD2 3.63Å; V435-Y506 HydrophobicContact CG2-CE2 3.79Å; V435-Y506 HydrophobicContact CG2-CG 4.19Å
436V93Very high94.6Very high4 Ų436.2 Ų36.22%0.02419%0.193CC..Hα-helixtrans-60.3-38.8179.2171.10000111.2T375 Q408 E432 K440T375-V436 HydrophobicContact CG2-CG2 4.12Å; Q408-V436 VanDerWaalsContact NE2-CG1 3.33Å; E432-V436 HydrophobicContact CG-CG2 4.16Å; E432-V436 VanDerWaalsContact O-CB 3.27Å; E432-V436 WeakPolarHBondContact O-CB 3.24Å; E432-V436 WeakPolarHBondContact O-CG2 3.25Å; E432-V436 PolarHBondContact O-N 3.24Å; V436-K440 HydrophobicContact CG1-CD 3.88Å; V436-K440 VanDerWaalsContact CG1-NZ 3.28Å; V436-K440 VanDerWaalsContact O-CB 3.3Å; V436-K440 WeakPolarHBondContact O-CB 3.49Å; V436-K440 WeakPolarHBondContact O-CD 3.35Å; V436-K440 WeakPolarHBondContact O-CG 3.43Å; V436-K440 PolarHBondContact O-N 3.01Å; V436-K440 VanDerWaalsContact O-N 3.09Å
437T92.4Very high94.2Very high61 Ų6135.7 Ų35.737%0.37419%0.192SC..Hα-helixtrans-67.3-47178.6-58.20000111.3L433 L434 V435 D441L433-T437 WeakPolarHBondContact O-CB 3.19Å; L433-T437 PolarHBondContact O-N 3.31Å; L433-T437 PolarHBondContact O-OG1 3.11Å; L434-T437 PolarHBondContact O-N 3.39Å; V435-T437 VanDerWaalsContact C-N 3.26Å; V435-T437 PolarHBondContact O-N 2.82Å; T437-D441 PolarHBondContact O-N 3.45Å
438V95.2Very high93.9Very high11 Ų1138.6 Ų38.67%0.06721%0.208CC..Hα-helixtrans-67.3-45.1-179.91730000111.5L434 V435 K440 D441 F442 Y506 W509L434-V438 HydrophobicContact CD1-CG2 4.31Å; L434-V438 WeakPolarHBondContact O-CG2 3.2Å; L434-V438 PolarHBondContact O-N 3.43Å; V435-V438 PolarHBondContact O-N 3.02Å; V438-K440 VanDerWaalsContact C-N 3.35Å; V438-K440 PolarHBondContact O-N 3.04Å; V438-D441 PolarHBondContact O-N 2.82Å; V438-F442 WeakPolarHBondContact O-CB 3.37Å; V438-F442 PolarHBondContact O-N 3.05Å; V438-Y506 HydrophobicContact CB-CD1 4.26Å; V438-Y506 HydrophobicContact CG1-CD1 3.86Å; V438-W509 HydrophobicContact CB-CB 4.37Å; V438-W509 HydrophobicContact CB-CG 4.17Å; V438-W509 HydrophobicContact CG1-CB 3.92Å; V438-W509 HydrophobicContact CG1-CD2 3.59Å; V438-W509 HydrophobicContact CG1-CE3 3.83Å; V438-W509 HydrophobicContact CG1-CG 3.62Å; V438-W509 HydrophobicContact CG2-CB 3.52Å; V438-W509 HydrophobicContact CG2-CG 3.67Å
439E94.1Very high93.7Very high16 Ų1638.1 Ų38.18%0.07521%0.206CC..Hα-helixtrans-62-42.4179.1-169.3-170.765.500111.2N374 T375 V435 D441 F442 L443 H472N374-E439 WeakPolarHBondContact CA-OE2 3.29Å; N374-E439 WeakPolarHBondContact CB-OE2 3.35Å; T375-E439 VanDerWaalsContact CB-OE1 3.27Å; T375-E439 WeakPolarHBondContact CB-OE1 3.43Å; T375-E439 WeakPolarHBondContact CG2-OE1 3.47Å; T375-E439 PolarHBondContact N-OE1 3.21Å; T375-E439 PolarHBondContact N-OE2 3.33Å; T375-E439 VanDerWaalsContact N-OE2 3.11Å; T375-E439 PolarHBondContact OG1-OE1 3.32Å; V435-E439 WeakPolarHBondContact O-CB 3.18Å; V435-E439 PolarHBondContact O-N 3.41Å; E439-D441 PolarHBondContact O-N 2.93Å; E439-F442 PolarHBondContact O-N 3.03Å; E439-L443 HydrophobicContact CG-CD1 3.9Å; E439-L443 HydrophobicContact CG-CG 4.21Å; E439-L443 WeakPolarHBondContact O-CB 3.43Å; E439-L443 VanDerWaalsContact O-CG 3.25Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 3.11Å; E439-H472 IonicContact OE2-CD2 3.38Å; E439-H472 PolarHBondContact OE2-CD2 3.4Å; E439-H472 IonicContact OE2-NE2 3.8Å; E439-H472 PolarHBondContact OE2-NE2 3.09Å
440K92.2Very high93.4Very high87 Ų8742.5 Ų42.538%0.37823%0.225SC..Hα-helixtrans-62.4-42.4176.6-78.8173.6179.8165.40112.8D376 V436 V438 S444D376-K440 WeakPolarHBondContact OD1-CE 3.45Å; D376-K440 IonicContact OD1-NZ 2.81Å; V436-K440 HydrophobicContact CG1-CD 3.88Å; V436-K440 VanDerWaalsContact CG1-NZ 3.28Å; V436-K440 VanDerWaalsContact O-CB 3.3Å; V436-K440 WeakPolarHBondContact O-CB 3.49Å; V436-K440 WeakPolarHBondContact O-CD 3.35Å; V436-K440 WeakPolarHBondContact O-CG 3.43Å; V436-K440 PolarHBondContact O-N 3.01Å; V436-K440 VanDerWaalsContact O-N 3.09Å; V438-K440 VanDerWaalsContact C-N 3.35Å; V438-K440 PolarHBondContact O-N 3.04Å; K440-S444 VanDerWaalsContact O-CB 3.25Å; K440-S444 WeakPolarHBondContact O-CB 3.41Å; K440-S444 PolarHBondContact O-N 3.26Å
441D94.2Very high93.2Very high43 Ų4345 Ų4523%0.2322%0.222CC..Hα-helixtrans-67.9-43.9176.8-171.146000110.9T437 V438 E439 S444 I445 W509 R513T437-D441 PolarHBondContact O-N 3.45Å; V438-D441 PolarHBondContact O-N 2.82Å; E439-D441 PolarHBondContact O-N 2.93Å; D441-S444 WeakPolarHBondContact O-CB 3.22Å; D441-S444 PolarHBondContact O-N 3.24Å; D441-I445 WeakPolarHBondContact O-CG1 3.31Å; D441-I445 PolarHBondContact O-N 2.86Å; D441-W509 HydrophobicContact CB-CZ2 4.45Å; D441-W509 PolarHBondContact OD2-NE1 2.89Å; D441-R513 IonicContact OD1-NE 3.75Å; D441-R513 IonicContact OD1-NH2 3.53Å; D441-R513 VanDerWaalsContact OD2-CD 3.29Å; D441-R513 WeakPolarHBondContact OD2-CD 3.36Å; D441-R513 IonicContact OD2-CZ 3.75Å; D441-R513 IonicContact OD2-NE 2.75Å; D441-R513 PolarHBondContact OD2-NE 3.46Å; D441-R513 IonicContact OD2-NH2 3.88Å
442F95.2Very high92.9Very high76 Ų7646.4 Ų46.433%0.33323%0.23SC..Hα-helixtrans-58.9-50.2175.5175.1-95.5000112.3V438 E439 S444 I445 L446 W509 V516 L520V438-F442 WeakPolarHBondContact O-CB 3.37Å; V438-F442 PolarHBondContact O-N 3.05Å; E439-F442 PolarHBondContact O-N 3.03Å; F442-S444 VanDerWaalsContact C-N 3.27Å; F442-S444 PolarHBondContact O-N 2.77Å; F442-I445 PolarHBondContact O-N 3.07Å; F442-L446 HydrophobicContact CE1-CD2 4.34Å; F442-L446 PolarHBondContact O-N 3.28Å; F442-W509 HydrophobicContact CB-CH2 4.08Å; F442-W509 HydrophobicContact CB-CZ2 4.33Å; F442-W509 HydrophobicContact CD2-CH2 4.02Å; F442-W509 HydrophobicContact CD2-CZ3 4.45Å; F442-V516 HydrophobicContact CD2-CG1 4.04Å; F442-V516 HydrophobicContact CE2-CG1 4.1Å; F442-L520 HydrophobicContact CE2-CD1 4.29Å
443L92.5Very high92.6Very high53 Ų5350 Ų5028%0.27725%0.247SC..Hα-helixtrans-64.7-33.2178.8-69.4177.1000111.7N374 E439 K447N374-L443 HydrophobicContact CB-CD1 4.34Å; E439-L443 HydrophobicContact CG-CD1 3.9Å; E439-L443 HydrophobicContact CG-CG 4.21Å; E439-L443 WeakPolarHBondContact O-CB 3.43Å; E439-L443 VanDerWaalsContact O-CG 3.25Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 3.11Å; L443-K447 WeakPolarHBondContact O-CB 3.43Å; L443-K447 PolarHBondContact O-N 3.15Å
444S91.8Very high92.5Very high56 Ų5651.8 Ų51.839%0.39225%0.253SS..Hα-helixtrans-64.8-45.4172.5-176.30000111.9K440 D441 F442 K447 N448K440-S444 VanDerWaalsContact O-CB 3.25Å; K440-S444 WeakPolarHBondContact O-CB 3.41Å; K440-S444 PolarHBondContact O-N 3.26Å; D441-S444 WeakPolarHBondContact O-CB 3.22Å; D441-S444 PolarHBondContact O-N 3.24Å; F442-S444 VanDerWaalsContact C-N 3.27Å; F442-S444 PolarHBondContact O-N 2.77Å; S444-K447 PolarHBondContact O-N 2.96Å; S444-N448 PolarHBondContact O-N 2.88Å; S444-N448 PolarHBondContact O-ND2 3.04Å
445I94.7Very high92.3Very high18 Ų1851.8 Ų51.89%0.09225%0.251CS..Hα-helixtrans-60.6-48.2175.2-66.9163.9000110.1D441 F442 K447 N448 S449 W509 R513 V516 K517 L520D441-I445 WeakPolarHBondContact O-CG1 3.31Å; D441-I445 PolarHBondContact O-N 2.86Å; F442-I445 PolarHBondContact O-N 3.07Å; I445-K447 PolarHBondContact O-N 2.92Å; I445-N448 CarbonylContact O-C 3.51Å; I445-N448 PolarHBondContact O-N 3.37Å; I445-S449 WeakPolarHBondContact O-CB 3.35Å; I445-S449 PolarHBondContact O-N 2.86Å; I445-W509 HydrophobicContact CD1-CH2 4.37Å; I445-W509 HydrophobicContact CD1-CZ2 3.94Å; I445-R513 HydrophobicContact CD1-CG 4.3Å; I445-V516 HydrophobicContact CG2-CG1 4.3Å; I445-K517 HydrophobicContact CD1-CG 4.04Å; I445-K517 HydrophobicContact CG1-CG 4.43Å; I445-K517 HydrophobicContact CG2-CG 4.39Å; I445-L520 HydrophobicContact CG2-CB 4.02Å; I445-L520 HydrophobicContact CG2-CD1 4.25Å
446L92Very high91.9Very high13 Ų1353.2 Ų53.27%0.06826%0.256CS..Hα-helixtrans-60.6-44.1179.3-175.462.9000111.9F442 N448 S449 F455 Y456 L520F442-L446 HydrophobicContact CE1-CD2 4.34Å; F442-L446 PolarHBondContact O-N 3.28Å; L446-N448 VanDerWaalsContact C-N 3.28Å; L446-N448 PolarHBondContact O-N 3.26Å; L446-S449 WeakPolarHBondContact O-CB 3.4Å; L446-S449 PolarHBondContact O-N 3.43Å; L446-S449 PolarHBondContact O-OG 3.4Å; L446-F455 HydrophobicContact CD1-CD2 3.59Å; L446-F455 HydrophobicContact CD1-CE2 3.92Å; L446-F455 HydrophobicContact CD1-CG 4.31Å; L446-F455 HydrophobicContact CD2-CB 4.46Å; L446-F455 HydrophobicContact CD2-CG 4.47Å; L446-F455 HydrophobicContact CG-CD2 4.44Å; L446-Y456 HydrophobicContact CD2-CE2 4.26Å; L446-Y456 HydrophobicContact CG-CE2 4.19Å; L446-L520 HydrophobicContact CB-CD1 4.39Å; L446-L520 HydrophobicContact CD1-CD1 3.92Å; L446-L520 HydrophobicContact CD1-CD2 4.09Å
447K89.7Confident91.6Very high69 Ų6958.1 Ų58.130%0.328%0.277SS..Hα-helixtrans-62.2-34177.5-177.2173.4-176.11660112.6D319 L443 S444 I445 N452D319-K447 HydrophobicContact CB-CD 4.38Å; D319-K447 PolarHBondContact O-NZ 2.64Å; D319-K447 VanDerWaalsContact OD2-CE 3.3Å; D319-K447 WeakPolarHBondContact OD2-CE 3.32Å; D319-K447 IonicContact OD2-NZ 2.65Å; D319-K447 PolarHBondContact OD2-NZ 2.96Å; L443-K447 WeakPolarHBondContact O-CB 3.43Å; L443-K447 PolarHBondContact O-N 3.15Å; S444-K447 PolarHBondContact O-N 2.96Å; I445-K447 PolarHBondContact O-N 2.92Å; K447-N452 VanDerWaalsContact O-CB 3.23Å; K447-N452 WeakPolarHBondContact O-CB 3.46Å; K447-N452 PolarHBondContact O-ND2 3.26Å
