A0A5K4FB10_SCHMA Loading...

Protein-cysteine N-palmitoyltransferase HHAT AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FB10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 600 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
1M54.2Low71.6Confident212 Ų212100.7 Ų100.7100%1.04454%0.54SS*.  0-39.50-111.1174.5172.400112.2V3 K4M1-V3 PolarHBondContact O-N 3.02Å; M1-K4 PolarHBondContact O-N 3.42Å
2T53.9Low73.2Confident101 Ų10198.8 Ų98.862%0.6252%0.519SS*.Hα-helixtrans-51.2-50.4178.146.90000114.4K4 V5 E6T2-K4 VanDerWaalsContact C-N 3.28Å; T2-K4 PolarHBondContact O-N 3.1Å; T2-K4 VanDerWaalsContact O-N 3.17Å; T2-V5 WeakPolarHBondContact O-CB 3.47Å; T2-V5 PolarHBondContact O-N 2.88Å; T2-E6 PolarHBondContact O-N 3.42Å; T2-E6 VanDerWaalsContact O-N 3.07Å
3V61.3Low74.9Confident106 Ų10699.1 Ų99.164%0.64252%0.52SS*.Hα-helixtrans-57-36.5-178.8-177.20000113.4M1 V5 S7M1-V3 PolarHBondContact O-N 3.02Å; V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.42Å; V3-S7 PolarHBondContact O-N 3.41Å; V3-S7 VanDerWaalsContact O-N 3.15Å
4K60.5Low76.3Confident153 Ų15397.1 Ų97.167%0.66551%0.513SS*.Hα-helixtrans-76.2-17.7179.8-71.6-173.5179.3-179.80113.7M1 T2 R518M1-K4 PolarHBondContact O-N 3.42Å; T2-K4 VanDerWaalsContact C-N 3.28Å; T2-K4 PolarHBondContact O-N 3.1Å; T2-K4 VanDerWaalsContact O-N 3.17Å; K4-R518 PolarHBondContact O-NH1 3.49Å
5V64.6Low77.6Confident95 Ų9592.5 Ų92.558%0.57649%0.487SS*.Hα-helixtrans-85.7-43.61751780000109T2 V3 F8 L9T2-V5 WeakPolarHBondContact O-CB 3.47Å; T2-V5 PolarHBondContact O-N 2.88Å; V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.42Å; V5-F8 PolarHBondContact O-N 2.91Å; V5-L9 PolarHBondContact O-N 2.95Å
6E67.8Low78.7Confident119 Ų11990.5 Ų90.556%0.55648%0.475SS*.Hα-helixtrans-59.7-47.6177.3-71.5173.7-176.700112.2T2 F8 L9 V10T2-E6 PolarHBondContact O-N 3.42Å; T2-E6 VanDerWaalsContact O-N 3.07Å; E6-F8 VanDerWaalsContact C-N 3.26Å; E6-F8 PolarHBondContact O-N 2.82Å; E6-L9 PolarHBondContact O-N 3.34Å; E6-L9 VanDerWaalsContact O-N 3.15Å; E6-V10 WeakPolarHBondContact O-CG2 3.47Å; E6-V10 PolarHBondContact O-N 3.41Å
7S75.5Confident79.8Confident69 Ų6986.7 Ų86.748%0.48346%0.463SS..Hα-helixtrans-60.4-36.8-17973.70000112.9V3 E11V3-S7 PolarHBondContact O-N 3.41Å; V3-S7 VanDerWaalsContact O-N 3.15Å; S7-E11 WeakPolarHBondContact O-CB 3.47Å; S7-E11 PolarHBondContact O-N 2.94Å
8F80.9Confident80.7Confident31 Ų3184.4 Ų84.414%0.13645%0.451CS..Hα-helixtrans-76.1-32.9179.7-176.2-115.7000112.1V5 E6 R12V5-F8 PolarHBondContact O-N 2.91Å; E6-F8 VanDerWaalsContact C-N 3.26Å; E6-F8 PolarHBondContact O-N 2.82Å; F8-R12 HydrophobicContact CZ-CG 4.44Å; F8-R12 VanDerWaalsContact CZ-CZ 3.46Å; F8-R12 WeakPolarHBondContact O-CG 3.32Å; F8-R12 PolarHBondContact O-N 3.04Å; F8-R12 VanDerWaalsContact O-N 3.1Å
9L85.8Confident81.5Confident104 Ų10480.2 Ų80.255%0.54543%0.429SS..Hα-helixtrans-65.5-45.2172.4-172.670.6000110.7V5 E6 E11 R12 I13V5-L9 PolarHBondContact O-N 2.95Å; E6-L9 PolarHBondContact O-N 3.34Å; E6-L9 VanDerWaalsContact O-N 3.15Å; L9-E11 PolarHBondContact O-N 2.91Å; L9-R12 PolarHBondContact O-N 3.49Å; L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.02Å
10V91Very high82.1Confident87 Ų8781 Ų8153%0.52743%0.432SS..Hα-helixtrans-59.2-46.8176.1174.20000110.7E6 R12 I13 V14E6-V10 WeakPolarHBondContact O-CG2 3.47Å; E6-V10 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 2.99Å; V10-I13 PolarHBondContact O-N 3.45Å; V10-V14 HydrophobicContact CG1-CG2 4.46Å; V10-V14 WeakPolarHBondContact O-CG2 3.36Å; V10-V14 PolarHBondContact O-N 2.99Å
11E92.4Very high82.9Confident31 Ų3182.6 Ų82.615%0.14544%0.44CS..Hα-helixtrans-54.5-46.2175.4175.6-176.4175.100112.2S7 L9 V14 Y15 R522S7-E11 WeakPolarHBondContact O-CB 3.47Å; S7-E11 PolarHBondContact O-N 2.94Å; L9-E11 PolarHBondContact O-N 2.91Å; E11-V14 PolarHBondContact O-N 3.49Å; E11-Y15 HydrophobicContact CG-CD2 4.05Å; E11-Y15 HydrophobicContact CG-CE1 4.31Å; E11-Y15 HydrophobicContact CG-CE2 3.33Å; E11-Y15 VanDerWaalsContact CG-CZ 3.48Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 VanDerWaalsContact O-CG 3.3Å; E11-Y15 PolarHBondContact O-N 3.18Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.32Å; E11-Y15 PolarHBondContact OE1-OH 3.31Å; E11-R522 IonicContact OE1-CZ 2.87Å; E11-R522 IonicContact OE1-NE 2.64Å; E11-R522 PolarHBondContact OE1-NE 2.94Å; E11-R522 IonicContact OE1-NH2 2.63Å; E11-R522 PolarHBondContact OE1-NH2 3.41Å; E11-R522 IonicContact OE2-CZ 3.52Å; E11-R522 IonicContact OE2-NE 2.6Å; E11-R522 IonicContact OE2-NH2 2.91Å; E11-R522 PolarHBondContact OE2-NH2 2.84Å
12R91Very high84.9Confident78 Ų7874.4 Ų74.429%0.29440%0.4SS..Hα-helixtrans-65.3-42.3177.7-74.2178.1150.3172.41.3112.8F8 L9 V10 V14 Y15 I16 D579F8-R12 HydrophobicContact CZ-CG 4.44Å; F8-R12 VanDerWaalsContact CZ-CZ 3.46Å; F8-R12 WeakPolarHBondContact O-CG 3.32Å; F8-R12 PolarHBondContact O-N 3.04Å; F8-R12 VanDerWaalsContact O-N 3.1Å; L9-R12 PolarHBondContact O-N 3.49Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 2.99Å; R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 3.21Å; R12-Y15 PolarHBondContact O-N 3.44Å; R12-I16 VanDerWaalsContact O-CG1 3.28Å; R12-I16 WeakPolarHBondContact O-CG1 3.24Å; R12-I16 PolarHBondContact O-N 3.05Å; R12-D579 WeakPolarHBondContact CD-OD2 3.19Å; R12-D579 WeakPolarHBondContact CG-OD2 3.41Å; R12-D579 IonicContact CZ-OD1 2.76Å; R12-D579 IonicContact CZ-OD2 3.98Å; R12-D579 VanDerWaalsContact NE-CG 3.34Å; R12-D579 IonicContact NE-OD1 3.72Å; R12-D579 PolarHBondContact NE-OD1 3.24Å; R12-D579 IonicContact NE-OD2 3.92Å; R12-D579 PolarHBondContact NE-OD2 2.68Å; R12-D579 IonicContact NH2-OD1 2.94Å; R12-D579 PolarHBondContact NH2-OD1 2.84Å; R12-D579 IonicContact NH2-OD2 3.41Å
13I94.4Very high86.8Confident102 Ų10270.1 Ų70.152%0.52337%0.374SS..Hα-helixtrans-60.1-42.6175.8-68.9165.9000110L9 V10 I16 G17L9-I13 HydrophobicContact CG-CD1 4.04Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.02Å; V10-I13 PolarHBondContact O-N 3.45Å; I13-I16 PolarHBondContact O-N 3.49Å; I13-G17 PolarHBondContact O-N 3.28Å
14V95.6Very high88.5Confident71 Ų7168.5 Ų68.543%0.4337%0.367SS..Hα-helixtrans-62.1-45.5176171.60000111.1V10 E11 R12 I16 G17 I18V10-V14 HydrophobicContact CG1-CG2 4.46Å; V10-V14 WeakPolarHBondContact O-CG2 3.36Å; V10-V14 PolarHBondContact O-N 2.99Å; E11-V14 PolarHBondContact O-N 3.49Å; R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 3.21Å; V14-I16 PolarHBondContact O-N 3.13Å; V14-G17 PolarHBondContact O-N 2.95Å; V14-I18 HydrophobicContact CG1-CD1 3.72Å; V14-I18 HydrophobicContact CG1-CG1 4.37Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.17Å
15Y95.5Very high90.3Very high29 Ų2967.3 Ų67.311%0.11436%0.359CS..Hα-helixtrans-60.9-44.4177-63.8-28.3000112.7E11 R12 I18 A19 Y571 C572 N575E11-Y15 HydrophobicContact CG-CD2 4.05Å; E11-Y15 HydrophobicContact CG-CE1 4.31Å; E11-Y15 HydrophobicContact CG-CE2 3.33Å; E11-Y15 VanDerWaalsContact CG-CZ 3.48Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 VanDerWaalsContact O-CG 3.3Å; E11-Y15 PolarHBondContact O-N 3.18Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.32Å; E11-Y15 PolarHBondContact OE1-OH 3.31Å; R12-Y15 PolarHBondContact O-N 3.44Å; Y15-I18 PolarHBondContact O-N 3.16Å; Y15-A19 WeakPolarHBondContact O-CB 3.35Å; Y15-A19 PolarHBondContact O-N 2.91Å; Y15-Y571 HydrophobicContact CE1-CD1 4.19Å; Y15-Y571 AromaticContact CE1-CE1 3.68Å; Y15-Y571 HydrophobicContact CE1-CE1 3.68Å; Y15-Y571 AromaticContact CZ-CE1 3.63Å; Y15-Y571 WeakPolarHBondContact OH-CE1 3.36Å; Y15-Y571 PolarHBondContact OH-OH 3.07Å; Y15-C572 HydrophobicContact CD1-CB 4.27Å; Y15-N575 HydrophobicContact CD2-CB 3.43Å; Y15-N575 VanDerWaalsContact CD2-CB 3.43Å; Y15-N575 VanDerWaalsContact CD2-CG 3.49Å; Y15-N575 WeakPolarHBondContact CD2-OD1 3.28Å; Y15-N575 HydrophobicContact CE2-CB 3.96Å; Y15-N575 VanDerWaalsContact CE2-CG 3.45Å; Y15-N575 WeakPolarHBondContact CE2-OD1 3.35Å; Y15-N575 HydrophobicContact CG-CB 3.81Å
16I95.2Very high91.8Very high60 Ų6063.4 Ų63.431%0.30834%0.336SS..Hα-helixtrans-62.1-46.7175.8-65.9166.6000110.1R12 I13 V14 I18 A19 L20 F576R12-I16 VanDerWaalsContact O-CG1 3.28Å; R12-I16 WeakPolarHBondContact O-CG1 3.24Å; R12-I16 PolarHBondContact O-N 3.05Å; I13-I16 PolarHBondContact O-N 3.49Å; V14-I16 PolarHBondContact O-N 3.13Å; I16-I18 PolarHBondContact O-N 3.26Å; I16-A19 PolarHBondContact O-N 3.29Å; I16-L20 HydrophobicContact CG2-CD1 3.96Å; I16-L20 WeakPolarHBondContact O-CG 3.3Å; I16-L20 PolarHBondContact O-N 3.27Å; I16-L20 VanDerWaalsContact O-N 3.08Å; I16-F576 HydrophobicContact CD1-CD2 4.34Å; I16-F576 HydrophobicContact CG1-CB 4.49Å; I16-F576 HydrophobicContact CG1-CD2 3.62Å; I16-F576 HydrophobicContact CG1-CE2 4.07Å; I16-F576 HydrophobicContact CG1-CG 4.22Å; I16-F576 HydrophobicContact CG2-CE2 4.46Å
17G96.5Very high93.2Very high26 Ų2660.3 Ų60.327%0.26832%0.323SS..Hα-helixtrans-56.6-51177.900000111.9I13 V14 A19 L20 I21I13-G17 PolarHBondContact O-N 3.28Å; V14-G17 PolarHBondContact O-N 2.95Å; G17-A19 PolarHBondContact O-N 2.89Å; G17-L20 PolarHBondContact O-N 3.25Å; G17-I21 VanDerWaalsContact O-CB 3.3Å; G17-I21 WeakPolarHBondContact O-CB 3.29Å; G17-I21 WeakPolarHBondContact O-CD1 3.07Å; G17-I21 WeakPolarHBondContact O-CG1 3.04Å; G17-I21 PolarHBondContact O-N 3.26Å
18I96.5Very high94.3Very high46 Ų4663.3 Ų63.324%0.23633%0.325CS..Hα-helixtrans-63.5-43.5179-68.1172.1000111.5V14 Y15 I16 L20 I21 I22 V568 C572V14-I18 HydrophobicContact CG1-CD1 3.72Å; V14-I18 HydrophobicContact CG1-CG1 4.37Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.17Å; Y15-I18 PolarHBondContact O-N 3.16Å; I16-I18 PolarHBondContact O-N 3.26Å; I18-L20 PolarHBondContact O-N 3.19Å; I18-I21 PolarHBondContact O-N 3.22Å; I18-I22 HydrophobicContact CG2-CD1 3.57Å; I18-I22 HydrophobicContact CG2-CG1 4.2Å; I18-I22 PolarHBondContact O-N 3.17Å; I18-I22 VanDerWaalsContact O-N 3.14Å; I18-V568 HydrophobicContact CD1-CG1 4.35Å; I18-V568 HydrophobicContact CG2-CG1 4.04Å; I18-C572 HydrophobicContact CB-CB 3.97Å; I18-C572 HydrophobicContact CG2-CB 3.78Å