448N91.6Very high91.6Very high92 Ų9257.2 Ų57.249%0.49227%0.272SS..Hα-helixtrans-93-0.9-180-62.7-38.9000113.3S444 I445 L446 P522 L523S444-N448 PolarHBondContact O-N 2.88Å; S444-N448 PolarHBondContact O-ND2 3.04Å; I445-N448 CarbonylContact O-C 3.51Å; I445-N448 PolarHBondContact O-N 3.37Å; L446-N448 VanDerWaalsContact C-N 3.28Å; L446-N448 PolarHBondContact O-N 3.26Å; N448-P522 WeakPolarHBondContact O-CA 3.28Å; N448-L523 PolarHBondContact O-N 3.29Å
449S92.7Very high91.6Very high0 Ų063.8 Ų63.80%030%0.3CS..BIsolated β-bridgetrans-82.1161.918077.40000113I445 L446 Y451 N452 P521I445-S449 WeakPolarHBondContact O-CB 3.35Å; I445-S449 PolarHBondContact O-N 2.86Å; L446-S449 WeakPolarHBondContact O-CB 3.4Å; L446-S449 PolarHBondContact O-N 3.43Å; L446-S449 PolarHBondContact O-OG 3.4Å; S449-Y451 PolarHBondContact O-N 3.32Å; S449-Y451 PolarHBondContact OG-N 2.85Å; S449-N452 WeakPolarHBondContact O-CB 3.49Å; S449-N452 PolarHBondContact O-N 3.14Å; S449-P521 CarbonylContact C-O 3.55Å; S449-P521 VanDerWaalsContact CA-O 3.23Å; S449-P521 WeakPolarHBondContact CA-O 3.37Å; S449-P521 WeakPolarHBondContact CB-O 3.39Å
450K90.6Very high91.6Very high109 Ų10968.2 Ų68.247%0.47432%0.323SS..THydrogen-bonded Turntrans-55.4-20.7170.370.6178.7-179.3-173.70113.9P521K450-P521 HydrophobicContact CD-CG 3.68Å; K450-P521 VanDerWaalsContact CE-CG 3.49Å; K450-P521 HydrophobicContact CG-CG 4.06Å; K450-P521 PolarHBondContact N-O 3.33Å
451Y90.7Very high91.6Very high90 Ų9064 Ų6435%0.35331%0.305SS..THydrogen-bonded Turntrans-91.1-0.1-178.9-58.8-71.7000114.1S449 H453 F454 F455 L519 L520S449-Y451 PolarHBondContact O-N 3.32Å; S449-Y451 PolarHBondContact OG-N 2.85Å; Y451-H453 VanDerWaalsContact C-N 3.32Å; Y451-H453 PolarHBondContact O-N 2.94Å; Y451-F454 WeakPolarHBondContact O-CB 3.42Å; Y451-F454 PolarHBondContact O-N 2.89Å; Y451-F454 VanDerWaalsContact O-N 3.11Å; Y451-F455 HydrophobicContact CG-CE2 4.44Å; Y451-F455 WeakPolarHBondContact O-CD2 3.37Å; Y451-F455 PolarHBondContact O-N 3.5Å; Y451-L519 WeakPolarHBondContact CE2-O 3.41Å; Y451-L520 HydrophobicContact CD2-CD2 3.64Å; Y451-L520 HydrophobicContact CE2-CD2 4.2Å
452N88.9Confident91.4Very high36 Ų3667.1 Ų67.119%0.19331%0.313CS..Hα-helixtrans-50.5-53177172.31.5000111.2K447 S449 F454 F455 Y456K447-N452 VanDerWaalsContact O-CB 3.23Å; K447-N452 WeakPolarHBondContact O-CB 3.46Å; K447-N452 PolarHBondContact O-ND2 3.26Å; S449-N452 WeakPolarHBondContact O-CB 3.49Å; S449-N452 PolarHBondContact O-N 3.14Å; N452-F454 VanDerWaalsContact C-N 3.28Å; N452-F454 PolarHBondContact O-N 3.44Å; N452-F455 PolarHBondContact O-N 2.94Å; N452-Y456 WeakPolarHBondContact O-CB 3.37Å; N452-Y456 WeakPolarHBondContact O-CD2 3.26Å; N452-Y456 PolarHBondContact O-N 2.79Å; N452-Y456 WeakPolarHBondContact OD1-CD2 3.38Å
453H89.2Confident91.4Very high130 Ų13066.8 Ų66.860%0.60232%0.317SS*.Hα-helixtrans-56.2-43.7-179.7-176.4-92.3000111.9Y451 K457 T458Y451-H453 VanDerWaalsContact C-N 3.32Å; Y451-H453 PolarHBondContact O-N 2.94Å; H453-K457 WeakPolarHBondContact O-CA 3.29Å; H453-K457 VanDerWaalsContact O-CB 3.25Å; H453-K457 WeakPolarHBondContact O-CB 3.36Å; H453-K457 PolarHBondContact O-N 3.17Å; H453-T458 PolarHBondContact O-N 3.41Å
454F92.7Very high91.4Very high75 Ų7567.6 Ų67.633%0.32932%0.321SS..Hα-helixtrans-58.7-59176.4177.7-102.6000111.4Y451 N452 Y456 T458 I460 G461 I464Y451-F454 WeakPolarHBondContact O-CB 3.42Å; Y451-F454 PolarHBondContact O-N 2.89Å; Y451-F454 VanDerWaalsContact O-N 3.11Å; N452-F454 VanDerWaalsContact C-N 3.28Å; N452-F454 PolarHBondContact O-N 3.44Å; F454-Y456 PolarHBondContact O-N 2.76Å; F454-T458 HydrophobicContact CD2-CG2 4.24Å; F454-T458 WeakPolarHBondContact O-CB 3.38Å; F454-T458 PolarHBondContact O-N 3.03Å; F454-T458 PolarHBondContact O-OG1 3.2Å; F454-I460 HydrophobicContact CZ-CG2 4.36Å; F454-G461 WeakPolarHBondContact O-CA 3.08Å; F454-I464 HydrophobicContact CE1-CD1 4.46Å; F454-I464 HydrophobicContact CZ-CD1 4.25Å
455F90.1Very high91.4Very high45 Ų4566.2 Ų66.220%0.19731%0.311CS..Hα-helixtrans-70.9-30.8-172.6-74.4-72.2000114.1R318 L446 Y451 N452 G461 R462 I464 S465R318-F455 PolarHBondContact NH2-O 3Å; L446-F455 HydrophobicContact CD1-CD2 3.59Å; L446-F455 HydrophobicContact CD1-CE2 3.92Å; L446-F455 HydrophobicContact CD1-CG 4.31Å; L446-F455 HydrophobicContact CD2-CB 4.46Å; L446-F455 HydrophobicContact CD2-CG 4.47Å; L446-F455 HydrophobicContact CG-CD2 4.44Å; Y451-F455 HydrophobicContact CG-CE2 4.44Å; Y451-F455 WeakPolarHBondContact O-CD2 3.37Å; Y451-F455 PolarHBondContact O-N 3.5Å; N452-F455 PolarHBondContact O-N 2.94Å; F455-G461 CarbonylContact O-C 3.34Å; F455-R462 PolarHBondContact O-N 3.19Å; F455-I464 HydrophobicContact CE1-CG2 4.24Å; F455-S465 PolarHBondContact O-OG 3.17Å
456Y86.4Confident91.2Very high33 Ų3367.4 Ų67.413%0.12932%0.321CS..Hα-helixtrans-100.8-25.6-174.9-68.9-82.4000114.9D319 L446 N452 F454D319-Y456 HydrophobicContact CB-CD1 4.38Å; L446-Y456 HydrophobicContact CD2-CE2 4.26Å; L446-Y456 HydrophobicContact CG-CE2 4.19Å; N452-Y456 WeakPolarHBondContact O-CB 3.37Å; N452-Y456 WeakPolarHBondContact O-CD2 3.26Å; N452-Y456 PolarHBondContact O-N 2.79Å; N452-Y456 WeakPolarHBondContact OD1-CD2 3.38Å; F454-Y456 PolarHBondContact O-N 2.76Å
457K87.5Confident91.4Very high107 Ų10770.7 Ų70.747%0.46534%0.341SS..Hα-helixtrans-110.1-39.8-174.3-54.7-63.9-175.3174.60113.1H453H453-K457 WeakPolarHBondContact O-CA 3.29Å; H453-K457 VanDerWaalsContact O-CB 3.25Å; H453-K457 WeakPolarHBondContact O-CB 3.36Å; H453-K457 PolarHBondContact O-N 3.17Å
458T92.2Very high91.7Very high42 Ų4270.9 Ų70.926%0.25835%0.351SS..SBendtrans-70.1151.6-18076.50000111.6H453 F454 G461 R462H453-T458 PolarHBondContact O-N 3.41Å; F454-T458 HydrophobicContact CD2-CG2 4.24Å; F454-T458 WeakPolarHBondContact O-CB 3.38Å; F454-T458 PolarHBondContact O-N 3.03Å; F454-T458 PolarHBondContact O-OG1 3.2Å; T458-G461 PolarHBondContact OG1-N 3.04Å; T458-R462 WeakPolarHBondContact O-CB 3.29Å; T458-R462 WeakPolarHBondContact O-CG 3.44Å; T458-R462 PolarHBondContact O-N 2.61Å; T458-R462 VanDerWaalsContact O-N 3.15Å; T458-R462 PolarHBondContact O-NE 2.91Å
459F94Very high91.8Very high149 Ų14967 Ų6765%0.65433%0.333SS*.Hα-helixtrans-63.5-49.4176.6178.2-104000111.6G461 R462 V463F459-G461 PolarHBondContact O-N 2.89Å; F459-R462 WeakPolarHBondContact O-CB 3.37Å; F459-R462 PolarHBondContact O-N 2.6Å; F459-V463 HydrophobicContact CD1-CG2 4.42Å; F459-V463 HydrophobicContact CE1-CG2 4.02Å; F459-V463 HydrophobicContact CE2-CG2 4.26Å; F459-V463 HydrophobicContact CZ-CG2 3.93Å; F459-V463 WeakPolarHBondContact O-CG2 3.21Å; F459-V463 PolarHBondContact O-N 3.15Å
460I94.6Very high91.9Very high109 Ų10968.8 Ų68.856%0.55934%0.34SS*.Hα-helixtrans-61-49.2-178.7-61.3172.7000110.9F454 R462 V463 I464F454-I460 HydrophobicContact CZ-CG2 4.36Å; I460-R462 VanDerWaalsContact C-N 3.27Å; I460-R462 PolarHBondContact O-N 2.98Å; I460-V463 PolarHBondContact O-N 3.12Å; I460-V463 VanDerWaalsContact O-N 3.11Å; I460-I464 HydrophobicContact CG2-CD1 3.82Å; I460-I464 HydrophobicContact CG2-CG1 4.4Å; I460-I464 WeakPolarHBondContact O-CG1 3.19Å; I460-I464 PolarHBondContact O-N 2.74Å
461G92.6Very high92.1Very high0 Ų068.8 Ų68.80%035%0.345CS..Hα-helixtrans-62.3-33.9178.300000113F454 F455 T458 F459 S465F454-G461 WeakPolarHBondContact O-CA 3.08Å; F455-G461 CarbonylContact O-C 3.34Å; T458-G461 PolarHBondContact OG1-N 3.04Å; F459-G461 PolarHBondContact O-N 2.89Å; G461-S465 VanDerWaalsContact O-CB 3.31Å; G461-S465 WeakPolarHBondContact O-CB 3.31Å; G461-S465 PolarHBondContact O-N 3.31Å; G461-S465 PolarHBondContact O-OG 3.22Å
462R90.4Very high92.3Very high108 Ų10866.5 Ų66.541%0.40834%0.337SS..Hα-helixtrans-66.3-40.5172.4-76-177-62.7165.50.5112.7F455 T458 F459 I460 S465 S466F455-R462 PolarHBondContact O-N 3.19Å; T458-R462 WeakPolarHBondContact O-CB 3.29Å; T458-R462 WeakPolarHBondContact O-CG 3.44Å; T458-R462 PolarHBondContact O-N 2.61Å; T458-R462 VanDerWaalsContact O-N 3.15Å; T458-R462 PolarHBondContact O-NE 2.91Å; F459-R462 WeakPolarHBondContact O-CB 3.37Å; F459-R462 PolarHBondContact O-N 2.6Å; I460-R462 VanDerWaalsContact C-N 3.27Å; I460-R462 PolarHBondContact O-N 2.98Å; R462-S465 WeakPolarHBondContact CA-OG 3.18Å; R462-S465 PolarHBondContact O-OG 3.46Å; R462-S465 VanDerWaalsContact O-OG 3.08Å; R462-S466 VanDerWaalsContact O-CB 3.3Å; R462-S466 WeakPolarHBondContact O-CB 3.45Å; R462-S466 PolarHBondContact O-N 3.2Å; R462-S466 PolarHBondContact O-OG 3.13Å
463V93.9Very high92.6Very high69 Ų6964.9 Ų64.942%0.41833%0.329SS..Hα-helixtrans-62.5-52.4174.31730000109.8F459 I460 S465 S466 V467F459-V463 HydrophobicContact CD1-CG2 4.42Å; F459-V463 HydrophobicContact CE1-CG2 4.02Å; F459-V463 HydrophobicContact CE2-CG2 4.26Å; F459-V463 HydrophobicContact CZ-CG2 3.93Å; F459-V463 WeakPolarHBondContact O-CG2 3.21Å; F459-V463 PolarHBondContact O-N 3.15Å; I460-V463 PolarHBondContact O-N 3.12Å; I460-V463 VanDerWaalsContact O-N 3.11Å; V463-S465 PolarHBondContact O-N 3.07Å; V463-S466 PolarHBondContact O-N 3.18Å; V463-S466 VanDerWaalsContact O-N 3.12Å; V463-V467 HydrophobicContact CG1-CG2 4.45Å; V463-V467 WeakPolarHBondContact O-CG2 3.22Å; V463-V467 PolarHBondContact O-N 2.72Å
464I93.9Very high92.8Very high70 Ų7062.9 Ų62.936%0.35932%0.317SS..Hα-helixtrans-56.8-53.7-179.7-66.8170.4000110.7F454 F455 I460 S466 V467 C468F454-I464 HydrophobicContact CE1-CD1 4.46Å; F454-I464 HydrophobicContact CZ-CD1 4.25Å; F455-I464 HydrophobicContact CE1-CG2 4.24Å; I460-I464 HydrophobicContact CG2-CD1 3.82Å; I460-I464 HydrophobicContact CG2-CG1 4.4Å; I460-I464 WeakPolarHBondContact O-CG1 3.19Å; I460-I464 PolarHBondContact O-N 2.74Å; I464-S466 PolarHBondContact O-N 3.43Å; I464-V467 PolarHBondContact O-N 2.98Å; I464-C468 WeakPolarHBondContact O-CB 3.18Å; I464-C468 PolarHBondContact O-N 3.41Å; I464-C468 PolarHBondContact O-SG 2.89Å; I464-C468 VanDerWaalsContact O-SG 3.34Å
465S90.7Very high92.9Very high26 Ų2661.1 Ų61.118%0.18231%0.309CS..Hα-helixtrans-60.3-32.4179.554.40000113.1R318 F455 G461 R462 V463 G469R318-S465 PolarHBondContact NH1-OG 3.48Å; R318-S465 VanDerWaalsContact NH1-OG 3.11Å; R318-S465 PolarHBondContact NH2-OG 2.91Å; F455-S465 PolarHBondContact O-OG 3.17Å; G461-S465 VanDerWaalsContact O-CB 3.31Å; G461-S465 WeakPolarHBondContact O-CB 3.31Å; G461-S465 PolarHBondContact O-N 3.31Å; G461-S465 PolarHBondContact O-OG 3.22Å; R462-S465 WeakPolarHBondContact CA-OG 3.18Å; R462-S465 PolarHBondContact O-OG 3.46Å; R462-S465 VanDerWaalsContact O-OG 3.08Å; V463-S465 PolarHBondContact O-N 3.07Å; S465-G469 WeakPolarHBondContact O-CA 3.37Å; S465-G469 PolarHBondContact O-N 2.7Å
466S91.8Very high93Very high44 Ų4459.7 Ų59.731%0.30830%0.303SS..Hα-helixtrans-75-39.5178.1-54.30000112R318 R462 V463 I464 K470R318-S466 PolarHBondContact NH1-OG 3.38Å; R462-S466 VanDerWaalsContact O-CB 3.3Å; R462-S466 WeakPolarHBondContact O-CB 3.45Å; R462-S466 PolarHBondContact O-N 3.2Å; R462-S466 PolarHBondContact O-OG 3.13Å; V463-S466 PolarHBondContact O-N 3.18Å; V463-S466 VanDerWaalsContact O-N 3.12Å; I464-S466 PolarHBondContact O-N 3.43Å; S466-K470 VanDerWaalsContact O-CB 3.27Å; S466-K470 WeakPolarHBondContact O-CB 3.22Å; S466-K470 PolarHBondContact O-N 2.94Å
467V95.4Very high93.3Very high81 Ų8159 Ų5949%0.49130%0.302SS..Hα-helixtrans-66.1-51175.1173.30000110.4V463 I464 G469 K470 L471V463-V467 HydrophobicContact CG1-CG2 4.45Å; V463-V467 WeakPolarHBondContact O-CG2 3.22Å; V463-V467 PolarHBondContact O-N 2.72Å; I464-V467 PolarHBondContact O-N 2.98Å; V467-G469 PolarHBondContact O-N 2.84Å; V467-K470 PolarHBondContact O-N 2.74Å; V467-K470 VanDerWaalsContact O-N 3.16Å; V467-L471 HydrophobicContact CG1-CD1 4.18Å; V467-L471 WeakPolarHBondContact O-CG 3.31Å; V467-L471 PolarHBondContact O-N 2.84Å
468C95.1Very high93.7Very high74 Ų7454 Ų5450%0.528%0.28SS..Hα-helixtrans-59.5-45.7177.1-66.50000111.6I464 K470 L471 H472I464-C468 WeakPolarHBondContact O-CB 3.18Å; I464-C468 PolarHBondContact O-N 3.41Å; I464-C468 PolarHBondContact O-SG 2.89Å; I464-C468 VanDerWaalsContact O-SG 3.34Å; C468-K470 VanDerWaalsContact C-N 3.32Å; C468-K470 PolarHBondContact O-N 2.67Å; C468-L471 PolarHBondContact O-N 3.02Å; C468-H472 VanDerWaalsContact O-CB 3.32Å; C468-H472 WeakPolarHBondContact O-CB 3.32Å; C468-H472 PolarHBondContact O-N 3.25Å
469G94.6Very high93.8Very high11 Ų1152.1 Ų52.111%0.11327%0.269CS..Hα-helixtrans-59.8-41.4175.600000112.1T373 S465 V467 H472 I473T373-G469 CarbonylContact O-C 3.6Å; T373-G469 WeakPolarHBondContact O-CA 3.14Å; S465-G469 WeakPolarHBondContact O-CA 3.37Å; S465-G469 PolarHBondContact O-N 2.7Å; V467-G469 PolarHBondContact O-N 2.84Å; G469-H472 WeakPolarHBondContact O-CB 3.45Å; G469-H472 PolarHBondContact O-N 3.35Å; G469-I473 WeakPolarHBondContact O-CG1 3.41Å; G469-I473 PolarHBondContact O-N 2.78Å
470K94.4Very high93.9Very high36 Ų3645.5 Ų45.516%0.15724%0.24CC..Hα-helixtrans-67.6-42.2178.7-173.466.1-165.5174.50113I370 A372 S466 V467 C468 H472 I473 Y474I370-K470 WeakPolarHBondContact O-CE 3.31Å; I370-K470 PolarHBondContact O-NZ 2.93Å; A372-K470 WeakPolarHBondContact O-CD 3.32Å; S466-K470 VanDerWaalsContact O-CB 3.27Å; S466-K470 WeakPolarHBondContact O-CB 3.22Å; S466-K470 PolarHBondContact O-N 2.94Å; V467-K470 PolarHBondContact O-N 2.74Å; V467-K470 VanDerWaalsContact O-N 3.16Å; C468-K470 VanDerWaalsContact C-N 3.32Å; C468-K470 PolarHBondContact O-N 2.67Å; K470-H472 VanDerWaalsContact C-N 3.32Å; K470-I473 PolarHBondContact O-N 2.6Å; K470-Y474 HydrophobicContact CD-CE2 4.15Å; K470-Y474 WeakPolarHBondContact CE-OH 3.22Å; K470-Y474 HydrophobicContact CG-CD2 4.21Å; K470-Y474 HydrophobicContact CG-CE2 3.75Å; K470-Y474 WeakPolarHBondContact O-CD2 3.34Å; K470-Y474 PolarHBondContact O-N 3.25Å
471L95.3Very high93.9Very high109 Ų10941.3 Ų41.357%0.57122%0.219SC*.Hα-helixtrans-62.8-41.7174.1-69.1174.8000111.2V467 C468 I473 Y474 F475V467-L471 HydrophobicContact CG1-CD1 4.18Å; V467-L471 WeakPolarHBondContact O-CG 3.31Å; V467-L471 PolarHBondContact O-N 2.84Å; C468-L471 PolarHBondContact O-N 3.02Å; L471-I473 VanDerWaalsContact C-N 3.35Å; L471-I473 PolarHBondContact O-N 2.77Å; L471-Y474 PolarHBondContact O-N 2.74Å; L471-F475 WeakPolarHBondContact O-CB 3.24Å; L471-F475 PolarHBondContact O-N 3.03Å
472H94.9Very high94Very high42 Ų4241.3 Ų41.319%0.19422%0.219CC..Hα-helixtrans-56.7-48172.5173.671.5000111.1E439 C468 G469 K470 Y474 F475 I476 Y506E439-H472 IonicContact OE2-CD2 3.38Å; E439-H472 PolarHBondContact OE2-CD2 3.4Å; E439-H472 IonicContact OE2-NE2 3.8Å; E439-H472 PolarHBondContact OE2-NE2 3.09Å; C468-H472 VanDerWaalsContact O-CB 3.32Å; C468-H472 WeakPolarHBondContact O-CB 3.32Å; C468-H472 PolarHBondContact O-N 3.25Å; G469-H472 WeakPolarHBondContact O-CB 3.45Å; G469-H472 PolarHBondContact O-N 3.35Å; K470-H472 VanDerWaalsContact C-N 3.32Å; H472-Y474 PolarHBondContact O-N 2.99Å; H472-F475 PolarHBondContact O-N 3.26Å; H472-I476 WeakPolarHBondContact CE1-CG2 3.23Å; H472-I476 WeakPolarHBondContact O-CG1 3.38Å; H472-I476 WeakPolarHBondContact O-CG2 3.3Å; H472-I476 PolarHBondContact O-N 3.05Å; H472-Y506 AromaticContact CE1-CE1 3.76Å; H472-Y506 AromaticContact CE1-CZ 3.58Å; H472-Y506 PolarHBondContact CE1-OH 2.88Å; H472-Y506 PolarHBondContact ND1-OH 3.08Å
473I94.5Very high94.3Very high2 Ų236.1 Ų36.11%0.0120%0.199CC..Hα-helixtrans-56.7-47176.6-71.2-50.3000112.6A372 N374 I378 G469 K470 L471 F475 I476 L477A372-I473 HydrophobicContact CB-CG1 4.49Å; N374-I473 WeakPolarHBondContact O-CD1 3.46Å; I378-I473 HydrophobicContact CD1-CB 4.45Å; I378-I473 HydrophobicContact CD1-CD1 3.4Å; I378-I473 HydrophobicContact CD1-CG1 4.18Å; I378-I473 HydrophobicContact CD1-CG2 3.71Å; I378-I473 HydrophobicContact CG1-CD1 3.99Å; I378-I473 HydrophobicContact CG1-CG2 4.41Å; G469-I473 WeakPolarHBondContact O-CG1 3.41Å; G469-I473 PolarHBondContact O-N 2.78Å; K470-I473 PolarHBondContact O-N 2.6Å; L471-I473 VanDerWaalsContact C-N 3.35Å; L471-I473 PolarHBondContact O-N 2.77Å; I473-F475 VanDerWaalsContact C-N 3.32Å; I473-F475 PolarHBondContact O-N 3.3Å; I473-I476 HydrophobicContact CD1-CD1 3.84Å; I473-I476 WeakPolarHBondContact O-CG1 3.44Å; I473-L477 HydrophobicContact CG2-CD1 3.95Å; I473-L477 WeakPolarHBondContact O-CG 3.46Å; I473-L477 PolarHBondContact O-N 2.79Å
474Y94.2Very high94.4Very high89 Ų8934.4 Ų34.435%0.34919%0.186SC..Hα-helixtrans-61.5-43.8178.4-74.2-47.3000112I262 Q266 K470 L471 H472I262-Y474 HydrophobicContact CG2-CG 4.44Å; Q266-Y474 HydrophobicContact CG-CD1 3.96Å; Q266-Y474 HydrophobicContact CG-CE1 4.07Å; K470-Y474 HydrophobicContact CD-CE2 4.15Å; K470-Y474 WeakPolarHBondContact CE-OH 3.22Å; K470-Y474 HydrophobicContact CG-CD2 4.21Å; K470-Y474 HydrophobicContact CG-CE2 3.75Å; K470-Y474 WeakPolarHBondContact O-CD2 3.34Å; K470-Y474 PolarHBondContact O-N 3.25Å; L471-Y474 PolarHBondContact O-N 2.74Å; H472-Y474 PolarHBondContact O-N 2.99Å
475F94.2Very high94.4Very high38 Ų3834.1 Ų34.117%0.16718%0.181CC..Hα-helixtrans-63.6-49.2178.7173.1-93.7000112.3L258 L471 H472 I473 L477 A478 I502 W505 Y506L258-F475 HydrophobicContact CD1-CD2 4.3Å; L258-F475 HydrophobicContact CD1-CE2 4.21Å; L258-F475 HydrophobicContact CD2-CD2 4.22Å; L258-F475 HydrophobicContact CD2-CE2 4.17Å; L471-F475 WeakPolarHBondContact O-CB 3.24Å; L471-F475 PolarHBondContact O-N 3.03Å; H472-F475 PolarHBondContact O-N 3.26Å; I473-F475 VanDerWaalsContact C-N 3.32Å; I473-F475 PolarHBondContact O-N 3.3Å; F475-L477 VanDerWaalsContact C-N 3.28Å; F475-L477 PolarHBondContact O-N 2.93Å; F475-A478 WeakPolarHBondContact O-CB 3.07Å; F475-A478 PolarHBondContact O-N 3.11Å; F475-I502 HydrophobicContact CE2-CG1 3.96Å; F475-I502 HydrophobicContact CE2-CG2 4.09Å; F475-I502 HydrophobicContact CZ-CG1 3.9Å; F475-I502 HydrophobicContact CZ-CG2 4.34Å; F475-W505 AromaticContact CE1-CD1 3.53Å; F475-W505 AromaticContact CE1-NE1 3.26Å; F475-W505 VanDerWaalsContact CE1-NE1 3.26Å; F475-W505 AromaticContact CZ-CD1 3.69Å; F475-W505 AromaticContact CZ-NE1 3.81Å; F475-Y506 HydrophobicContact CD1-CE2 4.49Å; F475-Y506 AromaticContact CE1-CE2 3.97Å; F475-Y506 HydrophobicContact CE1-CE2 3.97Å