19A95.1Very high95Very high4 Ų464.5 Ų64.53%0.03333%0.33CS..Hα-helixtrans-61-26.9178.800000113Y15 I16 G17 P23 F576Y15-A19 WeakPolarHBondContact O-CB 3.35Å; Y15-A19 PolarHBondContact O-N 2.91Å; I16-A19 PolarHBondContact O-N 3.29Å; G17-A19 PolarHBondContact O-N 2.89Å; A19-P23 WeakPolarHBondContact O-CD 3.3Å; A19-P23 VanDerWaalsContact O-CG 3.27Å; A19-P23 WeakPolarHBondContact O-CG 3.43Å; A19-F576 HydrophobicContact CB-CB 4.26Å; A19-F576 HydrophobicContact CB-CD1 4.1Å
20L95.2Very high95.5Very high95 Ų9559.6 Ų59.650%0.49730%0.304SS..Hα-helixtrans-93.8-40.6177-64.5176.2000113.3I16 G17 I18 S24I16-L20 HydrophobicContact CG2-CD1 3.96Å; I16-L20 WeakPolarHBondContact O-CG 3.3Å; I16-L20 PolarHBondContact O-N 3.27Å; I16-L20 VanDerWaalsContact O-N 3.08Å; G17-L20 PolarHBondContact O-N 3.25Å; I18-L20 PolarHBondContact O-N 3.19Å; L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 3.14Å
21I97.1Very high95.8Very high115 Ų11559.3 Ų59.359%0.5930%0.296SS*.Hα-helixtrans-69.2-47-175-70165.4000111.1G17 I18 S24 Y25G17-I21 VanDerWaalsContact O-CB 3.3Å; G17-I21 WeakPolarHBondContact O-CB 3.29Å; G17-I21 WeakPolarHBondContact O-CD1 3.07Å; G17-I21 WeakPolarHBondContact O-CG1 3.04Å; G17-I21 PolarHBondContact O-N 3.26Å; I18-I21 PolarHBondContact O-N 3.22Å; I21-S24 PolarHBondContact O-N 3Å; I21-Y25 WeakPolarHBondContact O-CB 3.34Å; I21-Y25 PolarHBondContact O-N 3.47Å
22I96.1Very high96Very high40 Ų4061.5 Ų61.521%0.20531%0.308CS..Hα-helixtrans-62.2-51.8-175.5-68.6177.8000111.4I18 S26 T565 Y569I18-I22 HydrophobicContact CG2-CD1 3.57Å; I18-I22 HydrophobicContact CG2-CG1 4.2Å; I18-I22 PolarHBondContact O-N 3.17Å; I18-I22 VanDerWaalsContact O-N 3.14Å; I22-S26 VanDerWaalsContact O-CB 3.3Å; I22-S26 WeakPolarHBondContact O-CB 3.47Å; I22-S26 PolarHBondContact O-N 3.21Å; I22-S26 PolarHBondContact O-OG 3.37Å; I22-T565 HydrophobicContact CD1-CG2 4.22Å; I22-T565 HydrophobicContact CG2-CG2 4.44Å; I22-Y569 HydrophobicContact CB-CD2 4.16Å; I22-Y569 HydrophobicContact CG2-CD2 4.14Å; I22-Y569 HydrophobicContact CG2-CG 4.27Å
23P95.4Very high96.1Very high11 Ų1158.5 Ų58.57%0.07130%0.299CS..Hα-helixtrans-62.2-42.8175.8-25.937.1000112.7A19 Y25 S26 I27 Y331 Y569A19-P23 WeakPolarHBondContact O-CD 3.3Å; A19-P23 VanDerWaalsContact O-CG 3.27Å; A19-P23 WeakPolarHBondContact O-CG 3.43Å; P23-Y25 PolarHBondContact O-N 3.31Å; P23-S26 PolarHBondContact O-N 2.93Å; P23-I27 WeakPolarHBondContact O-CB 3.41Å; P23-I27 WeakPolarHBondContact O-CD1 3.5Å; P23-I27 WeakPolarHBondContact O-CG1 3.47Å; P23-I27 PolarHBondContact O-N 3.2Å; P23-Y331 HydrophobicContact CB-CE1 4.21Å; P23-Y569 HydrophobicContact CG-CD2 4.03Å; P23-Y569 HydrophobicContact CG-CE2 3.25Å
24S96.7Very high96.1Very high73 Ų7353.6 Ų53.651%0.5127%0.274SS..Hα-helixtrans-60.4-46.2179.5-62.20000112.2L20 I21 I27 Y28L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 3.14Å; I21-S24 PolarHBondContact O-N 3Å; S24-I27 PolarHBondContact O-N 2.83Å; S24-Y28 PolarHBondContact O-N 3.13Å
25Y97.1Very high96Very high128 Ų12854.9 Ų54.950%0.50227%0.273SS..Hα-helixtrans-65-40.8176.7-176.9-103.1000111.8I21 P23 I27 Y28 K29I21-Y25 WeakPolarHBondContact O-CB 3.34Å; I21-Y25 PolarHBondContact O-N 3.47Å; P23-Y25 PolarHBondContact O-N 3.31Å; Y25-I27 VanDerWaalsContact C-N 3.35Å; Y25-I27 PolarHBondContact O-N 3.37Å; Y25-Y28 WeakPolarHBondContact O-CB 3.42Å; Y25-Y28 PolarHBondContact O-N 2.98Å; Y25-K29 HydrophobicContact CD1-CG 4.31Å; Y25-K29 HydrophobicContact CE1-CD 4.49Å; Y25-K29 HydrophobicContact CE1-CG 3.96Å; Y25-K29 WeakPolarHBondContact O-CG 3.19Å; Y25-K29 PolarHBondContact O-N 2.9Å; Y25-K29 WeakPolarHBondContact OH-CE 3.42Å
26S97.1Very high95.8Very high13 Ų1355.4 Ų55.49%0.09128%0.281CS..Hα-helixtrans-62.2-42.2176.2-59.30000111.4I22 P23 Y28 K29 L30 G324 A328I22-S26 VanDerWaalsContact O-CB 3.3Å; I22-S26 WeakPolarHBondContact O-CB 3.47Å; I22-S26 PolarHBondContact O-N 3.21Å; I22-S26 PolarHBondContact O-OG 3.37Å; P23-S26 PolarHBondContact O-N 2.93Å; S26-Y28 VanDerWaalsContact C-N 3.34Å; S26-K29 WeakPolarHBondContact O-CB 2.87Å; S26-K29 PolarHBondContact O-N 3.16Å; S26-L30 PolarHBondContact O-N 2.92Å; S26-G324 VanDerWaalsContact CB-O 3.28Å; S26-G324 WeakPolarHBondContact CB-O 3.3Å; S26-A328 WeakPolarHBondContact O-CB 3.48Å
27I97.5Very high95.4Very high53 Ų5356.9 Ų56.927%0.27230%0.297SS..Hα-helixtrans-65.8-39.2177.2-68.7165.1000110.5P23 S24 Y25 L30 F31 A328 Y331 L332P23-I27 WeakPolarHBondContact O-CB 3.41Å; P23-I27 WeakPolarHBondContact O-CD1 3.5Å; P23-I27 WeakPolarHBondContact O-CG1 3.47Å; P23-I27 PolarHBondContact O-N 3.2Å; S24-I27 PolarHBondContact O-N 2.83Å; Y25-I27 VanDerWaalsContact C-N 3.35Å; Y25-I27 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-F31 WeakPolarHBondContact O-CB 3.48Å; I27-F31 PolarHBondContact O-N 3.43Å; I27-A328 HydrophobicContact CG1-CB 4.17Å; I27-Y331 HydrophobicContact CD1-CE1 4.4Å; I27-L332 HydrophobicContact CD1-CD2 4.12Å; I27-L332 HydrophobicContact CG1-CD1 4.2Å; I27-L332 HydrophobicContact CG1-CD2 4.38Å; I27-L332 HydrophobicContact CG1-CG 4.37Å
28Y97.5Very high94.9Very high133 Ų13360.4 Ų60.452%0.52231%0.313SS..Hα-helixtrans-61.6-41.9173.2170.9-107.4000112.3S24 Y25 S26 F31 I32S24-Y28 PolarHBondContact O-N 3.13Å; Y25-Y28 WeakPolarHBondContact O-CB 3.42Å; Y25-Y28 PolarHBondContact O-N 2.98Å; S26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-F31 WeakPolarHBondContact O-CB 3.35Å; Y28-F31 PolarHBondContact O-N 3.27Å; Y28-I32 HydrophobicContact CD1-CD1 4.1Å; Y28-I32 HydrophobicContact CE1-CD1 3.48Å; Y28-I32 VanDerWaalsContact CE1-CD1 3.48Å; Y28-I32 HydrophobicContact CE1-CG1 4.45Å; Y28-I32 HydrophobicContact CE2-CD1 4.14Å; Y28-I32 HydrophobicContact CE2-CG1 4.31Å; Y28-I32 PolarHBondContact O-N 3.19Å
29K96.6Very high94.6Very high56 Ų5658.8 Ų58.824%0.24331%0.305CS..Hα-helixtrans-60.5-48.2173-74.2-64.1-154.4-179.80112.2Y25 S26 F31 I32 S33 D322 T325Y25-K29 HydrophobicContact CD1-CG 4.31Å; Y25-K29 HydrophobicContact CE1-CD 4.49Å; Y25-K29 HydrophobicContact CE1-CG 3.96Å; Y25-K29 WeakPolarHBondContact O-CG 3.19Å; Y25-K29 PolarHBondContact O-N 2.9Å; Y25-K29 WeakPolarHBondContact OH-CE 3.42Å; S26-K29 WeakPolarHBondContact O-CB 2.87Å; S26-K29 PolarHBondContact O-N 3.16Å; K29-F31 VanDerWaalsContact C-N 3.25Å; K29-F31 PolarHBondContact O-N 3.41Å; K29-I32 PolarHBondContact O-N 2.8Å; K29-I32 VanDerWaalsContact O-N 3.13Å; K29-S33 PolarHBondContact O-N 3.07Å; K29-S33 PolarHBondContact O-OG 2.75Å; K29-D322 VanDerWaalsContact CB-OD1 3.26Å; K29-D322 WeakPolarHBondContact CB-OD1 3.27Å; K29-D322 WeakPolarHBondContact CD-OD1 3.31Å; K29-D322 WeakPolarHBondContact CG-OD1 3.41Å; K29-T325 PolarHBondContact O-OG1 3.37Å
30L96.6Very high94.3Very high0 Ų061.6 Ų61.60%032%0.319CS..Hα-helixtrans-58.7-37.8174.4176.764.7000112S26 I27 S33 S34 V291 P293 F296 T325 A328 L332S26-L30 PolarHBondContact O-N 2.92Å; I27-L30 PolarHBondContact O-N 3.27Å; L30-S33 PolarHBondContact O-N 2.65Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; L30-S34 PolarHBondContact O-OG 3.49Å; L30-V291 HydrophobicContact CD2-CB 3.99Å; L30-V291 HydrophobicContact CD2-CG2 4.41Å; L30-V291 HydrophobicContact CG-CB 4.16Å; L30-V291 HydrophobicContact CG-CG1 4.42Å; L30-P293 HydrophobicContact CD2-CB 4.04Å; L30-F296 HydrophobicContact CD1-CB 4.17Å; L30-F296 HydrophobicContact CD1-CD2 3.44Å; L30-F296 VanDerWaalsContact CD1-CD2 3.44Å; L30-F296 HydrophobicContact CD1-CE2 4.02Å; L30-F296 HydrophobicContact CD1-CG 3.87Å; L30-T325 HydrophobicContact CD1-CG2 3.88Å; L30-T325 PolarHBondContact N-OG1 3.04Å; L30-A328 HydrophobicContact CB-CB 3.78Å; L30-A328 HydrophobicContact CD2-CB 3.89Å; L30-A328 HydrophobicContact CG-CB 4.46Å; L30-L332 HydrophobicContact CD2-CD1 3.75Å
31F96.6Very high93.8Very high81 Ų8164.2 Ų64.236%0.35533%0.333SS..Hα-helixtrans-61.3-48.3174.4171.2-97.7000111.7I27 Y28 K29 S33 S34 K35 I290 V291I27-F31 WeakPolarHBondContact O-CB 3.48Å; I27-F31 PolarHBondContact O-N 3.43Å; Y28-F31 WeakPolarHBondContact O-CB 3.35Å; Y28-F31 PolarHBondContact O-N 3.27Å; K29-F31 VanDerWaalsContact C-N 3.25Å; K29-F31 PolarHBondContact O-N 3.41Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3.12Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 2.91Å; F31-S34 VanDerWaalsContact O-N 3.17Å; F31-K35 HydrophobicContact CD2-CG 4.39Å; F31-K35 HydrophobicContact CE1-CG 4.41Å; F31-K35 HydrophobicContact CE2-CD 4.4Å; F31-K35 HydrophobicContact CE2-CG 4.01Å; F31-K35 HydrophobicContact CZ-CG 4.02Å; F31-K35 WeakPolarHBondContact O-CG 2.91Å; F31-K35 PolarHBondContact O-N 2.95Å; F31-I290 HydrophobicContact CD2-CG2 3.78Å; F31-I290 HydrophobicContact CE2-CG2 3.98Å; F31-V291 HydrophobicContact CB-CG1 3.87Å; F31-V291 HydrophobicContact CD2-CG1 4.38Å
32I95.9Very high93.4Very high78 Ų7862.4 Ų62.440%0.432%0.324SS..Hα-helixtrans-56.9-49.7175-65.6168.3000110.2Y28 K29 S34 K35 S36Y28-I32 HydrophobicContact CD1-CD1 4.1Å; Y28-I32 HydrophobicContact CE1-CD1 3.48Å; Y28-I32 VanDerWaalsContact CE1-CD1 3.48Å; Y28-I32 HydrophobicContact CE1-CG1 4.45Å; Y28-I32 HydrophobicContact CE2-CD1 4.14Å; Y28-I32 HydrophobicContact CE2-CG1 4.31Å; Y28-I32 PolarHBondContact O-N 3.19Å; K29-I32 PolarHBondContact O-N 2.8Å; K29-I32 VanDerWaalsContact O-N 3.13Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3.15Å; I32-K35 PolarHBondContact O-N 3.41Å; I32-K35 VanDerWaalsContact O-N 3.1Å; I32-S36 PolarHBondContact O-N 3.04Å
33S94.4Very high93.2Very high14 Ų1461.2 Ų61.210%0.09832%0.319CS..Hα-helixtrans-62.1-35.2179.2-67.90000112.5K29 L30 F31 K35 S36 N39 F296 T325K29-S33 PolarHBondContact O-N 3.07Å; K29-S33 PolarHBondContact O-OG 2.75Å; L30-S33 PolarHBondContact O-N 2.65Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3.12Å; S33-K35 VanDerWaalsContact C-N 3.3Å; S33-K35 PolarHBondContact O-N 3.14Å; S33-S36 WeakPolarHBondContact O-CB 3.48Å; S33-S36 PolarHBondContact O-N 3.25Å; S33-N39 WeakPolarHBondContact O-CB 3.35Å; S33-N39 PolarHBondContact O-ND2 3.35Å; S33-F296 WeakPolarHBondContact O-CZ 3.49Å; S33-T325 PolarHBondContact OG-OG1 3.15Å; S33-T325 VanDerWaalsContact OG-OG1 3.05Å