476I92.9Very high94.6Very high14 Ų1433.4 Ų33.47%0.07218%0.175CC..Hα-helixtrans-68.1-26.6-175.164.6171.6000113.2T375 V435 H472 I473 A478 P480 Y506T375-I476 HydrophobicContact CG2-CD1 3.57Å; V435-I476 HydrophobicContact CG1-CB 4.25Å; V435-I476 HydrophobicContact CG1-CD1 3.82Å; V435-I476 HydrophobicContact CG1-CG2 3.85Å; V435-I476 HydrophobicContact CG2-CB 4.49Å; V435-I476 HydrophobicContact CG2-CG2 4.29Å; H472-I476 WeakPolarHBondContact CE1-CG2 3.23Å; H472-I476 WeakPolarHBondContact O-CG1 3.38Å; H472-I476 WeakPolarHBondContact O-CG2 3.3Å; H472-I476 PolarHBondContact O-N 3.05Å; I473-I476 HydrophobicContact CD1-CD1 3.84Å; I473-I476 WeakPolarHBondContact O-CG1 3.44Å; I476-A478 VanDerWaalsContact C-N 3.32Å; I476-P480 WeakPolarHBondContact O-CD 3.35Å; I476-P480 WeakPolarHBondContact O-CG 3.34Å; I476-Y506 HydrophobicContact CG2-CE2 3.8Å; I476-Y506 WeakPolarHBondContact CG2-OH 3.46Å
477L92.8Very high94.7Very high20 Ų2031.5 Ų31.511%0.10516%0.162CC..Hα-helixtrans-77.9-17.9179.5-74.9172.8000112.6Q266 I378 I473 F475 M481Q266-L477 VanDerWaalsContact NE2-CD1 3.34Å; I378-L477 HydrophobicContact CD1-CD1 4.05Å; I378-L477 HydrophobicContact CD1-CD2 4.35Å; I378-L477 HydrophobicContact CD1-CG 4.28Å; I473-L477 HydrophobicContact CG2-CD1 3.95Å; I473-L477 WeakPolarHBondContact O-CG 3.46Å; I473-L477 PolarHBondContact O-N 2.79Å; F475-L477 VanDerWaalsContact C-N 3.28Å; F475-L477 PolarHBondContact O-N 2.93Å; L477-M481 VanDerWaalsContact O-CB 3.25Å; L477-M481 WeakPolarHBondContact O-CB 3.16Å; L477-M481 WeakPolarHBondContact O-CG 3.12Å; L477-M481 PolarHBondContact O-N 3.49Å
478A94.9Very high94.7Very high1 Ų130.6 Ų30.61%0.00815%0.151CC..Hα-helixtrans-63.7-60.8-174.300000112.6M261 I262 F475 I476 M481 V482M261-A478 HydrophobicContact CB-CB 4.18Å; I262-A478 HydrophobicContact CG1-CB 3.76Å; F475-A478 WeakPolarHBondContact O-CB 3.07Å; F475-A478 PolarHBondContact O-N 3.11Å; I476-A478 VanDerWaalsContact C-N 3.32Å; A478-M481 PolarHBondContact O-N 3.09Å; A478-V482 WeakPolarHBondContact O-CG2 3.29Å; A478-V482 PolarHBondContact O-N 2.93Å; A478-V482 VanDerWaalsContact O-N 3.07Å
479S95.4Very high94.7Very high3 Ų332.5 Ų32.52%0.02115%0.151CC..Hα-helixtrans-65.4-43.8-175.8-56.90000114.2M481 V482 A483 G503S479-M481 VanDerWaalsContact C-N 3.34Å; S479-M481 PolarHBondContact O-N 3.5Å; S479-V482 PolarHBondContact O-N 3.3Å; S479-A483 PolarHBondContact O-N 2.89Å; S479-G503 WeakPolarHBondContact OG-CA 3.37Å
480P95.3Very high94.8Very high9 Ų940.1 Ų40.16%0.05818%0.176CC..Hα-helixtrans-59.4-42.9175.4-24.135.1000112.5N428 I431 I476 A483 F484N428-P480 HydrophobicContact CB-CB 4.24Å; N428-P480 WeakPolarHBondContact OD1-CB 3.29Å; N428-P480 PolarHBondContact OD1-O 3.14Å; I431-P480 HydrophobicContact CB-CG 3.92Å; I431-P480 HydrophobicContact CD1-CG 4.12Å; I431-P480 HydrophobicContact CG2-CG 3.6Å; I476-P480 WeakPolarHBondContact O-CD 3.35Å; I476-P480 WeakPolarHBondContact O-CG 3.34Å; P480-A483 PolarHBondContact O-N 3.27Å; P480-F484 VanDerWaalsContact O-CB 3.24Å; P480-F484 WeakPolarHBondContact O-CB 3.33Å; P480-F484 PolarHBondContact O-N 3.48Å
481M94.2Very high94.9Very high21 Ų2139.9 Ų39.910%0.10318%0.177CC..Hα-helixtrans-68.8-37.7-180-68.9-61.298.700112.8L269 N428 L477 A478 S479 A483 F484 Y485L269-M481 HydrophobicContact CB-SD 4.41Å; L269-M481 HydrophobicContact CD1-SD 3.87Å; N428-M481 WeakPolarHBondContact OD1-CE 3.4Å; L477-M481 VanDerWaalsContact O-CB 3.25Å; L477-M481 WeakPolarHBondContact O-CB 3.16Å; L477-M481 WeakPolarHBondContact O-CG 3.12Å; L477-M481 PolarHBondContact O-N 3.49Å; A478-M481 PolarHBondContact O-N 3.09Å; S479-M481 VanDerWaalsContact C-N 3.34Å; S479-M481 PolarHBondContact O-N 3.5Å; M481-A483 VanDerWaalsContact C-N 3.35Å; M481-F484 HydrophobicContact CE-CB 4.42Å; M481-F484 PolarHBondContact O-N 3.3Å; M481-Y485 VanDerWaalsContact O-CB 3.25Å; M481-Y485 WeakPolarHBondContact O-CB 3.25Å; M481-Y485 PolarHBondContact O-N 2.86Å
482V96.2Very high95Very high0 Ų035.6 Ų35.60%015%0.153CC..Hα-helixtrans-61.2-45.8172.9168.70000110.7M243 M261 F264 A478 S479 Y485 L486 V495M243-V482 HydrophobicContact CE-CG2 4.14Å; M243-V482 HydrophobicContact SD-CG2 3.97Å; M261-V482 HydrophobicContact CB-CG2 4.19Å; M261-V482 HydrophobicContact CE-CB 4.39Å; M261-V482 HydrophobicContact CE-CG2 3.94Å; M261-V482 HydrophobicContact CG-CG2 4.1Å; F264-V482 HydrophobicContact CD1-CG2 4.13Å; F264-V482 HydrophobicContact CE1-CG2 4.46Å; A478-V482 WeakPolarHBondContact O-CG2 3.29Å; A478-V482 PolarHBondContact O-N 2.93Å; A478-V482 VanDerWaalsContact O-N 3.07Å; S479-V482 PolarHBondContact O-N 3.3Å; V482-Y485 PolarHBondContact O-N 3.48Å; V482-L486 HydrophobicContact CG1-CD1 3.76Å; V482-L486 WeakPolarHBondContact O-CB 3.24Å; V482-L486 WeakPolarHBondContact O-CG 3.36Å; V482-L486 PolarHBondContact O-N 2.72Å; V482-V495 HydrophobicContact CG1-CB 4.08Å; V482-V495 HydrophobicContact CG1-CG1 3.83Å
483A96.2Very high95.1Very high0 Ų037.2 Ų37.20%016%0.16CC..Hα-helixtrans-62.7-47.7176.800000112.3G424 L427 S479 P480 M481 Y485 L487 W492G424-A483 WeakPolarHBondContact CA-O 3.45Å; L427-A483 HydrophobicContact CB-CB 4.12Å; L427-A483 HydrophobicContact CD2-CB 3.69Å; L427-A483 HydrophobicContact CG-CB 4.01Å; S479-A483 PolarHBondContact O-N 2.89Å; P480-A483 PolarHBondContact O-N 3.27Å; M481-A483 VanDerWaalsContact C-N 3.35Å; A483-Y485 VanDerWaalsContact C-N 3.33Å; A483-Y485 PolarHBondContact O-N 2.97Å; A483-L487 PolarHBondContact O-N 3.28Å; A483-L487 VanDerWaalsContact O-N 3.1Å; A483-W492 HydrophobicContact CB-CB 4.3Å; A483-W492 HydrophobicContact CB-CG 4.3Å
484F94.9Very high95.2Very high33 Ų3338.9 Ų38.915%0.14517%0.171CC..Hα-helixtrans-61.3-40.5-180-168.4-79.5000111.8H419 Y425 N428 F429 P480 M481 L487H419-F484 AromaticContact CD2-CE2 3.83Å; H419-F484 AromaticContact CD2-CZ 3.4Å; H419-F484 WeakPolarHBondContact CD2-CZ 3.3Å; H419-F484 AromaticContact NE2-CZ 3.7Å; Y425-F484 HydrophobicContact CD1-CD1 4.4Å; Y425-F484 AromaticContact CD1-CD2 3.56Å; Y425-F484 HydrophobicContact CD1-CD2 3.56Å; Y425-F484 HydrophobicContact CD1-CE1 4.36Å; Y425-F484 AromaticContact CD1-CE2 3.52Å; Y425-F484 HydrophobicContact CD1-CE2 3.52Å; Y425-F484 HydrophobicContact CD1-CG 4.02Å; Y425-F484 AromaticContact CD1-CZ 3.95Å; Y425-F484 HydrophobicContact CD1-CZ 3.95Å; Y425-F484 HydrophobicContact CE1-CD1 4.09Å; Y425-F484 HydrophobicContact CE1-CD2 4.04Å; Y425-F484 AromaticContact CE1-CE1 3.86Å; Y425-F484 HydrophobicContact CE1-CE1 3.86Å; Y425-F484 AromaticContact CE1-CE2 3.8Å; Y425-F484 HydrophobicContact CE1-CE2 3.8Å; Y425-F484 HydrophobicContact CE1-CG 4.18Å; Y425-F484 AromaticContact CE1-CZ 3.71Å; Y425-F484 HydrophobicContact CE1-CZ 3.71Å; N428-F484 HydrophobicContact CB-CB 4.05Å; N428-F484 HydrophobicContact CB-CD2 3.99Å; F429-F484 HydrophobicContact CE2-CE2 4.14Å; F429-F484 HydrophobicContact CZ-CE2 4.29Å; P480-F484 VanDerWaalsContact O-CB 3.24Å; P480-F484 WeakPolarHBondContact O-CB 3.33Å; P480-F484 PolarHBondContact O-N 3.48Å; M481-F484 HydrophobicContact CE-CB 4.42Å; M481-F484 PolarHBondContact O-N 3.3Å; F484-L487 VanDerWaalsContact O-CD2 3.23Å; F484-L487 WeakPolarHBondContact O-CD2 3.24Å
485Y94.2Very high95.4Very high64 Ų6434.6 Ų34.625%0.25115%0.154SC..Hα-helixtrans-75.6-43.7-179.3-172.7-84000113F235 A240 F264 T268 M481 V482 A483F235-Y485 HydrophobicContact CE2-CE2 4.24Å; F235-Y485 HydrophobicContact CZ-CE2 4.12Å; F235-Y485 AromaticContact CZ-CZ 3.89Å; F235-Y485 WeakPolarHBondContact CZ-OH 3.46Å; A240-Y485 HydrophobicContact CB-CD1 3.8Å; A240-Y485 HydrophobicContact CB-CE1 3.36Å; F264-Y485 HydrophobicContact CE1-CD1 4.4Å; F264-Y485 HydrophobicContact CE1-CG 4.14Å; F264-Y485 AromaticContact CZ-CD1 3.66Å; F264-Y485 HydrophobicContact CZ-CD1 3.66Å; F264-Y485 AromaticContact CZ-CD2 3.99Å; F264-Y485 HydrophobicContact CZ-CD2 3.99Å; F264-Y485 HydrophobicContact CZ-CE1 4.1Å; F264-Y485 HydrophobicContact CZ-CE2 4.37Å; F264-Y485 AromaticContact CZ-CG 3.62Å; F264-Y485 HydrophobicContact CZ-CG 3.62Å; T268-Y485 HydrophobicContact CG2-CD2 3.69Å; T268-Y485 HydrophobicContact CG2-CE2 4.33Å; M481-Y485 VanDerWaalsContact O-CB 3.25Å; M481-Y485 WeakPolarHBondContact O-CB 3.25Å; M481-Y485 PolarHBondContact O-N 2.86Å; V482-Y485 PolarHBondContact O-N 3.48Å; A483-Y485 VanDerWaalsContact C-N 3.33Å; A483-Y485 PolarHBondContact O-N 2.97Å
486L95Very high95.6Very high11 Ų1132.9 Ų32.96%0.05815%0.147CC..Hα-helixtrans-79.7-17.4-174.9-68.4177.1000113.8A240 L244 V482 K488 L491 W492 V495A240-L486 HydrophobicContact CB-CD2 4.33Å; L244-L486 HydrophobicContact CD1-CD2 4.37Å; L244-L486 HydrophobicContact CD2-CD1 4.27Å; V482-L486 HydrophobicContact CG1-CD1 3.76Å; V482-L486 WeakPolarHBondContact O-CB 3.24Å; V482-L486 WeakPolarHBondContact O-CG 3.36Å; V482-L486 PolarHBondContact O-N 2.72Å; L486-K488 PolarHBondContact O-N 2.98Å; L486-L491 HydrophobicContact CB-CB 3.99Å; L486-L491 HydrophobicContact CD1-CB 4.33Å; L486-W492 HydrophobicContact CB-CB 4.14Å; L486-W492 HydrophobicContact CD1-CB 4.29Å; L486-V495 HydrophobicContact CD1-CB 4.47Å; L486-V495 HydrophobicContact CD1-CG2 3.76Å
487L94.6Very high95.8Very high4 Ų438.2 Ų38.22%0.02117%0.17CC..  trans64-58.7172.8-56.5172.8000115.9Y422 S423 G424 Y425 A483 F484Y422-L487 HydrophobicContact CD1-CB 4.35Å; Y422-L487 HydrophobicContact CD2-CB 4.07Å; Y422-L487 HydrophobicContact CD2-CD1 4.09Å; Y422-L487 HydrophobicContact CD2-CD2 4.22Å; Y422-L487 HydrophobicContact CD2-CG 4.37Å; Y422-L487 HydrophobicContact CE2-CD1 4.36Å; Y422-L487 HydrophobicContact CG-CB 3.84Å; Y422-L487 HydrophobicContact CG-CD2 4.5Å; S423-L487 PolarHBondContact OG-O 3.46Å; G424-L487 PolarHBondContact N-O 3.42Å; Y425-L487 HydrophobicContact CD1-CD2 4.2Å; Y425-L487 HydrophobicContact CE1-CD2 3.44Å; Y425-L487 VanDerWaalsContact CE1-CD2 3.44Å; Y425-L487 HydrophobicContact CE2-CD2 3.87Å; Y425-L487 WeakPolarHBondContact OH-CD2 3.4Å; A483-L487 PolarHBondContact O-N 3.28Å; A483-L487 VanDerWaalsContact O-N 3.1Å; F484-L487 VanDerWaalsContact O-CD2 3.23Å; F484-L487 WeakPolarHBondContact O-CD2 3.24Å
488K95Very high96Very high62 Ų6237.9 Ų37.927%0.2717%0.169SC..SBendtrans-79.7135.3-172.5-63.4-178.7-175.5172.50111.7R111 G112 Y422 L486 R490 L491 W492R111-K488 PolarHBondContact O-NZ 3.24Å; G112-K488 VanDerWaalsContact CA-CE 3.41Å; G112-K488 WeakPolarHBondContact O-CE 3.36Å; Y422-K488 HydrophobicContact CE1-CG 4.49Å; L486-K488 PolarHBondContact O-N 2.98Å; K488-R490 VanDerWaalsContact C-N 3.34Å; K488-R490 PolarHBondContact O-N 3.04Å; K488-L491 HydrophobicContact CB-CD1 4.18Å; K488-L491 HydrophobicContact CB-CG 4.16Å; K488-L491 HydrophobicContact CD-CD1 4.44Å; K488-L491 PolarHBondContact O-N 2.91Å; K488-W492 VanDerWaalsContact C-CD1 3.43Å; K488-W492 PolarHBondContact O-N 3.2Å; K488-W492 PolarHBondContact O-NE1 3.04Å
489F96Very high96.1Very high114 Ų11437.9 Ų37.950%0.517%0.169SC..Hα-helixtrans-45.6-54.1177.5179.6-94.2000112.6S423 L491 W492 F493S423-F489 PolarHBondContact OG-N 3.38Å; S423-F489 VanDerWaalsContact OG-N 3.15Å; F489-L491 PolarHBondContact O-N 2.81Å; F489-L491 VanDerWaalsContact O-N 3.07Å; F489-W492 HydrophobicContact CB-CZ2 4.21Å; F489-W492 AromaticContact CD2-CH2 3.37Å; F489-W492 HydrophobicContact CD2-CH2 3.37Å; F489-W492 AromaticContact CD2-CZ2 3.29Å; F489-W492 HydrophobicContact CD2-CZ2 3.29Å; F489-W492 HydrophobicContact CD2-CZ3 4.32Å; F489-W492 AromaticContact CE2-CH2 3.53Å; F489-W492 HydrophobicContact CE2-CH2 3.53Å; F489-W492 AromaticContact CE2-CZ2 3.98Å; F489-W492 HydrophobicContact CE2-CZ2 3.98Å; F489-W492 HydrophobicContact CE2-CZ3 4.3Å; F489-W492 HydrophobicContact CG-CH2 4.43Å; F489-W492 HydrophobicContact CG-CZ2 4.11Å; F489-F493 HydrophobicContact CD1-CB 4.46Å; F489-F493 HydrophobicContact CE1-CB 4.24Å; F489-F493 HydrophobicContact CE1-CD2 4.19Å; F489-F493 HydrophobicContact CE1-CG 4.1Å; F489-F493 HydrophobicContact CE2-CB 4.37Å; F489-F493 AromaticContact CE2-CD2 3.74Å; F489-F493 HydrophobicContact CE2-CD2 3.74Å; F489-F493 HydrophobicContact CE2-CE2 4.42Å; F489-F493 HydrophobicContact CE2-CG 4.3Å; F489-F493 HydrophobicContact CZ-CB 4.18Å; F489-F493 AromaticContact CZ-CD2 3.43Å; F489-F493 HydrophobicContact CZ-CD2 3.43Å; F489-F493 VanDerWaalsContact CZ-CD2 3.43Å; F489-F493 AromaticContact CZ-CE2 3.89Å; F489-F493 HydrophobicContact CZ-CE2 3.89Å; F489-F493 AromaticContact CZ-CG 3.82Å; F489-F493 HydrophobicContact CZ-CG 3.82Å; F489-F493 WeakPolarHBondContact O-CB 3.32Å; F489-F493 PolarHBondContact O-N 3.1Å
490R96.7Very high96.1Very high171 Ų17146.1 Ų46.165%0.64520%0.2SC*.Hα-helixtrans-56-31.8-177.873.9175.1167.296.4-4.5114.1K488 S494K488-R490 VanDerWaalsContact C-N 3.34Å; K488-R490 PolarHBondContact O-N 3.04Å; R490-S494 WeakPolarHBondContact O-CB 3.36Å
491L95.9Very high96.1Very high31 Ų3148.4 Ų48.416%0.16221%0.21CC..Hα-helixtrans-81.9-60.5-174.5-62.3-178000110.3L244 L486 K488 F489 F493 S494 V495L244-L491 HydrophobicContact CD1-CD2 4.01Å; L244-L491 HydrophobicContact CD2-CB 4.2Å; L244-L491 HydrophobicContact CD2-CD2 4.08Å; L486-L491 HydrophobicContact CB-CB 3.99Å; L486-L491 HydrophobicContact CD1-CB 4.33Å; K488-L491 HydrophobicContact CB-CD1 4.18Å; K488-L491 HydrophobicContact CB-CG 4.16Å; K488-L491 HydrophobicContact CD-CD1 4.44Å; K488-L491 PolarHBondContact O-N 2.91Å; F489-L491 PolarHBondContact O-N 2.81Å; F489-L491 VanDerWaalsContact O-N 3.07Å; L491-F493 VanDerWaalsContact C-N 3.27Å; L491-F493 PolarHBondContact O-N 3.09Å; L491-S494 PolarHBondContact O-N 3.21Å; L491-V495 PolarHBondContact O-N 2.94Å
492W96.4Very high96.2Very high19 Ų1950 Ų507%0.07222%0.218CC..Hα-helixtrans-66.7-31.6-178.561.4-109.1000112.1S423 L427 A483 L486 K488 F489 V495 L496S423-W492 PolarHBondContact OG-NE1 3.21Å; L427-W492 HydrophobicContact CD2-CD2 3.81Å; L427-W492 HydrophobicContact CD2-CE3 3.35Å; L427-W492 HydrophobicContact CD2-CH2 3.77Å; L427-W492 HydrophobicContact CD2-CZ2 4.1Å; L427-W492 HydrophobicContact CD2-CZ3 3.39Å; A483-W492 HydrophobicContact CB-CB 4.3Å; A483-W492 HydrophobicContact CB-CG 4.3Å; L486-W492 HydrophobicContact CB-CB 4.14Å; L486-W492 HydrophobicContact CD1-CB 4.29Å; K488-W492 VanDerWaalsContact C-CD1 3.43Å; K488-W492 PolarHBondContact O-N 3.2Å; K488-W492 PolarHBondContact O-NE1 3.04Å; F489-W492 HydrophobicContact CB-CZ2 4.21Å; F489-W492 AromaticContact CD2-CH2 3.37Å; F489-W492 HydrophobicContact CD2-CH2 3.37Å; F489-W492 AromaticContact CD2-CZ2 3.29Å; F489-W492 HydrophobicContact CD2-CZ2 3.29Å; F489-W492 HydrophobicContact CD2-CZ3 4.32Å; F489-W492 AromaticContact CE2-CH2 3.53Å; F489-W492 HydrophobicContact CE2-CH2 3.53Å; F489-W492 AromaticContact CE2-CZ2 3.98Å; F489-W492 HydrophobicContact CE2-CZ2 3.98Å; F489-W492 HydrophobicContact CE2-CZ3 4.3Å; F489-W492 HydrophobicContact CG-CH2 4.43Å; F489-W492 HydrophobicContact CG-CZ2 4.11Å; W492-V495 PolarHBondContact O-N 2.9Å; W492-L496 HydrophobicContact CE3-CD1 4.04Å; W492-L496 WeakPolarHBondContact O-CB 3.4Å; W492-L496 VanDerWaalsContact O-CG 3.31Å; W492-L496 WeakPolarHBondContact O-CG 3.03Å; W492-L496 PolarHBondContact O-N 3.02Å
493F97.7Very high95.9Very high76 Ų7650.1 Ų50.133%0.33322%0.22SC..Hα-helixtrans-64.7-43.3179.1-177.1-87.2000111.1F489 L491 L496 K497 F501F489-F493 HydrophobicContact CD1-CB 4.46Å; F489-F493 HydrophobicContact CE1-CB 4.24Å; F489-F493 HydrophobicContact CE1-CD2 4.19Å; F489-F493 HydrophobicContact CE1-CG 4.1Å; F489-F493 HydrophobicContact CE2-CB 4.37Å; F489-F493 AromaticContact CE2-CD2 3.74Å; F489-F493 HydrophobicContact CE2-CD2 3.74Å; F489-F493 HydrophobicContact CE2-CE2 4.42Å; F489-F493 HydrophobicContact CE2-CG 4.3Å; F489-F493 HydrophobicContact CZ-CB 4.18Å; F489-F493 AromaticContact CZ-CD2 3.43Å; F489-F493 HydrophobicContact CZ-CD2 3.43Å; F489-F493 VanDerWaalsContact CZ-CD2 3.43Å; F489-F493 AromaticContact CZ-CE2 3.89Å; F489-F493 HydrophobicContact CZ-CE2 3.89Å; F489-F493 AromaticContact CZ-CG 3.82Å; F489-F493 HydrophobicContact CZ-CG 3.82Å; F489-F493 WeakPolarHBondContact O-CB 3.32Å; F489-F493 PolarHBondContact O-N 3.1Å; L491-F493 VanDerWaalsContact C-N 3.27Å; L491-F493 PolarHBondContact O-N 3.09Å; F493-L496 PolarHBondContact O-N 2.78Å; F493-K497 HydrophobicContact CE1-CD 4.31Å; F493-K497 WeakPolarHBondContact O-CB 3.48Å; F493-K497 PolarHBondContact O-N 2.86Å; F493-F501 HydrophobicContact CD1-CZ 4.48Å; F493-F501 HydrophobicContact CD2-CE1 4.06Å; F493-F501 AromaticContact CD2-CZ 3.73Å; F493-F501 HydrophobicContact CD2-CZ 3.73Å; F493-F501 HydrophobicContact CE1-CZ 4.27Å; F493-F501 HydrophobicContact CE2-CE1 4.13Å; F493-F501 HydrophobicContact CE2-CE2 4.37Å; F493-F501 AromaticContact CE2-CZ 3.49Å; F493-F501 HydrophobicContact CE2-CZ 3.49Å; F493-F501 VanDerWaalsContact CE2-CZ 3.49Å; F493-F501 HydrophobicContact CG-CZ 4.23Å; F493-F501 HydrophobicContact CZ-CE2 4.35Å; F493-F501 AromaticContact CZ-CZ 3.78Å; F493-F501 HydrophobicContact CZ-CZ 3.78Å
494S97.4Very high95.7Very high36 Ų3652.6 Ų52.625%0.25223%0.232SC..Hα-helixtrans-59.8-46176.6159.90000111.3Q249 R490 L491 K497 S498Q249-S494 PolarHBondContact NE2-OG 3.22Å; Q249-S494 PolarHBondContact OE1-OG 3.32Å; R490-S494 WeakPolarHBondContact O-CB 3.36Å; L491-S494 PolarHBondContact O-N 3.21Å; S494-K497 PolarHBondContact O-N 3.44Å; S494-S498 PolarHBondContact O-N 2.83Å
495V97.7Very high95.7Very high0 Ų055.3 Ų55.30%024%0.242CC..Hα-helixtrans-65-47.9176.5-177.10000111.8M243 L244 M261 V482 L486 L491 W492 K497 S498M243-V495 HydrophobicContact CB-CG1 4.03Å; M243-V495 HydrophobicContact CB-CG2 3.91Å; M243-V495 HydrophobicContact SD-CG1 4.2Å; L244-V495 HydrophobicContact CD2-CG2 3.73Å; M261-V495 HydrophobicContact CE-CG1 4.47Å; M261-V495 HydrophobicContact CG-CG1 4.46Å; M261-V495 HydrophobicContact SD-CG1 4.14Å; V482-V495 HydrophobicContact CG1-CB 4.08Å; V482-V495 HydrophobicContact CG1-CG1 3.83Å; L486-V495 HydrophobicContact CD1-CB 4.47Å; L486-V495 HydrophobicContact CD1-CG2 3.76Å; L491-V495 PolarHBondContact O-N 2.94Å; W492-V495 PolarHBondContact O-N 2.9Å; V495-K497 VanDerWaalsContact C-N 3.3Å; V495-K497 PolarHBondContact O-N 3.2Å; V495-S498 WeakPolarHBondContact O-CB 3.44Å; V495-S498 PolarHBondContact O-N 3.37Å; V495-S498 VanDerWaalsContact O-N 3.13Å; V495-S498 PolarHBondContact O-OG 2.93Å
496L97.7Very high95.7Very high1 Ų152.7 Ų52.71%0.00523%0.232CC..Hα-helixtrans-66.7-32.3-178.8-66-170.8000112.5M261 L427 W492 F493 S498 V499 Y500 F501M261-L496 HydrophobicContact CE-CD2 3.59Å; L427-L496 HydrophobicContact CD2-CD1 3.68Å; W492-L496 HydrophobicContact CE3-CD1 4.04Å; W492-L496 WeakPolarHBondContact O-CB 3.4Å; W492-L496 VanDerWaalsContact O-CG 3.31Å; W492-L496 WeakPolarHBondContact O-CG 3.03Å; W492-L496 PolarHBondContact O-N 3.02Å; F493-L496 PolarHBondContact O-N 2.78Å; L496-S498 VanDerWaalsContact C-N 3.32Å; L496-S498 PolarHBondContact O-N 2.85Å; L496-V499 CarbonylContact O-C 3.17Å; L496-V499 WeakPolarHBondContact O-CG2 3.46Å; L496-V499 PolarHBondContact O-N 3.37Å; L496-Y500 PolarHBondContact O-N 3.23Å; L496-F501 HydrophobicContact CB-CD1 3.61Å; L496-F501 HydrophobicContact CB-CE1 3.56Å; L496-F501 HydrophobicContact CB-CG 4.49Å; L496-F501 HydrophobicContact CB-CZ 4.4Å; L496-F501 HydrophobicContact CD1-CD1 4.4Å; L496-F501 PolarHBondContact O-N 3Å