34S94.1Very high93Very high0 Ų068.2 Ų68.20%034%0.344CS..Hα-helixtrans-69.5-23.9176.5-61.70000113.2L30 F31 I32 L40 Y292L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; L30-S34 PolarHBondContact O-OG 3.49Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 2.91Å; F31-S34 VanDerWaalsContact O-N 3.17Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3.15Å; S34-L40 WeakPolarHBondContact O-CD2 3.48Å; S34-Y292 VanDerWaalsContact CB-CD2 3.48Å; S34-Y292 VanDerWaalsContact O-CE2 3.28Å; S34-Y292 WeakPolarHBondContact O-CE2 3.26Å; S34-Y292 PolarHBondContact OG-N 3.19Å
35K92.7Very high92.7Very high97 Ų9766.4 Ų66.442%0.42233%0.328SS..Hα-helixtrans-96.5-4.6177.1-58.7-51.5177.3-167.10113.8F31 I32 S33 S37 I290F31-K35 HydrophobicContact CD2-CG 4.39Å; F31-K35 HydrophobicContact CE1-CG 4.41Å; F31-K35 HydrophobicContact CE2-CD 4.4Å; F31-K35 HydrophobicContact CE2-CG 4.01Å; F31-K35 HydrophobicContact CZ-CG 4.02Å; F31-K35 WeakPolarHBondContact O-CG 2.91Å; F31-K35 PolarHBondContact O-N 2.95Å; I32-K35 PolarHBondContact O-N 3.41Å; I32-K35 VanDerWaalsContact O-N 3.1Å; S33-K35 VanDerWaalsContact C-N 3.3Å; S33-K35 PolarHBondContact O-N 3.14Å; K35-S37 PolarHBondContact O-N 3.4Å; K35-I290 PolarHBondContact NZ-O 3.47Å
36S91.2Very high92.5Very high41 Ų4166.1 Ų66.129%0.28733%0.329SS..  trans-65.8124.2174.7177.30000111.2I32 S33 V38 N39 L40I32-S36 PolarHBondContact O-N 3.04Å; S33-S36 WeakPolarHBondContact O-CB 3.48Å; S33-S36 PolarHBondContact O-N 3.25Å; S36-V38 PolarHBondContact O-N 3.34Å; S36-N39 PolarHBondContact O-N 2.88Å; S36-N39 VanDerWaalsContact O-N 3.09Å; S36-L40 WeakPolarHBondContact O-CG 3.33Å; S36-L40 PolarHBondContact O-N 2.95Å; S36-L40 VanDerWaalsContact O-N 3.11Å
37S88Confident92.1Very high90 Ų9070.6 Ų70.663%0.62935%0.352SS*.Hα-helixtrans-58-34.8177.653.80000113K35 N39K35-S37 PolarHBondContact O-N 3.4Å; S37-N39 VanDerWaalsContact C-N 3.34Å
38V86.1Confident91.6Very high100 Ų10070.2 Ų70.261%0.60635%0.352SS*.Hα-helixtrans-63.2-42.8177.1-178.90000110.8S36S36-V38 PolarHBondContact O-N 3.34Å
39N88.6Confident91Very high13 Ų1368.1 Ų68.17%0.0736%0.357CS..Hα-helixtrans-76.3-36.2-175.1-64.6-15000111.7S33 S36 S37 N41 L42 L43 F296 L319S33-N39 WeakPolarHBondContact O-CB 3.35Å; S33-N39 PolarHBondContact O-ND2 3.35Å; S36-N39 PolarHBondContact O-N 2.88Å; S36-N39 VanDerWaalsContact O-N 3.09Å; S37-N39 VanDerWaalsContact C-N 3.34Å; N39-N41 PolarHBondContact O-N 2.96Å; N39-L42 WeakPolarHBondContact O-CB 3.33Å; N39-L42 PolarHBondContact O-N 3.42Å; N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 2.79Å; N39-F296 HydrophobicContact CB-CE1 4.43Å; N39-F296 HydrophobicContact CB-CZ 4.02Å; N39-L319 WeakPolarHBondContact OD1-CD1 3.37Å
40L88.9Confident90Very high63 Ų6371.7 Ų71.733%0.3338%0.378SS..Hα-helixtrans-52.4-34.1-175-76.9172.1000113.5S34 S36 L42 L43 L45 Y292S34-L40 WeakPolarHBondContact O-CD2 3.48Å; S36-L40 WeakPolarHBondContact O-CG 3.33Å; S36-L40 PolarHBondContact O-N 2.95Å; S36-L40 VanDerWaalsContact O-N 3.11Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.48Å; L40-L43 HydrophobicContact CD2-CD1 4.34Å; L40-L43 PolarHBondContact O-N 3.43Å; L40-L45 HydrophobicContact CD2-CD1 3.94Å; L40-Y292 HydrophobicContact CD2-CE2 3.83Å
41N86.3Confident88.9Confident149 Ų14974.7 Ų74.780%0.79740%0.399SS*.THydrogen-bonded Turntrans-70.3-20.4178.7-67.5-19.3000113.8N39N39-N41 PolarHBondContact O-N 2.96Å
42L88.1Confident87.9Confident77 Ų7780 Ų8040%0.40343%0.425SS..THydrogen-bonded Turntrans-92.6-14.3179.5-57174.7000112.4N39 L40 L299 L319N39-L42 WeakPolarHBondContact O-CB 3.33Å; N39-L42 PolarHBondContact O-N 3.42Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.48Å; L42-L299 HydrophobicContact CB-CD1 3.85Å; L42-L299 HydrophobicContact CB-CD2 4.41Å; L42-L319 HydrophobicContact CD1-CB 4.4Å; L42-L319 HydrophobicContact CD1-CD1 4.18Å
43L91.2Very high87.1Confident16 Ų1683.7 Ų83.78%0.08445%0.446CS..SBendtrans-87144.4-173.6-55.6179.5000111.5N39 L40 L45 Y292 F296 L299N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 2.79Å; L40-L43 HydrophobicContact CD2-CD1 4.34Å; L40-L43 PolarHBondContact O-N 3.43Å; L43-L45 HydrophobicContact CB-CD1 4.24Å; L43-L45 HydrophobicContact CB-CD2 4Å; L43-L45 HydrophobicContact CB-CG 3.86Å; L43-L45 PolarHBondContact O-N 3Å; L43-Y292 HydrophobicContact CD1-CD2 3.27Å; L43-Y292 HydrophobicContact CD1-CE2 3.95Å; L43-Y292 HydrophobicContact CD1-CG 4.07Å; L43-F296 HydrophobicContact CD1-CE2 3.96Å; L43-F296 HydrophobicContact CD1-CZ 4.35Å; L43-F296 HydrophobicContact CD2-CD2 4.02Å; L43-F296 HydrophobicContact CD2-CE1 4.39Å; L43-F296 HydrophobicContact CD2-CE2 3.85Å; L43-F296 HydrophobicContact CD2-CG 4.35Å; L43-F296 HydrophobicContact CD2-CZ 4.03Å; L43-L299 HydrophobicContact CD2-CD1 3.64Å
44R91.3Very high86.6Confident158 Ų15886.7 Ų86.760%0.59646%0.46SS*.  trans-90.788.8176.1-175.5170174.2-1731.7109.4A60 A61 S295R44-A60 PolarHBondContact O-N 3.18Å; R44-A61 HydrophobicContact CB-CB 4.15Å; R44-S295 PolarHBondContact N-OG 3.06Å; R44-S295 VanDerWaalsContact N-OG 3.15Å; R44-S295 PolarHBondContact O-OG 3.4Å
45L91.9Very high86.3Confident34 Ų3490.6 Ų90.618%0.17848%0.484CS..EExtended strand (participates in β ladder)trans-105.8149-177.5-53.5179.7000111.6L40 L43 M57 Q58 Y292L40-L45 HydrophobicContact CD2-CD1 3.94Å; L43-L45 HydrophobicContact CB-CD1 4.24Å; L43-L45 HydrophobicContact CB-CD2 4Å; L43-L45 HydrophobicContact CB-CG 3.86Å; L43-L45 PolarHBondContact O-N 3Å; L45-M57 HydrophobicContact CB-CB 4.25Å; L45-M57 HydrophobicContact CB-CE 3.88Å; L45-M57 HydrophobicContact CB-SD 3.89Å; L45-M57 HydrophobicContact CD1-CB 4.09Å; L45-M57 HydrophobicContact CD1-CE 4.45Å; L45-M57 HydrophobicContact CD1-CG 4.46Å; L45-Q58 CarbonylContact C-O 3.59Å; L45-Q58 WeakPolarHBondContact CA-O 3.15Å; L45-Y292 HydrophobicContact CD1-CE2 4.06Å; L45-Y292 HydrophobicContact CD2-CD1 3.8Å; L45-Y292 HydrophobicContact CD2-CD2 4.1Å; L45-Y292 HydrophobicContact CD2-CE1 3.98Å; L45-Y292 HydrophobicContact CD2-CE2 4.21Å; L45-Y292 HydrophobicContact CD2-CG 3.84Å
46K91.6Very high86.2Confident122 Ų12288.9 Ų88.953%0.5348%0.479SS..EExtended strand (participates in β ladder)trans-126138.5173.4-176.6178.3177.2179.20109.7V48 Q58 A60K46-V48 PolarHBondContact O-N 3.22Å; K46-Q58 PolarHBondContact N-O 3.01Å; K46-Q58 PolarHBondContact O-N 3.46Å; K46-A60 HydrophobicContact CB-CB 3.59Å
47N89.7Confident86.3Confident108 Ų10890.8 Ų90.858%0.57848%0.484SS*.EExtended strand (participates in β ladder)trans-66.6127.8171.7-75.8-30.5000110.5V55 M57N47-V55 HydrophobicContact CB-CG1 3.72Å; N47-M57 PolarHBondContact OD1-SD 3.25Å
48V87.1Confident86.6Confident44 Ų4487.5 Ų87.527%0.26746%0.459SS..EExtended strand (participates in β ladder)trans-125.5121.9173.7177.60000108.1K46 L56 Q58K46-V48 PolarHBondContact O-N 3.22Å; V48-L56 PolarHBondContact N-O 3.4Å; V48-L56 PolarHBondContact O-N 3.37Å; V48-Q58 HydrophobicContact CB-CB 4.41Å; V48-Q58 HydrophobicContact CG2-CB 3.68Å
49S83.6Confident87Confident90 Ų9082.7 Ų82.763%0.62943%0.43SS*.EExtended strand (participates in β ladder)trans-82.6119172.745.40000110
50L75.2Confident87.3Confident130 Ų13082.6 Ų82.668%0.68143%0.431SS*.EExtended strand (participates in β ladder)trans-84.3-33168.8-169.969.8000110.8L54L50-L54 HydrophobicContact CB-CD2 4.2Å; L50-L54 HydrophobicContact CD2-CD2 3.85Å; L50-L54 PolarHBondContact N-O 2.95Å
51S73.7Confident87.5Confident64 Ų6480 Ų8045%0.44842%0.418SS..EExtended strand (participates in β ladder)trans-147.7173.3172.769.80000108.6N53 L54S51-N53 PolarHBondContact O-N 3.48Å; S51-L54 PolarHBondContact O-N 3.3Å; S51-L54 PolarHBondContact OG-N 3Å
52Q75.7Confident87.8Confident193 Ų19373.5 Ų73.590%0.90238%0.383SS*.THydrogen-bonded Turntrans-54.1-28.1178.6-70.8176.1-19.300113.2
53N80.3Confident87.8Confident155 Ų15571.3 Ų71.383%0.82937%0.372SS*.THydrogen-bonded Turntrans-108.6-9.6-174.4-62.1-15.8000114S51S51-N53 PolarHBondContact O-N 3.48Å
54L84.2Confident87.8Confident77 Ų7773.2 Ų73.240%0.40338%0.38SS..EExtended strand (participates in β ladder)trans-117.894.9-177.4-169.972000110.4L50 S51 L56L50-L54 HydrophobicContact CB-CD2 4.2Å; L50-L54 HydrophobicContact CD2-CD2 3.85Å; L50-L54 PolarHBondContact N-O 2.95Å; S51-L54 PolarHBondContact O-N 3.3Å; S51-L54 PolarHBondContact OG-N 3Å; L54-L56 HydrophobicContact CD1-CD2 4.14Å; L54-L56 HydrophobicContact CD2-CD1 4.32Å; L54-L56 HydrophobicContact CD2-CG 4.42Å; L54-L56 HydrophobicContact CG-CD2 4.24Å; L54-L56 HydrophobicContact CG-CG 4.15Å
55V87.6Confident87.9Confident82 Ų8266.4 Ų66.450%0.49735%0.354SS..EExtended strand (participates in β ladder)trans-96.6118.9169.9-177.50000108.2N47N47-V55 HydrophobicContact CB-CG1 3.72Å
56L90.5Very high87.8Confident61 Ų6166.3 Ų66.332%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-109.1147.7174.5-62177.3000109.4V48 L54 C289V48-L56 PolarHBondContact N-O 3.4Å; V48-L56 PolarHBondContact O-N 3.37Å; L54-L56 HydrophobicContact CD1-CD2 4.14Å; L54-L56 HydrophobicContact CD2-CD1 4.32Å; L54-L56 HydrophobicContact CD2-CG 4.42Å; L54-L56 HydrophobicContact CG-CD2 4.24Å; L54-L56 HydrophobicContact CG-CG 4.15Å; L56-C289 HydrophobicContact CB-CB 4.22Å; L56-C289 HydrophobicContact CD1-CB 4.18Å
57M92.2Very high87.8Confident81 Ų8160.8 Ų60.840%0.39933%0.332SS..EExtended strand (participates in β ladder)trans-80.7126167.7-75.9-67.2-126.200109.3L45 N47 C289L45-M57 HydrophobicContact CB-CB 4.25Å; L45-M57 HydrophobicContact CB-CE 3.88Å; L45-M57 HydrophobicContact CB-SD 3.89Å; L45-M57 HydrophobicContact CD1-CB 4.09Å; L45-M57 HydrophobicContact CD1-CE 4.45Å; L45-M57 HydrophobicContact CD1-CG 4.46Å; N47-M57 PolarHBondContact OD1-SD 3.25Å; M57-C289 WeakPolarHBondContact O-CA 3.2Å