497K97.5Very high95.7Very high127 Ų12756.2 Ų56.255%0.55225%0.254SS*.Hα-helixtrans-61.3-39.3172.1-177.2-176.2175.9-173.10111.7F493 S494 V495 V499 Y500 F501F493-K497 HydrophobicContact CE1-CD 4.31Å; F493-K497 WeakPolarHBondContact O-CB 3.48Å; F493-K497 PolarHBondContact O-N 2.86Å; S494-K497 PolarHBondContact O-N 3.44Å; V495-K497 VanDerWaalsContact C-N 3.3Å; V495-K497 PolarHBondContact O-N 3.2Å; K497-V499 PolarHBondContact O-N 3.18Å; K497-Y500 PolarHBondContact O-N 3.44Å; K497-F501 HydrophobicContact CB-CE2 3.83Å; K497-F501 HydrophobicContact CB-CZ 3.96Å; K497-F501 HydrophobicContact CG-CE2 4.26Å
498S96.9Very high95.8Very high13 Ų1361.7 Ų61.79%0.09128%0.277CS..Hα-helixtrans-63.1-22.7179.478.30000113.5R257 S494 V495 L496R257-S498 WeakPolarHBondContact CD-OG 3.5Å; R257-S498 VanDerWaalsContact CZ-O 3.27Å; R257-S498 PolarHBondContact NE-O 3.42Å; R257-S498 PolarHBondContact NH2-O 3.41Å; S494-S498 PolarHBondContact O-N 2.83Å; V495-S498 WeakPolarHBondContact O-CB 3.44Å; V495-S498 PolarHBondContact O-N 3.37Å; V495-S498 VanDerWaalsContact O-N 3.13Å; V495-S498 PolarHBondContact O-OG 2.93Å; L496-S498 VanDerWaalsContact C-N 3.32Å; L496-S498 PolarHBondContact O-N 2.85Å
499V96.7Very high95.8Very high0 Ų059.9 Ų59.90%027%0.269CS..THydrogen-bonded Turntrans-10924.3173.8-62.20000112.1F254 R257 M261 L496 K497 F501 I502F254-V499 HydrophobicContact CD2-CB 4.45Å; F254-V499 HydrophobicContact CE2-CB 4.1Å; R257-V499 HydrophobicContact CB-CG1 3.7Å; M261-V499 HydrophobicContact CE-CG2 3.99Å; M261-V499 HydrophobicContact SD-CB 4.35Å; M261-V499 HydrophobicContact SD-CG1 3.7Å; M261-V499 HydrophobicContact SD-CG2 3.76Å; L496-V499 CarbonylContact O-C 3.17Å; L496-V499 WeakPolarHBondContact O-CG2 3.46Å; L496-V499 PolarHBondContact O-N 3.37Å; K497-V499 PolarHBondContact O-N 3.18Å; V499-F501 PolarHBondContact O-N 3.29Å; V499-F501 VanDerWaalsContact O-N 3.1Å; V499-I502 HydrophobicContact CB-CG2 4.2Å; V499-I502 HydrophobicContact CG2-CG2 4.22Å; V499-I502 WeakPolarHBondContact O-CB 3.41Å; V499-I502 WeakPolarHBondContact O-CG2 3.45Å; V499-I502 PolarHBondContact O-N 3Å
500Y96.2Very high95.9Very high176 Ų17659 Ų5969%0.6927%0.274SS*.THydrogen-bonded Turntrans54.432175.2-51.2-78.7000114.1F254 L496 K497 I502F254-Y500 AromaticContact CD2-CD2 3.88Å; F254-Y500 HydrophobicContact CD2-CD2 3.88Å; F254-Y500 HydrophobicContact CD2-CE2 4.11Å; F254-Y500 HydrophobicContact CE2-CD2 4.14Å; L496-Y500 PolarHBondContact O-N 3.23Å; K497-Y500 PolarHBondContact O-N 3.44Å; Y500-I502 PolarHBondContact O-N 3.38Å; Y500-I502 VanDerWaalsContact O-N 3.12Å
501F95.6Very high95.8Very high57 Ų5757.3 Ų57.325%0.2528%0.278CS..THydrogen-bonded Turntrans51.633-175.3-63.3-84.2000113.3F493 L496 K497 V499 G503 L504F493-F501 HydrophobicContact CD1-CZ 4.48Å; F493-F501 HydrophobicContact CD2-CE1 4.06Å; F493-F501 AromaticContact CD2-CZ 3.73Å; F493-F501 HydrophobicContact CD2-CZ 3.73Å; F493-F501 HydrophobicContact CE1-CZ 4.27Å; F493-F501 HydrophobicContact CE2-CE1 4.13Å; F493-F501 HydrophobicContact CE2-CE2 4.37Å; F493-F501 AromaticContact CE2-CZ 3.49Å; F493-F501 HydrophobicContact CE2-CZ 3.49Å; F493-F501 VanDerWaalsContact CE2-CZ 3.49Å; F493-F501 HydrophobicContact CG-CZ 4.23Å; F493-F501 HydrophobicContact CZ-CE2 4.35Å; F493-F501 AromaticContact CZ-CZ 3.78Å; F493-F501 HydrophobicContact CZ-CZ 3.78Å; L496-F501 HydrophobicContact CB-CD1 3.61Å; L496-F501 HydrophobicContact CB-CE1 3.56Å; L496-F501 HydrophobicContact CB-CG 4.49Å; L496-F501 HydrophobicContact CB-CZ 4.4Å; L496-F501 HydrophobicContact CD1-CD1 4.4Å; L496-F501 PolarHBondContact O-N 3Å; K497-F501 HydrophobicContact CB-CE2 3.83Å; K497-F501 HydrophobicContact CB-CZ 3.96Å; K497-F501 HydrophobicContact CG-CE2 4.26Å; V499-F501 PolarHBondContact O-N 3.29Å; V499-F501 VanDerWaalsContact O-N 3.1Å; F501-G503 PolarHBondContact O-N 3.44Å; F501-L504 HydrophobicContact CB-CB 4.47Å; F501-L504 HydrophobicContact CB-CD1 4.2Å; F501-L504 HydrophobicContact CB-CG 4.45Å; F501-L504 HydrophobicContact CD1-CD1 3.98Å; F501-L504 HydrophobicContact CG-CD1 4.45Å; F501-L504 WeakPolarHBondContact O-CB 3.29Å; F501-L504 PolarHBondContact O-N 3.03Å
502I94.9Very high95.8Very high54 Ų5458.7 Ų58.728%0.27728%0.284SS..G310 helixtrans-54.8-32.5-175.1-168.659.5000112.4F254 L258 F475 V499 Y500 L504 W505F254-I502 HydrophobicContact CE2-CB 4.41Å; F254-I502 HydrophobicContact CE2-CG2 4.28Å; F254-I502 HydrophobicContact CZ-CB 4.29Å; F254-I502 HydrophobicContact CZ-CG1 4.22Å; F254-I502 HydrophobicContact CZ-CG2 4.22Å; L258-I502 HydrophobicContact CD1-CG2 4.1Å; F475-I502 HydrophobicContact CE2-CG1 3.96Å; F475-I502 HydrophobicContact CE2-CG2 4.09Å; F475-I502 HydrophobicContact CZ-CG1 3.9Å; F475-I502 HydrophobicContact CZ-CG2 4.34Å; V499-I502 HydrophobicContact CB-CG2 4.2Å; V499-I502 HydrophobicContact CG2-CG2 4.22Å; V499-I502 WeakPolarHBondContact O-CB 3.41Å; V499-I502 WeakPolarHBondContact O-CG2 3.45Å; V499-I502 PolarHBondContact O-N 3Å; Y500-I502 PolarHBondContact O-N 3.38Å; Y500-I502 VanDerWaalsContact O-N 3.12Å; I502-L504 PolarHBondContact O-N 3.43Å; I502-L504 VanDerWaalsContact O-N 3.14Å; I502-W505 HydrophobicContact CD1-CB 4.43Å; I502-W505 VanDerWaalsContact O-CB 3.31Å; I502-W505 WeakPolarHBondContact O-CB 3.48Å; I502-W505 PolarHBondContact O-N 3.08Å; I502-W505 VanDerWaalsContact O-N 3.09Å
503G90Very high95.8Very high4 Ų461.8 Ų61.84%0.04130%0.296CS..G310 helixtrans-62.8-16.717500000115.4S479 F501S479-G503 WeakPolarHBondContact OG-CA 3.37Å; F501-G503 PolarHBondContact O-N 3.44Å
504L93.4Very high95.8Very high51 Ų5162.1 Ų62.127%0.26731%0.306SS..G310 helixtrans-93.44.8176.1-60.7-177.3000113.4L427 I431 F501 I502 Y506 V507L427-L504 HydrophobicContact CD1-CD2 4.39Å; I431-L504 HydrophobicContact CD1-CD2 3.72Å; I431-L504 HydrophobicContact CG1-CD2 3.52Å; F501-L504 HydrophobicContact CB-CB 4.47Å; F501-L504 HydrophobicContact CB-CD1 4.2Å; F501-L504 HydrophobicContact CB-CG 4.45Å; F501-L504 HydrophobicContact CD1-CD1 3.98Å; F501-L504 HydrophobicContact CG-CD1 4.45Å; F501-L504 WeakPolarHBondContact O-CB 3.29Å; F501-L504 PolarHBondContact O-N 3.03Å; I502-L504 PolarHBondContact O-N 3.43Å; I502-L504 VanDerWaalsContact O-N 3.14Å; L504-Y506 PolarHBondContact O-N 3.04Å; L504-V507 WeakPolarHBondContact O-CB 3.23Å; L504-V507 WeakPolarHBondContact O-CG2 3.47Å; L504-V507 PolarHBondContact O-N 3.41Å
505W93.1Very high95.7Very high91 Ų9162.9 Ų62.935%0.34532%0.315SS..G310 helixtrans-57.6-24.9-176.880-84.7000114F475 I502 V507 F508 I512F475-W505 AromaticContact CE1-CD1 3.53Å; F475-W505 AromaticContact CE1-NE1 3.26Å; F475-W505 VanDerWaalsContact CE1-NE1 3.26Å; F475-W505 AromaticContact CZ-CD1 3.69Å; F475-W505 AromaticContact CZ-NE1 3.81Å; I502-W505 HydrophobicContact CD1-CB 4.43Å; I502-W505 VanDerWaalsContact O-CB 3.31Å; I502-W505 WeakPolarHBondContact O-CB 3.48Å; I502-W505 PolarHBondContact O-N 3.08Å; I502-W505 VanDerWaalsContact O-N 3.09Å; W505-V507 PolarHBondContact O-N 3.16Å; W505-V507 VanDerWaalsContact O-N 3.12Å; W505-F508 WeakPolarHBondContact O-CB 3.15Å; W505-F508 WeakPolarHBondContact O-CD2 3.46Å; W505-F508 PolarHBondContact O-N 2.85Å; W505-I512 HydrophobicContact CE3-CD1 3.99Å; W505-I512 HydrophobicContact CZ3-CD1 3.76Å
506Y94.4Very high95.6Very high9 Ų963.9 Ų63.94%0.03532%0.32CS..G310 helixtrans-60.5-18175.8-60.8-77.9000113.9V435 V438 H472 F475 I476 L504 F508 W509V435-Y506 HydrophobicContact CG2-CD2 3.63Å; V435-Y506 HydrophobicContact CG2-CE2 3.79Å; V435-Y506 HydrophobicContact CG2-CG 4.19Å; V438-Y506 HydrophobicContact CB-CD1 4.26Å; V438-Y506 HydrophobicContact CG1-CD1 3.86Å; H472-Y506 AromaticContact CE1-CE1 3.76Å; H472-Y506 AromaticContact CE1-CZ 3.58Å; H472-Y506 PolarHBondContact CE1-OH 2.88Å; H472-Y506 PolarHBondContact ND1-OH 3.08Å; F475-Y506 HydrophobicContact CD1-CE2 4.49Å; F475-Y506 AromaticContact CE1-CE2 3.97Å; F475-Y506 HydrophobicContact CE1-CE2 3.97Å; I476-Y506 HydrophobicContact CG2-CE2 3.8Å; I476-Y506 WeakPolarHBondContact CG2-OH 3.46Å; L504-Y506 PolarHBondContact O-N 3.04Å; Y506-F508 PolarHBondContact O-N 3.46Å; Y506-W509 VanDerWaalsContact O-CB 3.22Å; Y506-W509 WeakPolarHBondContact O-CB 3.19Å; Y506-W509 PolarHBondContact O-N 3.17Å
507V95.7Very high95.4Very high85 Ų8568.1 Ų68.152%0.51534%0.339SS..G310 helixtrans-58.6-29.9172.2173.10000111L434 L504 W505 W509 P510L434-V507 HydrophobicContact CD1-CG2 4.43Å; L434-V507 HydrophobicContact CD2-CB 4.49Å; L434-V507 HydrophobicContact CD2-CG2 3.51Å; L504-V507 WeakPolarHBondContact O-CB 3.23Å; L504-V507 WeakPolarHBondContact O-CG2 3.47Å; L504-V507 PolarHBondContact O-N 3.41Å; W505-V507 PolarHBondContact O-N 3.16Å; W505-V507 VanDerWaalsContact O-N 3.12Å; V507-W509 PolarHBondContact O-N 2.92Å; V507-P510 VanDerWaalsContact O-CD 3.29Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å