58Q94.6Very high87.9Confident20 Ų2055.9 Ų55.99%0.09331%0.306CS..EExtended strand (participates in β ladder)trans-112.1142.2175.4-176.4171.873.100110.6L45 K46 V48 A60 S285 L288L45-Q58 CarbonylContact C-O 3.59Å; L45-Q58 WeakPolarHBondContact CA-O 3.15Å; K46-Q58 PolarHBondContact N-O 3.01Å; K46-Q58 PolarHBondContact O-N 3.46Å; V48-Q58 HydrophobicContact CB-CB 4.41Å; V48-Q58 HydrophobicContact CG2-CB 3.68Å; Q58-A60 PolarHBondContact O-N 3.41Å; Q58-A60 VanDerWaalsContact O-N 3.16Å; Q58-S285 PolarHBondContact NE2-O 2.66Å; Q58-S285 PolarHBondContact NE2-OG 3.29Å; Q58-L288 HydrophobicContact CG-CB 3.82Å
59D95.7Very high88.1Confident0 Ų058.2 Ų58.20%032%0.322CS..EExtended strand (participates in β ladder)trans-60.9112.9170.6-168.8-4000111.7A61 L288 Y292 N294 S295D59-A61 WeakPolarHBondContact OD1-CB 3.34Å; D59-A61 PolarHBondContact OD1-N 2.91Å; D59-L288 HydrophobicContact CB-CB 4.4Å; D59-L288 HydrophobicContact CB-CD2 4.35Å; D59-L288 PolarHBondContact N-O 2.93Å; D59-Y292 HydrophobicContact CB-CD1 3.98Å; D59-Y292 HydrophobicContact CB-CG 4.48Å; D59-Y292 VanDerWaalsContact OD2-CA 3.27Å; D59-Y292 WeakPolarHBondContact OD2-CA 3.27Å; D59-N294 WeakPolarHBondContact OD2-CA 3.46Å; D59-N294 VanDerWaalsContact OD2-CB 3.24Å; D59-N294 WeakPolarHBondContact OD2-CB 3.41Å; D59-N294 PolarHBondContact OD2-N 3.29Å; D59-S295 WeakPolarHBondContact OD1-CB 3.19Å; D59-S295 PolarHBondContact OD1-N 2.93Å; D59-S295 PolarHBondContact OD1-OG 2.94Å; D59-S295 PolarHBondContact OD2-N 3.16Å
60A93.3Very high88.5Confident10 Ų1055.7 Ų55.78%0.08330%0.301CS..  trans-113.818.7-176.800000112.2R44 K46 Q58 E62 T66R44-A60 PolarHBondContact O-N 3.18Å; K46-A60 HydrophobicContact CB-CB 3.59Å; Q58-A60 PolarHBondContact O-N 3.41Å; Q58-A60 VanDerWaalsContact O-N 3.16Å; A60-E62 VanDerWaalsContact C-N 3.33Å; A60-T66 HydrophobicContact CB-CG2 4.12Å
61A93.2Very high89.4Confident8 Ų849.8 Ų49.87%0.06627%0.269CS..  trans-73-23.9179.200000113.7R44 D59 N294 Y298R44-A61 HydrophobicContact CB-CB 4.15Å; D59-A61 WeakPolarHBondContact OD1-CB 3.34Å; D59-A61 PolarHBondContact OD1-N 2.91Å; A61-N294 HydrophobicContact CB-CB 3.87Å; A61-Y298 HydrophobicContact CB-CD2 3.87Å; A61-Y298 HydrophobicContact CB-CE2 4.1Å; A61-Y298 WeakPolarHBondContact O-CE2 3.33Å
62E92.7Very high90.3Very high14 Ų1449.1 Ų49.17%0.06526%0.26CS..  trans-88.6112.7172.2174.852.3-93.800110.8A60 Q64 W65 T66 N294 R333 I340A60-E62 VanDerWaalsContact C-N 3.33Å; E62-Q64 HydrophobicContact CG-CB 4.34Å; E62-Q64 PolarHBondContact OE1-N 2.97Å; E62-W65 HydrophobicContact CB-CB 4.26Å; E62-W65 HydrophobicContact CG-CB 4.02Å; E62-W65 PolarHBondContact O-N 2.88Å; E62-T66 PolarHBondContact O-N 3.25Å; E62-N294 HydrophobicContact CB-CB 4.3Å; E62-R333 IonicContact OE2-CZ 3.64Å; E62-R333 IonicContact OE2-NH1 3.32Å; E62-R333 PolarHBondContact OE2-NH1 3.24Å; E62-R333 IonicContact OE2-NH2 3.94Å; E62-R333 PolarHBondContact OE2-NH2 3.39Å; E62-I340 HydrophobicContact CG-CD1 3.69Å
63L89.3Confident91.1Very high31 Ų3142.4 Ų42.416%0.16224%0.235CC..Hα-helixtrans-63.2-42.3-179.8-178.565.4000112.6W65 T66 L67 Y167 M171L63-W65 PolarHBondContact O-N 3.32Å; L63-T66 PolarHBondContact O-N 3.38Å; L63-T66 PolarHBondContact O-OG1 3.47Å; L63-L67 WeakPolarHBondContact O-CG 3.15Å; L63-L67 PolarHBondContact O-N 2.96Å; L63-L67 VanDerWaalsContact O-N 3.08Å; L63-Y167 HydrophobicContact CD1-CD1 3.85Å; L63-Y167 HydrophobicContact CD1-CE1 3.49Å; L63-Y167 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y167 HydrophobicContact CD2-CD1 4.39Å; L63-Y167 HydrophobicContact CD2-CE1 3.35Å; L63-Y167 WeakPolarHBondContact CD2-OH 3.47Å; L63-Y167 HydrophobicContact CG-CE1 4.03Å; L63-M171 HydrophobicContact CD2-CE 3.98Å; L63-M171 HydrophobicContact CD2-CG 3.98Å; L63-M171 HydrophobicContact CD2-SD 4.16Å
64Q91Very high91.8Very high56 Ų5635.3 Ų35.326%0.26220%0.196SC..Hα-helixtrans-61.5-31.6-179.2-68.6178.58.100112.2E62 L67 L68 I340E62-Q64 HydrophobicContact CG-CB 4.34Å; E62-Q64 PolarHBondContact OE1-N 2.97Å; Q64-L67 WeakPolarHBondContact O-CB 3.35Å; Q64-L67 PolarHBondContact O-N 3.34Å; Q64-L68 PolarHBondContact O-N 2.87Å; Q64-I340 HydrophobicContact CB-CD1 3.96Å; Q64-I340 HydrophobicContact CB-CG2 4.16Å
65W92.9Very high92.3Very high14 Ų1432.3 Ų32.35%0.05318%0.181CC..Hα-helixtrans-70-37.9174-177-104.4000111.7E62 L63 L67 L68 P69 W284 L288 H336 I339 I340E62-W65 HydrophobicContact CB-CB 4.26Å; E62-W65 HydrophobicContact CG-CB 4.02Å; E62-W65 PolarHBondContact O-N 2.88Å; L63-W65 PolarHBondContact O-N 3.32Å; W65-L67 PolarHBondContact O-N 3.35Å; W65-L68 HydrophobicContact CE3-CD2 3.86Å; W65-L68 HydrophobicContact CH2-CD2 3.96Å; W65-L68 HydrophobicContact CZ3-CD2 3.5Å; W65-L68 VanDerWaalsContact O-CB 3.3Å; W65-L68 WeakPolarHBondContact O-CB 3.3Å; W65-L68 PolarHBondContact O-N 3.34Å; W65-L68 VanDerWaalsContact O-N 3.14Å; W65-P69 WeakPolarHBondContact O-CD 3.43Å; W65-W284 HydrophobicContact CH2-CB 4.33Å; W65-W284 AromaticContact CH2-CD1 3.98Å; W65-W284 AromaticContact CZ3-CD1 3.97Å; W65-L288 HydrophobicContact CD2-CD1 4.11Å; W65-L288 HydrophobicContact CG-CD1 4.34Å; W65-L288 HydrophobicContact CZ2-CD1 4.05Å; W65-H336 WeakPolarHBondContact CB-NE2 3.38Å; W65-H336 AromaticContact CD2-CE1 3.98Å; W65-H336 AromaticContact CG-CE1 3.83Å; W65-H336 AromaticContact CG-NE2 3.82Å; W65-I339 HydrophobicContact CZ3-CG2 4.08Å; W65-I340 HydrophobicContact CB-CD1 4.26Å; W65-I340 HydrophobicContact CE3-CG1 3.91Å
66T90.4Very high92.7Very high32 Ų3232.2 Ų32.220%0.19618%0.182CC..Hα-helixtrans-69.8-22.4176.262.50000112.8A60 E62 L63 L68 P69A60-T66 HydrophobicContact CB-CG2 4.12Å; E62-T66 PolarHBondContact O-N 3.25Å; L63-T66 PolarHBondContact O-N 3.38Å; L63-T66 PolarHBondContact O-OG1 3.47Å; T66-L68 VanDerWaalsContact C-N 3.35Å; T66-P69 WeakPolarHBondContact O-CD 3.45Å
67L91Very high93Very high7 Ų733.6 Ų33.64%0.03718%0.184CC..Hα-helixtrans-73.8-24.1171-60.1177.9000113.2L63 Q64 W65 L70 W71 D168 M171L63-L67 WeakPolarHBondContact O-CG 3.15Å; L63-L67 PolarHBondContact O-N 2.96Å; L63-L67 VanDerWaalsContact O-N 3.08Å; Q64-L67 WeakPolarHBondContact O-CB 3.35Å; Q64-L67 PolarHBondContact O-N 3.34Å; W65-L67 PolarHBondContact O-N 3.35Å; L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 3.28Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L67-W71 PolarHBondContact O-N 3.3Å; L67-D168 VanDerWaalsContact CD2-CA 3.4Å; L67-D168 HydrophobicContact CD2-CB 3.56Å; L67-D168 WeakPolarHBondContact CD2-O 3.41Å; L67-M171 HydrophobicContact CD1-CB 3.71Å; L67-M171 HydrophobicContact CD1-CG 4.48Å; L67-M171 HydrophobicContact CD2-CB 4.17Å
68L92Very high93.2Very high5 Ų530.2 Ų30.23%0.02617%0.167CC..Hα-helixtrans-59.2-44.2-170.5-177.865.7000113.2Q64 W65 T66 L70 W71 M72 Q343 F344Q64-L68 PolarHBondContact O-N 2.87Å; W65-L68 HydrophobicContact CE3-CD2 3.86Å; W65-L68 HydrophobicContact CH2-CD2 3.96Å; W65-L68 HydrophobicContact CZ3-CD2 3.5Å; W65-L68 VanDerWaalsContact O-CB 3.3Å; W65-L68 WeakPolarHBondContact O-CB 3.3Å; W65-L68 PolarHBondContact O-N 3.34Å; W65-L68 VanDerWaalsContact O-N 3.14Å; T66-L68 VanDerWaalsContact C-N 3.35Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.81Å; L68-W71 HydrophobicContact CD1-CE3 4.06Å; L68-W71 HydrophobicContact CD1-CZ3 4.49Å; L68-W71 PolarHBondContact O-N 3.4Å; L68-M72 HydrophobicContact CD1-CG 3.8Å; L68-M72 HydrophobicContact CD1-SD 4.29Å; L68-M72 HydrophobicContact CG-CG 3.93Å; L68-M72 VanDerWaalsContact O-CB 3.23Å; L68-M72 WeakPolarHBondContact O-CB 3.38Å; L68-M72 WeakPolarHBondContact O-CG 3.06Å; L68-M72 PolarHBondContact O-N 2.96Å; L68-Q343 HydrophobicContact CD1-CB 3.62Å; L68-Q343 HydrophobicContact CD1-CG 4.13Å; L68-Q343 HydrophobicContact CD2-CB 4.37Å; L68-Q343 HydrophobicContact CD2-CG 3.96Å; L68-F344 HydrophobicContact CD1-CD1 4.37Å; L68-F344 HydrophobicContact CD1-CE1 4.01Å
69P91.5Very high93.3Very high93 Ų9332.3 Ų32.360%0.60418%0.179SC*.Hα-helixtrans-58.6-40.5176.1-25.735.7000113.6W65 T66 M72 S73W65-P69 WeakPolarHBondContact O-CD 3.43Å; T66-P69 WeakPolarHBondContact O-CD 3.45Å; P69-M72 PolarHBondContact O-N 3.27Å; P69-S73 PolarHBondContact O-N 3.31Å; P69-S73 VanDerWaalsContact O-N 3.09Å
70L92.2Very high93.3Very high37 Ų3737.7 Ų37.719%0.19421%0.207CC..Hα-helixtrans-63.5-49.6176.2174.459.6000110.3L67 L68 M72 S73 F74 D168 W169 I172L67-L70 WeakPolarHBondContact O-CB 3.16Å; L67-L70 PolarHBondContact O-N 3.28Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 2.81Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-M72 PolarHBondContact O-N 2.75Å; L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 2.94Å; L70-S73 PolarHBondContact O-N 3.47Å; L70-S73 VanDerWaalsContact O-N 3.16Å; L70-S73 PolarHBondContact O-OG 3.5Å; L70-F74 HydrophobicContact CD1-CE1 4.42Å; L70-F74 HydrophobicContact CD1-CZ 4.48Å; L70-F74 HydrophobicContact CG-CZ 4.49Å; L70-D168 HydrophobicContact CD2-CB 4.04Å; L70-W169 HydrophobicContact CD1-CH2 3.95Å; L70-W169 HydrophobicContact CD1-CZ2 3.63Å; L70-W169 HydrophobicContact CD2-CD2 3.99Å; L70-W169 HydrophobicContact CD2-CE3 4.32Å; L70-W169 HydrophobicContact CD2-CG 4.35Å; L70-W169 HydrophobicContact CD2-CZ2 4.46Å; L70-I172 HydrophobicContact CB-CD1 4.44Å; L70-I172 HydrophobicContact CD2-CD1 3.53Å; L70-I172 HydrophobicContact CG-CD1 3.77Å