508F96Very high95.2Very high119 Ų11971.5 Ų71.552%0.52235%0.35SS..G310 helixtrans-80.84.3178.2-58-66.7000113.8W505 Y506 P510 L511 I512W505-F508 WeakPolarHBondContact O-CB 3.15Å; W505-F508 WeakPolarHBondContact O-CD2 3.46Å; W505-F508 PolarHBondContact O-N 2.85Å; Y506-F508 PolarHBondContact O-N 3.46Å; F508-P510 VanDerWaalsContact C-CD 3.42Å; F508-P510 VanDerWaalsContact C-N 3.33Å; F508-L511 HydrophobicContact CD1-CD1 4.12Å; F508-L511 WeakPolarHBondContact O-CB 3.46Å; F508-L511 PolarHBondContact O-N 3.44Å; F508-I512 HydrophobicContact CB-CD1 4.1Å; F508-I512 WeakPolarHBondContact O-CG1 3.35Å; F508-I512 PolarHBondContact O-N 3.24Å; F508-I512 VanDerWaalsContact O-N 3.13Å
509W96.9Very high95.1Very high24 Ų2476.4 Ų76.49%0.09137%0.374CS..Hα-helixtrans-50.7-42.2178.8178.4-118.5000114.3V438 D441 F442 I445 Y506 V507 L511 I512 R513 V516V438-W509 HydrophobicContact CB-CB 4.37Å; V438-W509 HydrophobicContact CB-CG 4.17Å; V438-W509 HydrophobicContact CG1-CB 3.92Å; V438-W509 HydrophobicContact CG1-CD2 3.59Å; V438-W509 HydrophobicContact CG1-CE3 3.83Å; V438-W509 HydrophobicContact CG1-CG 3.62Å; V438-W509 HydrophobicContact CG2-CB 3.52Å; V438-W509 HydrophobicContact CG2-CG 3.67Å; D441-W509 HydrophobicContact CB-CZ2 4.45Å; D441-W509 PolarHBondContact OD2-NE1 2.89Å; F442-W509 HydrophobicContact CB-CH2 4.08Å; F442-W509 HydrophobicContact CB-CZ2 4.33Å; F442-W509 HydrophobicContact CD2-CH2 4.02Å; F442-W509 HydrophobicContact CD2-CZ3 4.45Å; I445-W509 HydrophobicContact CD1-CH2 4.37Å; I445-W509 HydrophobicContact CD1-CZ2 3.94Å; Y506-W509 VanDerWaalsContact O-CB 3.22Å; Y506-W509 WeakPolarHBondContact O-CB 3.19Å; Y506-W509 PolarHBondContact O-N 3.17Å; V507-W509 PolarHBondContact O-N 2.92Å; W509-L511 PolarHBondContact O-N 3.41Å; W509-L511 VanDerWaalsContact O-N 3.17Å; W509-I512 HydrophobicContact CE3-CB 4.27Å; W509-I512 HydrophobicContact CE3-CG2 4.22Å; W509-I512 HydrophobicContact CZ3-CG2 4.14Å; W509-I512 PolarHBondContact O-N 2.86Å; W509-I512 VanDerWaalsContact O-N 3.11Å; W509-R513 HydrophobicContact CD2-CB 4.15Å; W509-R513 HydrophobicContact CH2-CB 4.43Å; W509-R513 HydrophobicContact CZ2-CB 3.99Å; W509-R513 HydrophobicContact CZ2-CG 3.92Å; W509-R513 WeakPolarHBondContact O-CB 3.32Å; W509-R513 PolarHBondContact O-N 3.28Å; W509-V516 HydrophobicContact CH2-CB 4.04Å; W509-V516 HydrophobicContact CH2-CG1 4.04Å; W509-V516 HydrophobicContact CH2-CG2 3.97Å; W509-V516 HydrophobicContact CZ3-CB 4.38Å; W509-V516 HydrophobicContact CZ3-CG2 3.81Å
510P96Very high94.9Very high94 Ų9477.6 Ų77.661%0.6138%0.38SS*.Hα-helixtrans-57.4-31.3176.9-26.536.9000114.1V507 F508 P514V507-P510 VanDerWaalsContact O-CD 3.29Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å; F508-P510 VanDerWaalsContact C-CD 3.42Å; F508-P510 VanDerWaalsContact C-N 3.33Å; P510-P514 WeakPolarHBondContact O-CD 3.43Å
511L96.3Very high94.6Very high137 Ų13771.1 Ų71.172%0.71736%0.36SS*.Hα-helixtrans-80.9-34.7177.2-57.9177.3000112.2F508 W509 P514F508-L511 HydrophobicContact CD1-CD1 4.12Å; F508-L511 WeakPolarHBondContact O-CB 3.46Å; F508-L511 PolarHBondContact O-N 3.44Å; W509-L511 PolarHBondContact O-N 3.41Å; W509-L511 VanDerWaalsContact O-N 3.17Å; L511-P514 WeakPolarHBondContact O-CD 3.42Å
512I95.5Very high94.3Very high59 Ų5973 Ų7330%0.30338%0.378SS..Hα-helixtrans-81.1-30.8-177.7-62.9170.4000111.4W505 F508 W509 A515 V516W505-I512 HydrophobicContact CE3-CD1 3.99Å; W505-I512 HydrophobicContact CZ3-CD1 3.76Å; F508-I512 HydrophobicContact CB-CD1 4.1Å; F508-I512 WeakPolarHBondContact O-CG1 3.35Å; F508-I512 PolarHBondContact O-N 3.24Å; F508-I512 VanDerWaalsContact O-N 3.13Å; W509-I512 HydrophobicContact CE3-CB 4.27Å; W509-I512 HydrophobicContact CE3-CG2 4.22Å; W509-I512 HydrophobicContact CZ3-CG2 4.14Å; W509-I512 PolarHBondContact O-N 2.86Å; W509-I512 VanDerWaalsContact O-N 3.11Å; I512-A515 WeakPolarHBondContact O-CB 3.39Å; I512-A515 PolarHBondContact O-N 3.45Å; I512-A515 VanDerWaalsContact O-N 3.1Å; I512-V516 HydrophobicContact CG2-CG2 3.87Å; I512-V516 PolarHBondContact O-N 2.81Å
513R96.6Very high93.8Very high84 Ų8475 Ų7532%0.31739%0.388SS..Hα-helixtrans-55.9-43.6-173.8178.8-179.9-170.6-99.28114.4D441 I445 W509 A515 V516 K517D441-R513 IonicContact OD1-NE 3.75Å; D441-R513 IonicContact OD1-NH2 3.53Å; D441-R513 VanDerWaalsContact OD2-CD 3.29Å; D441-R513 WeakPolarHBondContact OD2-CD 3.36Å; D441-R513 IonicContact OD2-CZ 3.75Å; D441-R513 IonicContact OD2-NE 2.75Å; D441-R513 PolarHBondContact OD2-NE 3.46Å; D441-R513 IonicContact OD2-NH2 3.88Å; I445-R513 HydrophobicContact CD1-CG 4.3Å; W509-R513 HydrophobicContact CD2-CB 4.15Å; W509-R513 HydrophobicContact CH2-CB 4.43Å; W509-R513 HydrophobicContact CZ2-CB 3.99Å; W509-R513 HydrophobicContact CZ2-CG 3.92Å; W509-R513 WeakPolarHBondContact O-CB 3.32Å; W509-R513 PolarHBondContact O-N 3.28Å; R513-A515 VanDerWaalsContact C-N 3.33Å; R513-A515 PolarHBondContact O-N 2.84Å; R513-V516 PolarHBondContact O-N 3Å; R513-K517 VanDerWaalsContact CZ-CE 3.45Å; R513-K517 PolarHBondContact O-N 2.98Å
514P96.2Very high93.1Very high83 Ų8380.4 Ų80.454%0.53942%0.423SS..Hα-helixtrans-58.9-43175.5-24.635.1000112.7P510 L511 V516 K517 Y518P510-P514 WeakPolarHBondContact O-CD 3.43Å; L511-P514 WeakPolarHBondContact O-CD 3.42Å; P514-V516 VanDerWaalsContact C-N 3.34Å; P514-V516 PolarHBondContact O-N 3.38Å; P514-K517 PolarHBondContact O-N 3.14Å; P514-Y518 PolarHBondContact O-N 2.89Å
515A95.9Very high91.9Very high53 Ų5382.7 Ų82.744%0.43843%0.431SS..Hα-helixtrans-63.5-40.9176.400000111.4I512 R513 K517 Y518 L519I512-A515 WeakPolarHBondContact O-CB 3.39Å; I512-A515 PolarHBondContact O-N 3.45Å; I512-A515 VanDerWaalsContact O-N 3.1Å; R513-A515 VanDerWaalsContact C-N 3.33Å; R513-A515 PolarHBondContact O-N 2.84Å; A515-K517 PolarHBondContact O-N 2.98Å; A515-Y518 WeakPolarHBondContact O-CB 3.33Å; A515-Y518 PolarHBondContact O-N 3.34Å; A515-L519 WeakPolarHBondContact O-CG 3.22Å; A515-L519 PolarHBondContact O-N 2.88Å
516V95.8Very high90.4Very high20 Ų2080.7 Ų80.712%0.12143%0.431CS..Hα-helixtrans-63.3-40.6175.6175.30000111.9F442 I445 W509 I512 R513 P514 Y518 L519 L520F442-V516 HydrophobicContact CD2-CG1 4.04Å; F442-V516 HydrophobicContact CE2-CG1 4.1Å; I445-V516 HydrophobicContact CG2-CG1 4.3Å; W509-V516 HydrophobicContact CH2-CB 4.04Å; W509-V516 HydrophobicContact CH2-CG1 4.04Å; W509-V516 HydrophobicContact CH2-CG2 3.97Å; W509-V516 HydrophobicContact CZ3-CB 4.38Å; W509-V516 HydrophobicContact CZ3-CG2 3.81Å; I512-V516 HydrophobicContact CG2-CG2 3.87Å; I512-V516 PolarHBondContact O-N 2.81Å; R513-V516 PolarHBondContact O-N 3Å; P514-V516 VanDerWaalsContact C-N 3.34Å; P514-V516 PolarHBondContact O-N 3.38Å; V516-Y518 VanDerWaalsContact C-N 3.31Å; V516-Y518 PolarHBondContact O-N 3.38Å; V516-L519 PolarHBondContact O-N 2.84Å; V516-L520 HydrophobicContact CG1-CD1 3.86Å; V516-L520 HydrophobicContact CG1-CG 4.44Å; V516-L520 WeakPolarHBondContact O-CB 3.29Å; V516-L520 PolarHBondContact O-N 3.18Å
517K94.5Very high88.6Confident91 Ų9185.2 Ų85.240%0.39646%0.461SS..Hα-helixtrans-65.6-34.4175.3-77.1-172.3167.9-1700113I445 R513 P514 A515 L520I445-K517 HydrophobicContact CD1-CG 4.04Å; I445-K517 HydrophobicContact CG1-CG 4.43Å; I445-K517 HydrophobicContact CG2-CG 4.39Å; R513-K517 VanDerWaalsContact CZ-CE 3.45Å; R513-K517 PolarHBondContact O-N 2.98Å; P514-K517 PolarHBondContact O-N 3.14Å; A515-K517 PolarHBondContact O-N 2.98Å; K517-L520 CarbonylContact O-C 3.52Å
518Y93.3Very high86.6Confident198 Ų19884.9 Ų84.978%0.77646%0.463SS*.Hα-helixtrans-66.7-44.5174178-100.4000111.4P514 A515 V516P514-Y518 PolarHBondContact O-N 2.89Å; A515-Y518 WeakPolarHBondContact O-CB 3.33Å; A515-Y518 PolarHBondContact O-N 3.34Å; V516-Y518 VanDerWaalsContact C-N 3.31Å; V516-Y518 PolarHBondContact O-N 3.38Å
519L93.4Very high84.6Confident115 Ų11584.2 Ų84.260%0.60246%0.461SS*.Hα-helixtrans-71.2-30.7178.2-67.4173.7000113.3Y451 A515 V516 P521Y451-L519 WeakPolarHBondContact CE2-O 3.41Å; A515-L519 WeakPolarHBondContact O-CG 3.22Å; A515-L519 PolarHBondContact O-N 2.88Å; V516-L519 PolarHBondContact O-N 2.84Å; L519-P521 WeakPolarHBondContact O-CD 3.33Å
520L92.7Very high82.5Confident26 Ų2688.6 Ų88.614%0.13648%0.483CS..SBendtrans-115.269.9179.1-59.6178.5000110.3F442 I445 L446 Y451 V516 K517F442-L520 HydrophobicContact CE2-CD1 4.29Å; I445-L520 HydrophobicContact CG2-CB 4.02Å; I445-L520 HydrophobicContact CG2-CD1 4.25Å; L446-L520 HydrophobicContact CB-CD1 4.39Å; L446-L520 HydrophobicContact CD1-CD1 3.92Å; L446-L520 HydrophobicContact CD1-CD2 4.09Å; Y451-L520 HydrophobicContact CD2-CD2 3.64Å; Y451-L520 HydrophobicContact CE2-CD2 4.2Å; V516-L520 HydrophobicContact CG1-CD1 3.86Å; V516-L520 HydrophobicContact CG1-CG 4.44Å; V516-L520 WeakPolarHBondContact O-CB 3.29Å; V516-L520 PolarHBondContact O-N 3.18Å; K517-L520 CarbonylContact O-C 3.52Å
521P90.3Very high80.3Confident39 Ų3987.5 Ų87.525%0.25348%0.477SS..PPolyproline II helixtrans-64.4145.1-176.528.1-35.8000110.9S449 K450 L519S449-P521 CarbonylContact C-O 3.55Å; S449-P521 VanDerWaalsContact CA-O 3.23Å; S449-P521 WeakPolarHBondContact CA-O 3.37Å; S449-P521 WeakPolarHBondContact CB-O 3.39Å; K450-P521 HydrophobicContact CD-CG 3.68Å; K450-P521 VanDerWaalsContact CE-CG 3.49Å; K450-P521 HydrophobicContact CG-CG 4.06Å; K450-P521 PolarHBondContact N-O 3.33Å; L519-P521 WeakPolarHBondContact O-CD 3.33Å