71W92.5Very high93.4Very high5 Ų537.6 Ų37.62%0.01921%0.205CC..Hα-helixtrans-63.8-39.1178.1-17889.1000113L67 L68 S73 F74 V75 L231 Q343 F344 W347 P348L67-W71 PolarHBondContact O-N 3.3Å; L68-W71 HydrophobicContact CD1-CE3 4.06Å; L68-W71 HydrophobicContact CD1-CZ3 4.49Å; L68-W71 PolarHBondContact O-N 3.4Å; W71-S73 PolarHBondContact O-N 2.82Å; W71-F74 VanDerWaalsContact O-CB 3.26Å; W71-F74 WeakPolarHBondContact O-CB 3.22Å; W71-F74 WeakPolarHBondContact O-CG 3.01Å; W71-F74 PolarHBondContact O-N 3.24Å; W71-V75 HydrophobicContact CZ3-CG2 4.42Å; W71-L231 VanDerWaalsContact CD1-O 3.27Å; W71-L231 PolarHBondContact NE1-O 2.96Å; W71-Q343 VanDerWaalsContact CH2-O 3.24Å; W71-Q343 WeakPolarHBondContact CH2-O 3.44Å; W71-F344 HydrophobicContact CB-CE1 3.91Å; W71-F344 AromaticContact CD2-CD1 3.6Å; W71-F344 HydrophobicContact CD2-CD1 3.6Å; W71-F344 AromaticContact CD2-CE1 3.83Å; W71-F344 HydrophobicContact CD2-CE1 3.83Å; W71-F344 AromaticContact CE2-CD1 3.76Å; W71-F344 AromaticContact CE3-CD1 3.86Å; W71-F344 HydrophobicContact CE3-CD1 3.86Å; W71-F344 HydrophobicContact CE3-CE1 4.15Å; W71-F344 AromaticContact CG-CD1 3.93Å; W71-F344 HydrophobicContact CG-CD1 3.93Å; W71-F344 AromaticContact CG-CE1 3.71Å; W71-F344 HydrophobicContact CG-CE1 3.71Å; W71-F344 HydrophobicContact CH2-CD1 4.27Å; W71-F344 HydrophobicContact CZ2-CD1 4.11Å; W71-F344 WeakPolarHBondContact CZ2-O 3.42Å; W71-F344 HydrophobicContact CZ3-CD1 4.19Å; W71-W347 HydrophobicContact CH2-CB 3.76Å; W71-W347 AromaticContact CH2-CD1 3.99Å; W71-W347 HydrophobicContact CH2-CG 4.22Å; W71-W347 HydrophobicContact CZ3-CB 4.18Å; W71-W347 AromaticContact CZ3-CD1 3.64Å; W71-W347 HydrophobicContact CZ3-CG 4.17Å; W71-P348 HydrophobicContact CH2-CG 4.36Å; W71-P348 HydrophobicContact CZ2-CG 4.01Å
72M92.6Very high93.6Very high50 Ų5037.2 Ų37.225%0.24620%0.202CC..Hα-helixtrans-63-26.9176.1-76.5-60-6400112.4L68 P69 L70 F74 V75 W347L68-M72 HydrophobicContact CD1-CG 3.8Å; L68-M72 HydrophobicContact CD1-SD 4.29Å; L68-M72 HydrophobicContact CG-CG 3.93Å; L68-M72 VanDerWaalsContact O-CB 3.23Å; L68-M72 WeakPolarHBondContact O-CB 3.38Å; L68-M72 WeakPolarHBondContact O-CG 3.06Å; L68-M72 PolarHBondContact O-N 2.96Å; P69-M72 PolarHBondContact O-N 3.27Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-M72 PolarHBondContact O-N 2.75Å; M72-F74 PolarHBondContact O-N 3.07Å; M72-V75 HydrophobicContact CE-CG2 4.16Å; M72-V75 WeakPolarHBondContact O-CB 3.46Å; M72-V75 PolarHBondContact O-N 3.3Å; M72-V75 VanDerWaalsContact O-N 3.15Å; M72-V75 HydrophobicContact SD-CG2 4.03Å; M72-W347 HydrophobicContact CE-CD2 4.34Å; M72-W347 VanDerWaalsContact CE-CE2 3.49Å; M72-W347 HydrophobicContact CE-CZ2 3.65Å; M72-W347 VanDerWaalsContact CE-NE1 3.35Å; M72-W347 VanDerWaalsContact SD-CD1 3.59Å; M72-W347 HydrophobicContact SD-CG 4.39Å; M72-W347 PolarHBondContact SD-NE1 3.02Å
73S93.8Very high93.7Very high53 Ų5339.5 Ų39.537%0.37121%0.214SC..THydrogen-bonded Turntrans-62-19.4172.682.40000113P69 L70 W71 P76 Y77P69-S73 PolarHBondContact O-N 3.31Å; P69-S73 VanDerWaalsContact O-N 3.09Å; L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 2.94Å; L70-S73 PolarHBondContact O-N 3.47Å; L70-S73 VanDerWaalsContact O-N 3.16Å; L70-S73 PolarHBondContact O-OG 3.5Å; W71-S73 PolarHBondContact O-N 2.82Å; S73-P76 WeakPolarHBondContact O-CD 3.46Å; S73-Y77 VanDerWaalsContact O-CD2 3.27Å; S73-Y77 WeakPolarHBondContact O-CD2 3.31Å; S73-Y77 WeakPolarHBondContact O-CE2 3.22Å
74F94.5Very high94.1Very high5 Ų539.3 Ų39.32%0.02222%0.217CC..THydrogen-bonded Turntrans-80.3-22177.4-53.7-19.9000113.1L70 W71 M72 Y77 L78 L112 W169 I172 L231L70-F74 HydrophobicContact CD1-CE1 4.42Å; L70-F74 HydrophobicContact CD1-CZ 4.48Å; L70-F74 HydrophobicContact CG-CZ 4.49Å; W71-F74 VanDerWaalsContact O-CB 3.26Å; W71-F74 WeakPolarHBondContact O-CB 3.22Å; W71-F74 WeakPolarHBondContact O-CG 3.01Å; W71-F74 PolarHBondContact O-N 3.24Å; M72-F74 PolarHBondContact O-N 3.07Å; F74-Y77 PolarHBondContact O-N 2.97Å; F74-Y77 VanDerWaalsContact O-N 3.08Å; F74-L78 HydrophobicContact CB-CD1 4.39Å; F74-L78 WeakPolarHBondContact O-CG 3.43Å; F74-L78 PolarHBondContact O-N 3.45Å; F74-L112 HydrophobicContact CB-CD1 4.22Å; F74-L112 HydrophobicContact CD1-CD1 4.46Å; F74-L112 HydrophobicContact CD1-CD2 3.81Å; F74-L112 HydrophobicContact CE1-CD2 4.4Å; F74-L112 HydrophobicContact CG-CD1 4.25Å; F74-L112 HydrophobicContact CG-CD2 4.38Å; F74-W169 AromaticContact CE1-CH2 3.85Å; F74-W169 HydrophobicContact CE1-CH2 3.85Å; F74-W169 HydrophobicContact CE1-CZ3 4.17Å; F74-W169 AromaticContact CZ-CH2 3.78Å; F74-W169 HydrophobicContact CZ-CH2 3.78Å; F74-W169 AromaticContact CZ-CZ3 3.62Å; F74-W169 HydrophobicContact CZ-CZ3 3.62Å; F74-I172 HydrophobicContact CE2-CD1 4.4Å; F74-I172 HydrophobicContact CE2-CG2 4.46Å; F74-L231 HydrophobicContact CD2-CD1 4.09Å; F74-L231 HydrophobicContact CE2-CD1 4Å
75V95.1Very high94.3Very high15 Ų1536.7 Ų36.79%0.09120%0.204CC..Hα-helixtrans-56.2-45.8-173.8170.50000113.2W71 M72 Y77 L78 L79 W347 L351W71-V75 HydrophobicContact CZ3-CG2 4.42Å; M72-V75 HydrophobicContact CE-CG2 4.16Å; M72-V75 WeakPolarHBondContact O-CB 3.46Å; M72-V75 PolarHBondContact O-N 3.3Å; M72-V75 VanDerWaalsContact O-N 3.15Å; M72-V75 HydrophobicContact SD-CG2 4.03Å; V75-Y77 VanDerWaalsContact C-N 3.3Å; V75-Y77 PolarHBondContact O-N 2.99Å; V75-L78 PolarHBondContact O-N 3.37Å; V75-L79 PolarHBondContact O-N 3.11Å; V75-W347 HydrophobicContact CG1-CD2 4.08Å; V75-W347 HydrophobicContact CG1-CE3 3.58Å; V75-W347 HydrophobicContact CG1-CZ3 3.84Å; V75-W347 HydrophobicContact CG2-CB 4.13Å; V75-W347 HydrophobicContact CG2-CD2 4.09Å; V75-W347 HydrophobicContact CG2-CE3 4.41Å; V75-W347 HydrophobicContact CG2-CG 3.97Å; V75-L351 HydrophobicContact CG1-CD1 4.34Å
76P96Very high94.3Very high80 Ų8036 Ų3652%0.51920%0.202SC..Hα-helixtrans-60.3-37.7176.7-24.335.3000113.2S73 L79 L80S73-P76 WeakPolarHBondContact O-CD 3.46Å; P76-L79 WeakPolarHBondContact O-CB 3.4Å; P76-L79 PolarHBondContact O-N 3.07Å; P76-L80 PolarHBondContact O-N 3.05Å
77Y96.8Very high94.4Very high90 Ų9038.3 Ų38.335%0.35321%0.213SC..Hα-helixtrans-73.8-37179.4-56.4-86.6000112.1S73 F74 V75 L79 L80 H81 Y111 L112S73-Y77 VanDerWaalsContact O-CD2 3.27Å; S73-Y77 WeakPolarHBondContact O-CD2 3.31Å; S73-Y77 WeakPolarHBondContact O-CE2 3.22Å; F74-Y77 PolarHBondContact O-N 2.97Å; F74-Y77 VanDerWaalsContact O-N 3.08Å; V75-Y77 VanDerWaalsContact C-N 3.3Å; V75-Y77 PolarHBondContact O-N 2.99Å; Y77-L79 VanDerWaalsContact C-N 3.31Å; Y77-L80 PolarHBondContact O-N 2.73Å; Y77-H81 PolarHBondContact O-N 3.09Å; Y77-Y111 HydrophobicContact CD1-CD1 4.34Å; Y77-Y111 AromaticContact CD1-CE1 3.88Å; Y77-Y111 HydrophobicContact CD1-CE1 3.88Å; Y77-Y111 HydrophobicContact CE1-CD1 4.24Å; Y77-Y111 AromaticContact CE1-CE1 3.35Å; Y77-Y111 HydrophobicContact CE1-CE1 3.35Å; Y77-Y111 AromaticContact CE1-CZ 3.98Å; Y77-Y111 HydrophobicContact CE2-CE1 4.47Å; Y77-Y111 AromaticContact CZ-CE1 3.69Å; Y77-Y111 PolarHBondContact OH-OH 3.22Å; Y77-L112 HydrophobicContact CD2-CD2 3.85Å; Y77-L112 HydrophobicContact CE2-CD2 4.38Å; Y77-L112 HydrophobicContact CG-CD2 4Å
78L95.8Very high94.6Very high9 Ų939.6 Ų39.65%0.04722%0.22CC..Hα-helixtrans-64.2-36.4171.9-69172.6000111.9F74 V75 H81 S82 L108 P227 H228 L351F74-L78 HydrophobicContact CB-CD1 4.39Å; F74-L78 WeakPolarHBondContact O-CG 3.43Å; F74-L78 PolarHBondContact O-N 3.45Å; V75-L78 PolarHBondContact O-N 3.37Å; L78-H81 PolarHBondContact O-N 3.17Å; L78-S82 PolarHBondContact O-N 3.13Å; L78-S82 PolarHBondContact O-OG 3.34Å; L78-L108 HydrophobicContact CD2-CD2 4.11Å; L78-P227 HydrophobicContact CD2-CB 3.75Å; L78-P227 HydrophobicContact CD2-CG 4.15Å; L78-H228 PolarHBondContact O-NE2 3.34Å; L78-L351 HydrophobicContact CB-CD1 3.57Å; L78-L351 HydrophobicContact CD1-CD1 4.29Å
79L96.3Very high94.5Very high65 Ų6540.5 Ų40.534%0.3422%0.224SC..Hα-helixtrans-64.4-45172.3177.264.3000111.5V75 P76 Y77 H81 S82 I83 L351 F354V75-L79 PolarHBondContact O-N 3.11Å; P76-L79 WeakPolarHBondContact O-CB 3.4Å; P76-L79 PolarHBondContact O-N 3.07Å; Y77-L79 VanDerWaalsContact C-N 3.31Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.41Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.67Å; L79-I83 HydrophobicContact CD1-CD1 4.44Å; L79-I83 HydrophobicContact CG-CD1 4.2Å; L79-I83 WeakPolarHBondContact O-CG1 3.45Å; L79-I83 PolarHBondContact O-N 2.93Å; L79-L351 HydrophobicContact CB-CD2 3.92Å; L79-L351 HydrophobicContact CD1-CD2 3.87Å; L79-L351 HydrophobicContact CG-CD2 4.48Å; L79-F354 HydrophobicContact CD1-CD1 3.69Å; L79-F354 HydrophobicContact CD1-CE1 3.63Å
80L96.7Very high94.2Very high113 Ų11338 Ų3859%0.59221%0.208SC*.Hα-helixtrans-59.6-41.8176-17962.6000111.5P76 Y77 I83 A84P76-L80 PolarHBondContact O-N 3.05Å; Y77-L80 PolarHBondContact O-N 2.73Å; L80-I83 PolarHBondContact O-N 3.23Å; L80-A84 WeakPolarHBondContact O-CB 3.35Å; L80-A84 PolarHBondContact O-N 3.37Å
81H96.3Very high93.9Very high8 Ų843.5 Ų43.54%0.03724%0.236CC..Hα-helixtrans-60.9-45.8173.8175.5-75.7000112.2Y77 L78 L79 I83 A84 S85 S105 L108 H228Y77-H81 PolarHBondContact O-N 3.09Å; L78-H81 PolarHBondContact O-N 3.17Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.41Å; H81-I83 VanDerWaalsContact C-N 3.3Å; H81-I83 PolarHBondContact O-N 2.78Å; H81-A84 PolarHBondContact O-N 2.94Å; H81-S85 VanDerWaalsContact O-CB 3.23Å; H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 3.12Å; H81-S105 PolarHBondContact NE2-OG 3.3Å; H81-L108 HydrophobicContact CB-CD2 3.7Å; H81-H228 AromaticContact ND1-CE1 3.51Å
82S95.4Very high93.7Very high0 Ų044.5 Ų44.50%025%0.246CC..Hα-helixtrans-57.5-41.2174.8-670000112.4L78 L79 S86 H228 L351L78-S82 PolarHBondContact O-N 3.13Å; L78-S82 PolarHBondContact O-OG 3.34Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.67Å; S82-S86 WeakPolarHBondContact O-CB 3.4Å; S82-S86 PolarHBondContact O-N 3.33Å; S82-S86 VanDerWaalsContact O-N 3.1Å; S82-S86 PolarHBondContact O-OG 3.46Å; S82-H228 PolarHBondContact OG-CE1 2.94Å; S82-H228 PolarHBondContact OG-NE2 3.15Å; S82-L351 PolarHBondContact OG-O 3.13Å
83I96.7Very high93.5Very high62 Ų6246.6 Ų46.632%0.31826%0.258SS..Hα-helixtrans-65.9-52.2176.9-65.1166.4000110.7L79 L80 H81 S85 S86 L87 F354 L358L79-I83 HydrophobicContact CD1-CD1 4.44Å; L79-I83 HydrophobicContact CG-CD1 4.2Å; L79-I83 WeakPolarHBondContact O-CG1 3.45Å; L79-I83 PolarHBondContact O-N 2.93Å; L80-I83 PolarHBondContact O-N 3.23Å; H81-I83 VanDerWaalsContact C-N 3.3Å; H81-I83 PolarHBondContact O-N 2.78Å; I83-S85 PolarHBondContact O-N 2.88Å; I83-S86 PolarHBondContact O-N 2.88Å; I83-L87 HydrophobicContact CG2-CD1 4.11Å; I83-L87 WeakPolarHBondContact O-CG 3.36Å; I83-L87 PolarHBondContact O-N 2.99Å; I83-F354 HydrophobicContact CG1-CE1 4Å; I83-L358 HydrophobicContact CB-CD2 4.36Å; I83-L358 HydrophobicContact CG1-CD2 4.27Å; I83-L358 HydrophobicContact CG2-CD2 4.38Å
84A96.4Very high93.1Very high27 Ų2748.6 Ų48.622%0.22326%0.26CS..Hα-helixtrans-60.3-45.3-179.100000111.7L80 H81 S86 L87 V88 L104L80-A84 WeakPolarHBondContact O-CB 3.35Å; L80-A84 PolarHBondContact O-N 3.37Å; H81-A84 PolarHBondContact O-N 2.94Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; A84-L87 PolarHBondContact O-N 3.31Å; A84-V88 VanDerWaalsContact O-CG2 3.32Å; A84-V88 WeakPolarHBondContact O-CG2 3.27Å; A84-V88 PolarHBondContact O-N 3.47Å; A84-L104 HydrophobicContact CB-CD1 4.03Å; A84-L104 HydrophobicContact CB-CD2 4.35Å
85S94.8Very high92.7Very high0 Ų053 Ų530%028%0.279CS..Hα-helixtrans-60.7-43.4177.6-174.80000111.8H81 I83 L87 V88 F89 F97 R101 E355H81-S85 VanDerWaalsContact O-CB 3.23Å; H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 3.12Å; I83-S85 PolarHBondContact O-N 2.88Å; S85-L87 PolarHBondContact O-N 2.54Å; S85-V88 PolarHBondContact O-N 3.16Å; S85-F89 PolarHBondContact O-N 3.15Å; S85-F97 WeakPolarHBondContact O-CE2 3.36Å; S85-R101 WeakPolarHBondContact OG-CD 3.44Å; S85-E355 PolarHBondContact OG-OE1 3.3Å
86S93.5Very high92.6Very high0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-64.6-38.8178.3-56.10000112.8S82 I83 A84 F89 T90 E355 L358S82-S86 WeakPolarHBondContact O-CB 3.4Å; S82-S86 PolarHBondContact O-N 3.33Å; S82-S86 VanDerWaalsContact O-N 3.1Å; S82-S86 PolarHBondContact O-OG 3.46Å; I83-S86 PolarHBondContact O-N 2.88Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; S86-F89 WeakPolarHBondContact O-CB 3.32Å; S86-F89 PolarHBondContact O-N 3.43Å; S86-T90 WeakPolarHBondContact O-CG2 3.45Å; S86-T90 PolarHBondContact O-N 2.95Å; S86-E355 PolarHBondContact OG-O 3.46Å; S86-E355 VanDerWaalsContact OG-O 3.13Å; S86-L358 VanDerWaalsContact CB-CD2 3.42Å; S86-L358 VanDerWaalsContact CB-CG 3.48Å
87L93.4Very high92.4Very high81 Ų8152.9 Ų52.942%0.42427%0.272SS..Hα-helixtrans-63.4-49.1174.6-71.5168.9000111I83 A84 S85 F89 T90 L91 L362I83-L87 HydrophobicContact CG2-CD1 4.11Å; I83-L87 WeakPolarHBondContact O-CG 3.36Å; I83-L87 PolarHBondContact O-N 2.99Å; A84-L87 PolarHBondContact O-N 3.31Å; S85-L87 PolarHBondContact O-N 2.54Å; L87-F89 VanDerWaalsContact C-N 3.29Å; L87-F89 PolarHBondContact O-N 2.84Å; L87-T90 PolarHBondContact O-N 3.4Å; L87-T90 VanDerWaalsContact O-N 3.09Å; L87-T90 PolarHBondContact O-OG1 2.87Å; L87-L91 WeakPolarHBondContact O-CG 3.08Å; L87-L91 PolarHBondContact O-N 3.27Å; L87-L362 HydrophobicContact CD2-CD1 3.95Å; L87-L362 HydrophobicContact CG-CD1 4.45Å
88V93.5Very high92.2Very high33 Ų3349.3 Ų49.320%0.226%0.258CS..Hα-helixtrans-57.1-43.5177.2172.40000110.9A84 S85 T90 L91 A92 F97 C100 L104A84-V88 VanDerWaalsContact O-CG2 3.32Å; A84-V88 WeakPolarHBondContact O-CG2 3.27Å; A84-V88 PolarHBondContact O-N 3.47Å; S85-V88 PolarHBondContact O-N 3.16Å; V88-T90 PolarHBondContact O-N 3.03Å; V88-L91 PolarHBondContact O-N 3.4Å; V88-L91 VanDerWaalsContact O-N 3.15Å; V88-A92 HydrophobicContact CG1-CB 4.24Å; V88-A92 VanDerWaalsContact O-CB 3.23Å; V88-A92 WeakPolarHBondContact O-CB 3.47Å; V88-A92 PolarHBondContact O-N 3.09Å; V88-F97 HydrophobicContact CB-CD2 4.41Å; V88-F97 HydrophobicContact CG1-CD2 3.95Å; V88-C100 HydrophobicContact CG1-CB 3.39Å; V88-C100 HydrophobicContact CG2-CB 4.38Å; V88-L104 HydrophobicContact CG2-CD1 4.14Å
89F90.8Very high92.2Very high24 Ų2451.3 Ų51.311%0.10527%0.273CS..Hα-helixtrans-53.8-39.5178.1-174-85.7000112.2S85 S86 L87 F97 W245 L248 H252 I359S85-F89 PolarHBondContact O-N 3.15Å; S86-F89 WeakPolarHBondContact O-CB 3.32Å; S86-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact C-N 3.29Å; L87-F89 PolarHBondContact O-N 2.84Å; F89-F97 HydrophobicContact CB-CD2 3.67Å; F89-F97 HydrophobicContact CB-CE2 3.57Å; F89-F97 HydrophobicContact CB-CG 4.4Å; F89-F97 HydrophobicContact CB-CZ 4.23Å; F89-F97 AromaticContact CD2-CD1 3.77Å; F89-F97 HydrophobicContact CD2-CD1 3.77Å; F89-F97 AromaticContact CD2-CD2 3.92Å; F89-F97 HydrophobicContact CD2-CD2 3.92Å; F89-F97 AromaticContact CD2-CE1 3.63Å; F89-F97 HydrophobicContact CD2-CE1 3.63Å; F89-F97 AromaticContact CD2-CE2 3.78Å; F89-F97 HydrophobicContact CD2-CE2 3.78Å; F89-F97 AromaticContact CD2-CG 3.91Å; F89-F97 HydrophobicContact CD2-CG 3.91Å; F89-F97 AromaticContact CD2-CZ 3.62Å; F89-F97 HydrophobicContact CD2-CZ 3.62Å; F89-F97 HydrophobicContact CE2-CD1 4.32Å; F89-F97 HydrophobicContact CE2-CE1 4.21Å; F89-F97 HydrophobicContact CG-CD2 4.26Å; F89-F97 HydrophobicContact CG-CE2 4.18Å; F89-F97 HydrophobicContact CG-CZ 4.4Å; F89-W245 HydrophobicContact CD2-CZ3 4.29Å; F89-W245 HydrophobicContact CE2-CE3 4.41Å; F89-W245 HydrophobicContact CE2-CZ3 4.05Å; F89-L248 HydrophobicContact CE2-CD2 4.44Å; F89-L248 HydrophobicContact CZ-CD2 4.28Å; F89-H252 AromaticContact CE1-CE1 3.62Å; F89-H252 AromaticContact CE1-ND1 3.42Å; F89-H252 WeakPolarHBondContact CE1-ND1 3.44Å; F89-H252 AromaticContact CZ-CE1 3.95Å; F89-H252 AromaticContact CZ-ND1 3.66Å; F89-I359 HydrophobicContact CB-CD1 4.27Å; F89-I359 HydrophobicContact CB-CG1 4.02Å; F89-I359 HydrophobicContact CD1-CB 4.34Å; F89-I359 HydrophobicContact CD1-CG1 4.2Å; F89-I359 HydrophobicContact CD1-CG2 3.42Å; F89-I359 VanDerWaalsContact CD1-CG2 3.42Å; F89-I359 HydrophobicContact CD2-CD1 4.2Å; F89-I359 HydrophobicContact CE1-CG2 3.45Å; F89-I359 VanDerWaalsContact CE1-CG2 3.45Å; F89-I359 HydrophobicContact CG-CD1 4.1Å; F89-I359 HydrophobicContact CG-CG1 4.03Å; F89-I359 HydrophobicContact CG-CG2 4Å; F89-I359 HydrophobicContact CZ-CG2 4.05Å
90T84.7Confident92.2Very high42 Ų4250.3 Ų50.326%0.25827%0.271SS..Hα-helixtrans-78.7-22.6-176.162.70000114.5S86 L87 V88 L362S86-T90 WeakPolarHBondContact O-CG2 3.45Å; S86-T90 PolarHBondContact O-N 2.95Å; L87-T90 PolarHBondContact O-N 3.4Å; L87-T90 VanDerWaalsContact O-N 3.09Å; L87-T90 PolarHBondContact O-OG1 2.87Å; V88-T90 PolarHBondContact O-N 3.03Å; T90-L362 HydrophobicContact CG2-CB 3.2Å; T90-L362 HydrophobicContact CG2-CD1 3.88Å; T90-L362 HydrophobicContact CG2-CG 4.18Å
91L87.5Confident92.1Very high151 Ų15144.9 Ų44.979%0.79124%0.242SC*.Hα-helixtrans-98-27.2-176.5-61.4174.7000112.4L87 V88L87-L91 WeakPolarHBondContact O-CG 3.08Å; L87-L91 PolarHBondContact O-N 3.27Å; V88-L91 PolarHBondContact O-N 3.4Å; V88-L91 VanDerWaalsContact O-N 3.15Å
92A88.3Confident92.1Very high27 Ų2745.1 Ų45.122%0.22324%0.244CC..SBendtrans-106.6156.1-170.600000112.8V88 I96 F97V88-A92 HydrophobicContact CG1-CB 4.24Å; V88-A92 VanDerWaalsContact O-CB 3.23Å; V88-A92 WeakPolarHBondContact O-CB 3.47Å; V88-A92 PolarHBondContact O-N 3.09Å; A92-I96 HydrophobicContact CB-CB 3.95Å; A92-I96 HydrophobicContact CB-CG2 3.69Å; A92-F97 HydrophobicContact CB-CB 4.3Å
93N86.4Confident92.2Very high94 Ų9450.1 Ų50.150%0.50327%0.269SS..  trans-71.7167.9165.47425.4000110.8K95 I96 F97N93-K95 VanDerWaalsContact C-N 3.29Å; N93-K95 PolarHBondContact O-N 2.99Å; N93-K95 VanDerWaalsContact O-N 3.16Å; N93-K95 PolarHBondContact OD1-N 3.35Å; N93-K95 VanDerWaalsContact OD1-N 3.15Å; N93-I96 PolarHBondContact O-N 2.96Å; N93-I96 WeakPolarHBondContact OD1-CB 3.44Å; N93-I96 VanDerWaalsContact OD1-CG1 3.27Å; N93-I96 WeakPolarHBondContact OD1-CG1 3.36Å; N93-I96 PolarHBondContact OD1-N 3.13Å; N93-F97 WeakPolarHBondContact O-CB 3.45Å; N93-F97 PolarHBondContact O-N 3.41Å
94K85.5Confident92.2Very high95 Ų9549.7 Ų49.741%0.41327%0.268SS..Hα-helixtrans-51.8-41-177.3-178.7173.7-179.1159.80114.5K98 D249K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.31Å; K94-D249 VanDerWaalsContact CD-OD2 3.27Å; K94-D249 WeakPolarHBondContact CD-OD2 3.27Å; K94-D249 WeakPolarHBondContact CE-OD2 3.41Å; K94-D249 IonicContact NZ-OD2 2.79Å; K94-D249 PolarHBondContact NZ-OD2 3.48Å
95K87.6Confident92.2Very high98 Ų9848.4 Ų48.443%0.42626%0.257SS..Hα-helixtrans-72.6-47.9-177.8-67.1-173.5-179.4-170.20111.1N93 F97 K98 C99 E215N93-K95 VanDerWaalsContact C-N 3.29Å; N93-K95 PolarHBondContact O-N 2.99Å; N93-K95 VanDerWaalsContact O-N 3.16Å; N93-K95 PolarHBondContact OD1-N 3.35Å; N93-K95 VanDerWaalsContact OD1-N 3.15Å; K95-F97 VanDerWaalsContact C-N 3.33Å; K95-F97 PolarHBondContact O-N 3.47Å; K95-K98 PolarHBondContact O-N 3.34Å; K95-C99 PolarHBondContact O-N 2.98Å; K95-C99 VanDerWaalsContact O-N 3.13Å; K95-C99 PolarHBondContact O-SG 3.49Å; K95-C99 VanDerWaalsContact O-SG 3.41Å; K95-E215 WeakPolarHBondContact CE-OE1 3.25Å; K95-E215 IonicContact NZ-OE1 3.97Å; K95-E215 PolarHBondContact NZ-OE1 2.93Å
96I91.4Very high92.3Very high86 Ų8650.7 Ų50.744%0.44127%0.269SS..Hα-helixtrans-63.5-41.8178.7-64.4169.3000110A92 N93 K98 C99 C100A92-I96 HydrophobicContact CB-CB 3.95Å; A92-I96 HydrophobicContact CB-CG2 3.69Å; N93-I96 PolarHBondContact O-N 2.96Å; N93-I96 WeakPolarHBondContact OD1-CB 3.44Å; N93-I96 VanDerWaalsContact OD1-CG1 3.27Å; N93-I96 WeakPolarHBondContact OD1-CG1 3.36Å; N93-I96 PolarHBondContact OD1-N 3.13Å; I96-K98 PolarHBondContact O-N 2.78Å; I96-C99 PolarHBondContact O-N 2.99Å; I96-C100 WeakPolarHBondContact O-CB 3.28Å; I96-C100 PolarHBondContact O-N 3.19Å; I96-C100 PolarHBondContact O-SG 2.86Å; I96-C100 VanDerWaalsContact O-SG 3.34Å
97F92.8Very high92.5Very high6 Ų654.1 Ų54.13%0.02629%0.293CS..Hα-helixtrans-53.4-50.4175.2166.2-111000112S85 V88 F89 A92 N93 K95 C100 R101 W245S85-F97 WeakPolarHBondContact O-CE2 3.36Å; V88-F97 HydrophobicContact CB-CD2 4.41Å; V88-F97 HydrophobicContact CG1-CD2 3.95Å; F89-F97 HydrophobicContact CB-CD2 3.67Å; F89-F97 HydrophobicContact CB-CE2 3.57Å; F89-F97 HydrophobicContact CB-CG 4.4Å; F89-F97 HydrophobicContact CB-CZ 4.23Å; F89-F97 AromaticContact CD2-CD1 3.77Å; F89-F97 HydrophobicContact CD2-CD1 3.77Å; F89-F97 AromaticContact CD2-CD2 3.92Å; F89-F97 HydrophobicContact CD2-CD2 3.92Å; F89-F97 AromaticContact CD2-CE1 3.63Å; F89-F97 HydrophobicContact CD2-CE1 3.63Å; F89-F97 AromaticContact CD2-CE2 3.78Å; F89-F97 HydrophobicContact CD2-CE2 3.78Å; F89-F97 AromaticContact CD2-CG 3.91Å; F89-F97 HydrophobicContact CD2-CG 3.91Å; F89-F97 AromaticContact CD2-CZ 3.62Å; F89-F97 HydrophobicContact CD2-CZ 3.62Å; F89-F97 HydrophobicContact CE2-CD1 4.32Å; F89-F97 HydrophobicContact CE2-CE1 4.21Å; F89-F97 HydrophobicContact CG-CD2 4.26Å; F89-F97 HydrophobicContact CG-CE2 4.18Å; F89-F97 HydrophobicContact CG-CZ 4.4Å; A92-F97 HydrophobicContact CB-CB 4.3Å; N93-F97 WeakPolarHBondContact O-CB 3.45Å; N93-F97 PolarHBondContact O-N 3.41Å; K95-F97 VanDerWaalsContact C-N 3.33Å; K95-F97 PolarHBondContact O-N 3.47Å; F97-C100 PolarHBondContact O-N 3.43Å; F97-R101 HydrophobicContact CE2-CB 4.43Å; F97-R101 WeakPolarHBondContact O-CB 3.37Å; F97-R101 PolarHBondContact O-N 3.47Å; F97-W245 HydrophobicContact CE1-CE3 4.41Å; F97-W245 HydrophobicContact CE1-CZ3 4.08Å; F97-W245 HydrophobicContact CZ-CH2 4.34Å; F97-W245 HydrophobicContact CZ-CZ3 4.22Å