522P89.8Confident78.1Confident97 Ų9783.7 Ų83.763%0.6346%0.462SS*.BIsolated β-bridgetrans-63.5154.9-179.127.8-34.5000111.5N448N448-P522 WeakPolarHBondContact O-CA 3.28Å
523L83.1Confident75.8Confident95 Ų9585.9 Ų85.950%0.49747%0.471SS..PPolyproline II helixtrans-56.2139.4169.2-76.3156.6000110N448 K525N448-L523 PolarHBondContact O-N 3.29Å; L523-K525 PolarHBondContact O-N 3.47Å
524P76.1Confident73.3Confident118 Ų11887 Ų8777%0.76648%0.482SS*.PPolyproline II helixtrans-55.4128.2171-18.529000109.1S526P524-S526 PolarHBondContact O-N 3.37Å
525K67.8Low70.8Confident100 Ų10086 Ų8644%0.43548%0.478SS..PPolyproline II helixtrans-57133.8171.7-68.4-176.3178.4176.40108.3L523 E529 Q530L523-K525 PolarHBondContact O-N 3.47Å; K525-E529 HydrophobicContact CB-CB 4.27Å; K525-Q530 HydrophobicContact CB-CG 4.31Å
526S62.6Low68.2Low49 Ų4988.5 Ų88.534%0.34349%0.487SS..PPolyproline II helixtrans-61.4153.6173.655.20000110.1P524 S528 E529 Q530P524-S526 PolarHBondContact O-N 3.37Å; S526-S528 PolarHBondContact O-N 3.48Å; S526-S528 PolarHBondContact OG-OG 2.9Å; S526-E529 PolarHBondContact O-N 3.39Å; S526-Q530 PolarHBondContact O-N 2.85Å
527P55.6Low65.8Low104 Ų10492.6 Ų92.668%0.67551%0.513SS*.Hα-helixtrans-52.7-32.4175.9-25.533.1000112.7E529 Q530 S531P527-E529 VanDerWaalsContact C-N 3.33Å; P527-E529 PolarHBondContact O-N 2.83Å; P527-Q530 PolarHBondContact O-N 2.95Å; P527-S531 PolarHBondContact O-N 3.21Å; P527-S531 PolarHBondContact O-OG 2.89Å
528S54.9Low63.4Low78 Ų7895.4 Ų95.455%0.54553%0.529SS..Hα-helixtrans-63.6-32.417763.50000114S526 S531 S532S526-S528 PolarHBondContact O-N 3.48Å; S526-S528 PolarHBondContact OG-OG 2.9Å; S528-S531 WeakPolarHBondContact CA-OG 3.38Å; S528-S531 PolarHBondContact O-OG 3.45Å; S528-S532 PolarHBondContact O-N 2.9Å
529E53.8Low60.9Low104 Ų10492.3 Ų92.349%0.48653%0.526SS..Hα-helixtrans-82.2-29.5174.7-77.1-173.9170.300112K525 S526 P527 S532 Q533K525-E529 HydrophobicContact CB-CB 4.27Å; S526-E529 PolarHBondContact O-N 3.39Å; P527-E529 VanDerWaalsContact C-N 3.33Å; P527-E529 PolarHBondContact O-N 2.83Å; E529-S532 PolarHBondContact O-OG 2.72Å; E529-Q533 PolarHBondContact O-N 3.2Å
530Q51.5Low58.1Low117 Ų11789.3 Ų89.355%0.54752%0.522SS..Hα-helixtrans-68.1-42.8171.9-72.5-177.8-15.200110.9K525 S526 P527 S532 Q533 L534K525-Q530 HydrophobicContact CB-CG 4.31Å; S526-Q530 PolarHBondContact O-N 2.85Å; P527-Q530 PolarHBondContact O-N 2.95Å; Q530-S532 PolarHBondContact O-N 3.01Å; Q530-Q533 PolarHBondContact O-N 3.41Å; Q530-L534 WeakPolarHBondContact O-CB 3.5Å; Q530-L534 PolarHBondContact O-N 3.39Å
531S50.3Low55.2Low70 Ų7095.3 Ų95.349%0.4956%0.555SS.*Hα-helixtrans-65.5-36.3177.155.80000112.4P527 S528 L534 S535P527-S531 PolarHBondContact O-N 3.21Å; P527-S531 PolarHBondContact O-OG 2.89Å; S528-S531 WeakPolarHBondContact CA-OG 3.38Å; S528-S531 PolarHBondContact O-OG 3.45Å; S531-L534 PolarHBondContact O-N 3.12Å; S531-S535 VanDerWaalsContact O-CB 3.31Å; S531-S535 WeakPolarHBondContact O-CB 3.28Å; S531-S535 PolarHBondContact O-N 3.14Å; S531-S535 PolarHBondContact O-OG 3.35Å
532S51.1Low52.4Low58 Ų5899.5 Ų99.541%0.40658%0.579SS.*Hα-helixtrans-65.9-41.7176.767.40000111.6S528 E529 Q530 S535 T536S528-S532 PolarHBondContact O-N 2.9Å; E529-S532 PolarHBondContact O-OG 2.72Å; Q530-S532 PolarHBondContact O-N 3.01Å; S532-S535 WeakPolarHBondContact CA-OG 3.27Å; S532-S535 PolarHBondContact O-N 3.02Å; S532-S535 PolarHBondContact O-OG 2.92Å; S532-T536 PolarHBondContact O-N 2.88Å; S532-T536 PolarHBondContact O-OG1 3.45Å
533Q47Very low49.4Very low105 Ų105100.4 Ų100.449%0.49158%0.583SS.*Hα-helixtrans-68.1-41.5174.2-69.7-163.7-40.700112.8E529 Q530 S535 T536 T537E529-Q533 PolarHBondContact O-N 3.2Å; Q530-Q533 PolarHBondContact O-N 3.41Å; Q533-S535 VanDerWaalsContact C-N 3.3Å; Q533-S535 PolarHBondContact O-N 3.49Å; Q533-T536 WeakPolarHBondContact CA-OG1 3.49Å; Q533-T536 PolarHBondContact O-N 2.97Å; Q533-T536 VanDerWaalsContact O-N 3.15Å; Q533-T536 PolarHBondContact O-OG1 2.92Å; Q533-T537 PolarHBondContact O-N 3.28Å; Q533-T537 PolarHBondContact O-OG1 3.46Å
534L44.1Very low46.8Very low107 Ų107100.5 Ų100.556%0.5659%0.59SS**Hα-helixtrans-62.4-40.7177.1-132.885.8000111.3Q530 S531 T536 T537 M538Q530-L534 WeakPolarHBondContact O-CB 3.5Å; Q530-L534 PolarHBondContact O-N 3.39Å; S531-L534 PolarHBondContact O-N 3.12Å; L534-T536 VanDerWaalsContact C-N 3.34Å; L534-T536 PolarHBondContact O-N 3.27Å; L534-T537 WeakPolarHBondContact CA-OG1 3.34Å; L534-T537 PolarHBondContact O-N 3.05Å; L534-T537 PolarHBondContact O-OG1 3.14Å; L534-M538 WeakPolarHBondContact O-CB 3.47Å; L534-M538 PolarHBondContact O-N 2.86Å
535S43.1Very low44.6Very low63 Ų63101.8 Ų101.844%0.44160%0.595SS.*Hα-helixtrans-67.1-32.4175.665.30000112.8S531 S532 Q533 N539S531-S535 VanDerWaalsContact O-CB 3.31Å; S531-S535 WeakPolarHBondContact O-CB 3.28Å; S531-S535 PolarHBondContact O-N 3.14Å; S531-S535 PolarHBondContact O-OG 3.35Å; S532-S535 WeakPolarHBondContact CA-OG 3.27Å; S532-S535 PolarHBondContact O-N 3.02Å; S532-S535 PolarHBondContact O-OG 2.92Å; Q533-S535 VanDerWaalsContact C-N 3.3Å; Q533-S535 PolarHBondContact O-N 3.49Å; S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.48Å
536T42.3Very low42.7Very low104 Ų104103.3 Ų103.364%0.63861%0.607SS**Hα-helixtrans-72.9-30174.11.70000112.4S532 Q533 L534S532-T536 PolarHBondContact O-N 2.88Å; S532-T536 PolarHBondContact O-OG1 3.45Å; Q533-T536 WeakPolarHBondContact CA-OG1 3.49Å; Q533-T536 PolarHBondContact O-N 2.97Å; Q533-T536 VanDerWaalsContact O-N 3.15Å; Q533-T536 PolarHBondContact O-OG1 2.92Å; L534-T536 VanDerWaalsContact C-N 3.34Å; L534-T536 PolarHBondContact O-N 3.27Å
537T44.2Very low41.1Very low106 Ų106107.2 Ų107.265%0.6562%0.623SS**Hα-helixtrans-81.7-29.1176.152.30000113.4Q533 L534Q533-T537 PolarHBondContact O-N 3.28Å; Q533-T537 PolarHBondContact O-OG1 3.46Å; L534-T537 WeakPolarHBondContact CA-OG1 3.34Å; L534-T537 PolarHBondContact O-N 3.05Å; L534-T537 PolarHBondContact O-OG1 3.14Å
538M45.2Very low39.8Very low151 Ų151111.2 Ų111.274%0.74463%0.633SS**Hα-helixtrans-84.6-33.4178.5-75.8-163.716000113L534 G540L534-M538 WeakPolarHBondContact O-CB 3.47Å; L534-M538 PolarHBondContact O-N 2.86Å; M538-G540 PolarHBondContact O-N 3.49Å
539N39.9Very low38.7Very low133 Ų133116.2 Ų116.271%0.71165%0.653SS**THydrogen-bonded Turntrans-88.134.4173.7-71.41000112.2S535 D541S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.48Å; N539-D541 PolarHBondContact O-N 2.95Å
540G34Very low37.5Very low51 Ų51116 Ų11653%0.52666%0.663SS.*  trans-67.528.1176.400000114.6M538 V542M538-G540 PolarHBondContact O-N 3.49Å; G540-V542 PolarHBondContact O-N 3.42Å; G540-V542 VanDerWaalsContact O-N 3.1Å
541D32.1Very low36.5Very low152 Ų152115.5 Ų115.581%0.81367%0.672SS**  trans-71.6102.1164.8-85.3-24.9000108.5N539 T543N539-D541 PolarHBondContact O-N 2.95Å; D541-T543 PolarHBondContact O-N 3.01Å
542V31Very low35.7Very low128 Ų128124.3 Ų124.378%0.77670%0.695SS**  trans-63.890.7173.3-1780000108.3G540 P544G540-V542 PolarHBondContact O-N 3.42Å; G540-V542 VanDerWaalsContact O-N 3.1Å; V542-P544 VanDerWaalsContact O-CD 3.26Å; V542-P544 WeakPolarHBondContact O-CD 3.34Å
543T27Very low34.7Very low116 Ų116131.2 Ų131.271%0.71272%0.717SS**  trans-89.9105154.247.40000108.1D541 V545D541-T543 PolarHBondContact O-N 3.01Å; T543-V545 PolarHBondContact O-N 2.98Å; T543-V545 VanDerWaalsContact O-N 3.14Å
544P29.3Very low33.9Very low97 Ų97135.5 Ų135.563%0.6374%0.737SS**  trans-67.2114174.128.8-31.7000108V542 I546V542-P544 VanDerWaalsContact O-CD 3.26Å; V542-P544 WeakPolarHBondContact O-CD 3.34Å; P544-I546 PolarHBondContact O-N 3.2Å
545V29.1Very low33.5Very low145 Ų145143.3 Ų143.388%0.87977%0.771SS**  trans-72.882.8172.3-178.10000107.6T543T543-V545 PolarHBondContact O-N 2.98Å; T543-V545 VanDerWaalsContact O-N 3.14Å
546I28.7Very low33Very low132 Ų132147.4 Ų147.468%0.67779%0.788SS**  trans-115.3130.5163.3-64176.6000105.9P544P544-I546 PolarHBondContact O-N 3.2Å
547D28.2Very low32.6Very low130 Ų130149.6 Ų149.670%0.69580%0.795SS**  trans73.584.5168.6-63.5-21.7000119.9
548Q29.6Very low31.9Very low189 Ų189152.1 Ų152.188%0.88380%0.804SS**  trans-139.918.2150.4-82.6-154.8-10.700116
549L30.4Very low31.1Very low183 Ų183152.1 Ų152.196%0.95881%0.807SS**SBendtrans-112.121.1179.2-81.6168.5000115.9
550S29.7Very low30.6Very low100 Ų100153.3 Ų153.370%0.69981%0.813SS**SBendtrans-125.441.3179.156.90000114.6
551S29.4Very low30.3Very low105 Ų105160.1 Ų160.173%0.73483%0.832SS**  trans-160.161.8167.658.60000115.2
552R33.4Very low30.2Very low256 Ų256160.7 Ų160.797%0.96683%0.834SS**  trans-13769152.3-85.2-166.9177.7173.5-0.9111.3
553K30.7Very low30.2Very low202 Ų202163.2 Ų163.288%0.87884%0.838SS**  trans-12793.8149.3-89.2-171.6175.7-177.50106
554Q31.2Very low30.4Very low195 Ų195167.2 Ų167.291%0.91185%0.849SS**  trans163.185.1155.7-93.81715.900108.7
555Q35.5Very low30.5Very low272 Ų272173.5 Ų173.5100%1.27187%0.868SS**  trans-159.40133-114.1178.5-5.500108.3

Retrieved 555 of 555 residues in 128.4 ms (Link to these results)

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