98K92.8Very high92.7Very high14 Ų1451.2 Ų51.26%0.06128%0.277CS..Hα-helixtrans-61.7-46.7178.4-70.9178.9-175.5178.20112.1K94 K95 I96 C100 R101 I102 L218 D219K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.31Å; K95-K98 PolarHBondContact O-N 3.34Å; I96-K98 PolarHBondContact O-N 2.78Å; K98-C100 PolarHBondContact O-N 2.95Å; K98-R101 PolarHBondContact O-N 3.46Å; K98-I102 WeakPolarHBondContact O-CB 3.34Å; K98-I102 WeakPolarHBondContact O-CD1 3.41Å; K98-I102 VanDerWaalsContact O-CG1 3.23Å; K98-I102 WeakPolarHBondContact O-CG1 3.36Å; K98-I102 PolarHBondContact O-N 3.5Å; K98-L218 HydrophobicContact CB-CB 4.35Å; K98-L218 HydrophobicContact CD-CB 4.15Å; K98-D219 WeakPolarHBondContact CE-OD1 3.26Å; K98-D219 IonicContact NZ-OD1 3.35Å; K98-D219 PolarHBondContact NZ-OD1 3.14Å; K98-D219 IonicContact NZ-OD2 3.24Å
99C95.5Very high92.7Very high52 Ų5249.7 Ų49.735%0.35127%0.268SS..Hα-helixtrans-58-49177.1-66.60000111.6K95 I96 R101 I102 I103K95-C99 PolarHBondContact O-N 2.98Å; K95-C99 VanDerWaalsContact O-N 3.13Å; K95-C99 PolarHBondContact O-SG 3.49Å; K95-C99 VanDerWaalsContact O-SG 3.41Å; I96-C99 PolarHBondContact O-N 2.99Å; C99-R101 PolarHBondContact O-N 3.22Å; C99-I102 PolarHBondContact O-N 2.79Å; C99-I103 VanDerWaalsContact O-CG1 3.29Å; C99-I103 WeakPolarHBondContact O-CG1 3.31Å; C99-I103 PolarHBondContact O-N 2.99Å
100C95.9Very high92.9Very high43 Ų4352.2 Ų52.229%0.29128%0.283SS..Hα-helixtrans-62.4-41.9177.9-71.80000111.8V88 I96 F97 K98 I103 L104V88-C100 HydrophobicContact CG1-CB 3.39Å; V88-C100 HydrophobicContact CG2-CB 4.38Å; I96-C100 WeakPolarHBondContact O-CB 3.28Å; I96-C100 PolarHBondContact O-N 3.19Å; I96-C100 PolarHBondContact O-SG 2.86Å; I96-C100 VanDerWaalsContact O-SG 3.34Å; F97-C100 PolarHBondContact O-N 3.43Å; K98-C100 PolarHBondContact O-N 2.95Å; C100-I103 PolarHBondContact O-N 3.5Å; C100-L104 WeakPolarHBondContact O-CB 3.41Å; C100-L104 VanDerWaalsContact O-CG 3.27Å; C100-L104 WeakPolarHBondContact O-CG 3Å; C100-L104 PolarHBondContact O-N 2.9Å
101R95Very high93.4Very high0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-64.7-41.7176.8-174.516272.2-179.2-6112.1S85 F97 K98 C99 I103 L104 S105 D222 W245 E355S85-R101 WeakPolarHBondContact OG-CD 3.44Å; F97-R101 HydrophobicContact CE2-CB 4.43Å; F97-R101 WeakPolarHBondContact O-CB 3.37Å; F97-R101 PolarHBondContact O-N 3.47Å; K98-R101 PolarHBondContact O-N 3.46Å; C99-R101 PolarHBondContact O-N 3.22Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.95Å; R101-L104 PolarHBondContact O-N 3.22Å; R101-S105 WeakPolarHBondContact O-CB 3.45Å; R101-S105 PolarHBondContact O-N 3.09Å; R101-S105 PolarHBondContact O-OG 2.96Å; R101-D222 IonicContact CZ-OD1 2.67Å; R101-D222 IonicContact CZ-OD2 3.57Å; R101-D222 IonicContact NE-OD1 3.27Å; R101-D222 PolarHBondContact NE-OD1 2.89Å; R101-D222 IonicContact NE-OD2 2.81Å; R101-D222 VanDerWaalsContact NH2-CG 3.33Å; R101-D222 IonicContact NH2-OD1 3.34Å; R101-D222 PolarHBondContact NH2-OD1 2.96Å; R101-D222 IonicContact NH2-OD2 3.85Å; R101-D222 PolarHBondContact NH2-OD2 2.91Å; R101-W245 VanDerWaalsContact NH2-CE2 3.28Å; R101-E355 IonicContact NH1-OE1 2.77Å; R101-E355 PolarHBondContact NH1-OE1 2.87Å; R101-E355 VanDerWaalsContact NH1-OE1 3.13Å
102I96.8Very high93.6Very high12 Ų1251 Ų516%0.06227%0.265CS..Hα-helixtrans-58.5-47.5173.5-69.8161.3000110.2K98 C99 L104 S105 I106 L218 L221 D222 L225K98-I102 WeakPolarHBondContact O-CB 3.34Å; K98-I102 WeakPolarHBondContact O-CD1 3.41Å; K98-I102 VanDerWaalsContact O-CG1 3.23Å; K98-I102 WeakPolarHBondContact O-CG1 3.36Å; K98-I102 PolarHBondContact O-N 3.5Å; C99-I102 PolarHBondContact O-N 2.79Å; I102-L104 PolarHBondContact O-N 3.02Å; I102-S105 PolarHBondContact O-N 2.88Å; I102-I106 HydrophobicContact CG2-CD1 3.71Å; I102-I106 HydrophobicContact CG2-CG1 4.33Å; I102-I106 WeakPolarHBondContact O-CB 3.38Å; I102-I106 VanDerWaalsContact O-CG1 3.31Å; I102-I106 WeakPolarHBondContact O-CG1 3.22Å; I102-I106 PolarHBondContact O-N 3.31Å; I102-L218 HydrophobicContact CD1-CD2 3.79Å; I102-L221 HydrophobicContact CD1-CB 3.78Å; I102-L221 HydrophobicContact CG1-CB 4.2Å; I102-D222 HydrophobicContact CD1-CB 4.18Å; I102-D222 HydrophobicContact CG1-CB 4Å; I102-L225 HydrophobicContact CG2-CD1 3.97Å
103I97.2Very high93.7Very high105 Ų10550.6 Ų50.654%0.53826%0.26SS..Hα-helixtrans-61.9-43.9178.6-67.5164.4000111.2C99 C100 R101 I106 S107C99-I103 VanDerWaalsContact O-CG1 3.29Å; C99-I103 WeakPolarHBondContact O-CG1 3.31Å; C99-I103 PolarHBondContact O-N 2.99Å; C100-I103 PolarHBondContact O-N 3.5Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.95Å; I103-I106 PolarHBondContact O-N 2.67Å; I103-S107 WeakPolarHBondContact O-CB 3.32Å; I103-S107 PolarHBondContact O-N 2.78Å; I103-S107 PolarHBondContact O-OG 2.98Å
104L96.7Very high93.8Very high54 Ų5447.3 Ų47.328%0.28325%0.248SC..Hα-helixtrans-61.1-44.3175.8-73.8171.2000111.3A84 V88 C100 R101 I102 L108A84-L104 HydrophobicContact CB-CD1 4.03Å; A84-L104 HydrophobicContact CB-CD2 4.35Å; V88-L104 HydrophobicContact CG2-CD1 4.14Å; C100-L104 WeakPolarHBondContact O-CB 3.41Å; C100-L104 VanDerWaalsContact O-CG 3.27Å; C100-L104 WeakPolarHBondContact O-CG 3Å; C100-L104 PolarHBondContact O-N 2.9Å; R101-L104 PolarHBondContact O-N 3.22Å; I102-L104 PolarHBondContact O-N 3.02Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 PolarHBondContact O-N 3.44Å
105S97Very high94Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-64.9-46.4177.9-63.50000112.2H81 R101 I102 S107 L108 I109 L225 P227H81-S105 PolarHBondContact NE2-OG 3.3Å; R101-S105 WeakPolarHBondContact O-CB 3.45Å; R101-S105 PolarHBondContact O-N 3.09Å; R101-S105 PolarHBondContact O-OG 2.96Å; I102-S105 PolarHBondContact O-N 2.88Å; S105-S107 PolarHBondContact O-N 3.28Å; S105-L108 PolarHBondContact O-N 3.37Å; S105-I109 WeakPolarHBondContact O-CB 3.44Å; S105-I109 WeakPolarHBondContact O-CD1 3.16Å; S105-I109 WeakPolarHBondContact O-CG1 3.32Å; S105-I109 PolarHBondContact O-N 2.77Å; S105-L225 VanDerWaalsContact CB-O 3.26Å; S105-L225 WeakPolarHBondContact CB-O 3.39Å; S105-P227 WeakPolarHBondContact OG-CD 3.19Å
106I97.1Very high94.1Very high48 Ų4851.3 Ų51.325%0.24627%0.265CS..Hα-helixtrans-60.1-47.5176.9-70.7172.4000110.3I102 I103 L108 I109 N110 I118 F122 L225I102-I106 HydrophobicContact CG2-CD1 3.71Å; I102-I106 HydrophobicContact CG2-CG1 4.33Å; I102-I106 WeakPolarHBondContact O-CB 3.38Å; I102-I106 VanDerWaalsContact O-CG1 3.31Å; I102-I106 WeakPolarHBondContact O-CG1 3.22Å; I102-I106 PolarHBondContact O-N 3.31Å; I103-I106 PolarHBondContact O-N 2.67Å; I106-L108 VanDerWaalsContact C-N 3.31Å; I106-L108 PolarHBondContact O-N 3.11Å; I106-I109 PolarHBondContact O-N 3.07Å; I106-N110 VanDerWaalsContact O-CB 3.29Å; I106-N110 WeakPolarHBondContact O-CB 3.15Å; I106-N110 PolarHBondContact O-N 3.07Å; I106-I118 HydrophobicContact CG2-CD1 3.99Å; I106-F122 HydrophobicContact CD1-CE2 4.41Å; I106-F122 HydrophobicContact CD1-CZ 4.16Å; I106-L225 HydrophobicContact CD1-CD1 3.92Å; I106-L225 HydrophobicContact CG1-CD1 3.73Å; I106-L225 HydrophobicContact CG1-CD2 4.27Å
107S96.8Very high94Very high72 Ų7247.5 Ų47.550%0.50325%0.246SC..Hα-helixtrans-58.8-44.9178.8-57.70000111.3I103 S105 Y111I103-S107 WeakPolarHBondContact O-CB 3.32Å; I103-S107 PolarHBondContact O-N 2.78Å; I103-S107 PolarHBondContact O-OG 2.98Å; S105-S107 PolarHBondContact O-N 3.28Å; S107-Y111 WeakPolarHBondContact O-CB 3.4Å; S107-Y111 PolarHBondContact O-N 3.44Å; S107-Y111 VanDerWaalsContact O-N 3.1Å
108L97Very high94.1Very high19 Ų1947.4 Ų47.410%0.09925%0.245CC..Hα-helixtrans-65.7-49.7178.4176.961.7000112.2L78 H81 L104 S105 I106 N110 Y111 L112 P227L78-L108 HydrophobicContact CD2-CD2 4.11Å; H81-L108 HydrophobicContact CB-CD2 3.7Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 PolarHBondContact O-N 3.44Å; S105-L108 PolarHBondContact O-N 3.37Å; I106-L108 VanDerWaalsContact C-N 3.31Å; I106-L108 PolarHBondContact O-N 3.11Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.33Å; L108-Y111 WeakPolarHBondContact O-CB 3.05Å; L108-Y111 PolarHBondContact O-N 3.37Å; L108-Y111 VanDerWaalsContact O-N 3.16Å; L108-L112 HydrophobicContact CD1-CD1 3.71Å; L108-L112 HydrophobicContact CD1-CD2 4.32Å; L108-L112 HydrophobicContact CD1-CG 3.79Å; L108-L112 HydrophobicContact CD2-CD1 4.37Å; L108-L112 HydrophobicContact CG-CD1 3.84Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.4Å; L108-P227 HydrophobicContact CD2-CB 4.01Å; L108-P227 HydrophobicContact CD2-CG 4.06Å
109I94.8Very high94.1Very high1 Ų151.3 Ų51.31%0.00527%0.265CS..Hα-helixtrans-61-43.3-179.1-66.4161.1000110S105 I106 Y111 L112 V113 G114 I117 I118 L225 P227 L230S105-I109 WeakPolarHBondContact O-CB 3.44Å; S105-I109 WeakPolarHBondContact O-CD1 3.16Å; S105-I109 WeakPolarHBondContact O-CG1 3.32Å; S105-I109 PolarHBondContact O-N 2.77Å; I106-I109 PolarHBondContact O-N 3.07Å; I109-Y111 VanDerWaalsContact C-N 3.28Å; I109-Y111 PolarHBondContact O-N 3.13Å; I109-L112 PolarHBondContact O-N 2.83Å; I109-V113 HydrophobicContact CG2-CG2 3.58Å; I109-V113 WeakPolarHBondContact O-CG2 3.49Å; I109-V113 PolarHBondContact O-N 3.15Å; I109-G114 PolarHBondContact O-N 2.93Å; I109-I117 HydrophobicContact CG2-CB 4.32Å; I109-I117 HydrophobicContact CG2-CG2 3.93Å; I109-I118 HydrophobicContact CB-CD1 4.38Å; I109-I118 HydrophobicContact CB-CG1 4.18Å; I109-I118 HydrophobicContact CG2-CD1 4.25Å; I109-I118 HydrophobicContact CG2-CG1 3.71Å; I109-L225 HydrophobicContact CD1-CB 4.35Å; I109-L225 HydrophobicContact CD1-CD2 4.08Å; I109-L225 WeakPolarHBondContact CD1-O 3.33Å; I109-P227 HydrophobicContact CG1-CB 4.36Å; I109-L230 HydrophobicContact CD1-CD2 3.39Å; I109-L230 HydrophobicContact CG1-CD2 3.81Å; I109-L230 HydrophobicContact CG2-CD2 4.12Å
110N94.5Very high94Very high78 Ų7850 Ų5042%0.41726%0.255SS..Hα-helixtrans-60.6-40.2177.4-169.655.7000111.8I106 L108 G114 F115 I118I106-N110 VanDerWaalsContact O-CB 3.29Å; I106-N110 WeakPolarHBondContact O-CB 3.15Å; I106-N110 PolarHBondContact O-N 3.07Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.33Å; N110-G114 WeakPolarHBondContact O-CA 3.47Å; N110-G114 PolarHBondContact O-N 3.32Å; N110-G114 VanDerWaalsContact O-N 3.1Å; N110-F115 WeakPolarHBondContact OD1-CA 3.25Å; N110-F115 WeakPolarHBondContact OD1-CB 3.17Å; N110-F115 PolarHBondContact OD1-N 2.94Å; N110-I118 HydrophobicContact CB-CD1 3.57Å
111Y94.6Very high93.9Very high152 Ų15248 Ų4860%0.59624%0.241SC*.Hα-helixtrans-67.4-41.2176.7177-96.5000112.6Y77 S107 L108 I109Y77-Y111 HydrophobicContact CD1-CD1 4.34Å; Y77-Y111 AromaticContact CD1-CE1 3.88Å; Y77-Y111 HydrophobicContact CD1-CE1 3.88Å; Y77-Y111 HydrophobicContact CE1-CD1 4.24Å; Y77-Y111 AromaticContact CE1-CE1 3.35Å; Y77-Y111 HydrophobicContact CE1-CE1 3.35Å; Y77-Y111 AromaticContact CE1-CZ 3.98Å; Y77-Y111 HydrophobicContact CE2-CE1 4.47Å; Y77-Y111 AromaticContact CZ-CE1 3.69Å; Y77-Y111 PolarHBondContact OH-OH 3.22Å; S107-Y111 WeakPolarHBondContact O-CB 3.4Å; S107-Y111 PolarHBondContact O-N 3.44Å; S107-Y111 VanDerWaalsContact O-N 3.1Å; L108-Y111 WeakPolarHBondContact O-CB 3.05Å; L108-Y111 PolarHBondContact O-N 3.37Å; L108-Y111 VanDerWaalsContact O-N 3.16Å; I109-Y111 VanDerWaalsContact C-N 3.28Å; I109-Y111 PolarHBondContact O-N 3.13Å
112L92.3Very high94Very high15 Ų1551.5 Ų51.58%0.07926%0.256CS..Hα-helixtrans-78.6-46.4-174.9-66.7178.8000113.9F74 Y77 L108 I109 W169F74-L112 HydrophobicContact CB-CD1 4.22Å; F74-L112 HydrophobicContact CD1-CD1 4.46Å; F74-L112 HydrophobicContact CD1-CD2 3.81Å; F74-L112 HydrophobicContact CE1-CD2 4.4Å; F74-L112 HydrophobicContact CG-CD1 4.25Å; F74-L112 HydrophobicContact CG-CD2 4.38Å; Y77-L112 HydrophobicContact CD2-CD2 3.85Å; Y77-L112 HydrophobicContact CE2-CD2 4.38Å; Y77-L112 HydrophobicContact CG-CD2 4Å; L108-L112 HydrophobicContact CD1-CD1 3.71Å; L108-L112 HydrophobicContact CD1-CD2 4.32Å; L108-L112 HydrophobicContact CD1-CG 3.79Å; L108-L112 HydrophobicContact CD2-CD1 4.37Å; L108-L112 HydrophobicContact CG-CD1 3.84Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.4Å; I109-L112 PolarHBondContact O-N 2.83Å; L112-W169 WeakPolarHBondContact O-CH2 3.37Å; L112-W169 WeakPolarHBondContact O-CZ3 3.23Å
113V89.6Confident93.9Very high19 Ų1955.9 Ų55.912%0.11528%0.28CS..Hα-helixtrans-126.9-7.2-169.8-70.60000113.6I109 I117 W169 L173 L231I109-V113 HydrophobicContact CG2-CG2 3.58Å; I109-V113 WeakPolarHBondContact O-CG2 3.49Å; I109-V113 PolarHBondContact O-N 3.15Å; V113-I117 HydrophobicContact CB-CG1 4.21Å; V113-I117 HydrophobicContact CG2-CB 3.9Å; V113-I117 HydrophobicContact CG2-CG1 3.85Å; V113-I117 HydrophobicContact CG2-CG2 4.23Å; V113-W169 HydrophobicContact CG1-CZ3 3.97Å; V113-L173 HydrophobicContact CB-CD2 3.77Å; V113-L173 HydrophobicContact CG1-CD2 3.82Å; V113-L231 HydrophobicContact CG1-CD1 3.57Å; V113-L231 HydrophobicContact CG1-CD2 3.87Å; V113-L231 HydrophobicContact CG1-CG 4.38Å; V113-L231 HydrophobicContact CG2-CD1 4.34Å; V113-L231 HydrophobicContact CG2-CD2 4.24Å
114G88.7Confident93.8Very high24 Ų2451.3 Ų51.325%0.24726%0.256CS..  trans85.8173-17900000114.7I109 N110 K116I109-G114 PolarHBondContact O-N 2.93Å; N110-G114 WeakPolarHBondContact O-CA 3.47Å; N110-G114 PolarHBondContact O-N 3.32Å; N110-G114 VanDerWaalsContact O-N 3.1Å; G114-K116 VanDerWaalsContact C-N 3.27Å; G114-K116 PolarHBondContact O-N 2.73Å
115F89.7Confident93.7Very high119 Ų11949.1 Ų49.152%0.52225%0.245SC..Hα-helixtrans-66.4-22.6-170.6-172.2-111.1000115N110 I117 I118 M119N110-F115 WeakPolarHBondContact OD1-CA 3.25Å; N110-F115 WeakPolarHBondContact OD1-CB 3.17Å; N110-F115 PolarHBondContact OD1-N 2.94Å; F115-I117 VanDerWaalsContact C-N 3.33Å; F115-I117 PolarHBondContact O-N 3.22Å; F115-I118 HydrophobicContact CD2-CD1 4.4Å; F115-I118 WeakPolarHBondContact O-CB 3.31Å; F115-I118 PolarHBondContact O-N 3.49Å; F115-I118 VanDerWaalsContact O-N 3.13Å; F115-M119 HydrophobicContact CD1-CE 4.41Å; F115-M119 HydrophobicContact CD1-CG 3.81Å; F115-M119 HydrophobicContact CE1-CE 3.25Å; F115-M119 HydrophobicContact CE1-CG 3.5Å; F115-M119 VanDerWaalsContact CE1-CG 3.5Å; F115-M119 HydrophobicContact CE1-SD 4.16Å; F115-M119 HydrophobicContact CE2-CE 4.06Å; F115-M119 HydrophobicContact CZ-CE 3.04Å; F115-M119 HydrophobicContact CZ-CG 4.06Å; F115-M119 HydrophobicContact CZ-SD 4.35Å; F115-M119 PolarHBondContact O-N 3.31Å
116K89.3Confident93.7Very high158 Ų15854.3 Ų54.369%0.68727%0.272SS*.Hα-helixtrans-59.4-41.8-177.4-67.9-178179.2178.80112.4G114 I118 M119 D120G114-K116 VanDerWaalsContact C-N 3.27Å; G114-K116 PolarHBondContact O-N 2.73Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-M119 PolarHBondContact O-N 2.97Å; K116-D120 PolarHBondContact O-N 3.03Å
117I91.1Very high93.6Very high6 Ų654.3 Ų54.33%0.03128%0.276CS..Hα-helixtrans-67.5-36.1178-68.9-60.4000111.6I109 V113 F115 M119 D120 V121 L173 A176 I180 L230I109-I117 HydrophobicContact CG2-CB 4.32Å; I109-I117 HydrophobicContact CG2-CG2 3.93Å; V113-I117 HydrophobicContact CB-CG1 4.21Å; V113-I117 HydrophobicContact CG2-CB 3.9Å; V113-I117 HydrophobicContact CG2-CG1 3.85Å; V113-I117 HydrophobicContact CG2-CG2 4.23Å; F115-I117 VanDerWaalsContact C-N 3.33Å; F115-I117 PolarHBondContact O-N 3.22Å; I117-M119 VanDerWaalsContact C-N 3.33Å; I117-D120 PolarHBondContact O-N 3.42Å; I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.33Å; I117-L173 HydrophobicContact CD1-CB 4.17Å; I117-L173 HydrophobicContact CD1-CD2 3.91Å; I117-L173 HydrophobicContact CD1-CG 4.46Å; I117-L173 HydrophobicContact CG1-CD2 3.71Å; I117-A176 HydrophobicContact CD1-CB 4.29Å; I117-I180 HydrophobicContact CG2-CD1 4.08Å; I117-L230 HydrophobicContact CG2-CD2 3.93Å; I117-L230 HydrophobicContact CG2-CG 4.5Å
118I93.4Very high93.6Very high4 Ų450.9 Ų50.92%0.02125%0.252CS..Hα-helixtrans-63-45.4176.2-66.2162000109.7I106 I109 N110 F115 K116 D120 V121 F122I106-I118 HydrophobicContact CG2-CD1 3.99Å; I109-I118 HydrophobicContact CB-CD1 4.38Å; I109-I118 HydrophobicContact CB-CG1 4.18Å; I109-I118 HydrophobicContact CG2-CD1 4.25Å; I109-I118 HydrophobicContact CG2-CG1 3.71Å; N110-I118 HydrophobicContact CB-CD1 3.57Å; F115-I118 HydrophobicContact CD2-CD1 4.4Å; F115-I118 WeakPolarHBondContact O-CB 3.31Å; F115-I118 PolarHBondContact O-N 3.49Å; F115-I118 VanDerWaalsContact O-N 3.13Å; K116-I118 VanDerWaalsContact C-N 3.33Å; I118-D120 VanDerWaalsContact C-N 3.34Å; I118-D120 PolarHBondContact O-N 3.21Å; I118-V121 PolarHBondContact O-N 3.44Å; I118-F122 HydrophobicContact CG2-CD2 3.62Å; I118-F122 HydrophobicContact CG2-CE2 3.43Å; I118-F122 VanDerWaalsContact CG2-CE2 3.43Å; I118-F122 WeakPolarHBondContact O-CD2 3.48Å; I118-F122 PolarHBondContact O-N 3.5Å
119M93.1Very high93.4Very high96 Ų9651.2 Ų51.247%0.47326%0.256SS..Hα-helixtrans-60.7-42.1175.3-78.8-67.4162.400112.6F115 K116 I117 V121 F122 L123F115-M119 HydrophobicContact CD1-CE 4.41Å; F115-M119 HydrophobicContact CD1-CG 3.81Å; F115-M119 HydrophobicContact CE1-CE 3.25Å; F115-M119 HydrophobicContact CE1-CG 3.5Å; F115-M119 VanDerWaalsContact CE1-CG 3.5Å; F115-M119 HydrophobicContact CE1-SD 4.16Å; F115-M119 HydrophobicContact CE2-CE 4.06Å; F115-M119 HydrophobicContact CZ-CE 3.04Å; F115-M119 HydrophobicContact CZ-CG 4.06Å; F115-M119 HydrophobicContact CZ-SD 4.35Å; F115-M119 PolarHBondContact O-N 3.31Å; K116-M119 PolarHBondContact O-N 2.97Å; I117-M119 VanDerWaalsContact C-N 3.33Å; M119-V121 PolarHBondContact O-N 3.34Å; M119-F122 PolarHBondContact O-N 2.99Å; M119-L123 VanDerWaalsContact O-CB 3.32Å; M119-L123 WeakPolarHBondContact O-CB 3.47Å; M119-L123 PolarHBondContact O-N 2.89Å
120D93.3Very high93.3Very high25 Ų2554 Ų5413%0.13428%0.275CS..Hα-helixtrans-61.5-42.6176.1-172.735.5000112.4K116 I117 I118 N124 H177 I180K116-D120 PolarHBondContact O-N 3.03Å; I117-D120 PolarHBondContact O-N 3.42Å; I118-D120 VanDerWaalsContact C-N 3.34Å; I118-D120 PolarHBondContact O-N 3.21Å; D120-N124 WeakPolarHBondContact O-CB 3.47Å; D120-N124 PolarHBondContact O-N 2.8Å; D120-N124 PolarHBondContact O-ND2 3.16Å; D120-N124 PolarHBondContact OD1-ND2 3.32Å; D120-H177 IonicContact OD1-CE1 3.13Å; D120-H177 PolarHBondContact OD1-CE1 2.95Å; D120-H177 IonicContact OD1-ND1 3.83Å; D120-H177 PolarHBondContact OD1-ND1 3.14Å; D120-H177 IonicContact OD2-CE1 2.78Å; D120-H177 IonicContact OD2-CG 2.54Å; D120-H177 IonicContact OD2-ND1 2.67Å; D120-H177 PolarHBondContact OD2-ND1 3.32Å; D120-I180 HydrophobicContact CB-CD1 4.36Å; D120-I180 WeakPolarHBondContact OD2-CD1 3.43Å
121V94.8Very high93.3Very high1 Ų152.3 Ų52.31%0.00627%0.265CS..Hα-helixtrans-59.3-52.1172.7173.40000111I117 I118 M119 L123 N124 V125 I180 L225 L230I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.33Å; I118-V121 PolarHBondContact O-N 3.44Å; M119-V121 PolarHBondContact O-N 3.34Å; V121-L123 PolarHBondContact O-N 3.38Å; V121-N124 PolarHBondContact O-N 2.9Å; V121-V125 HydrophobicContact CG1-CG2 4.13Å; V121-V125 VanDerWaalsContact O-CB 3.32Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 WeakPolarHBondContact O-CG2 3.29Å; V121-V125 PolarHBondContact O-N 3.24Å; V121-I180 HydrophobicContact CG2-CD1 3.61Å; V121-I180 HydrophobicContact CG2-CG1 3.77Å; V121-I180 HydrophobicContact CG2-CG2 4.19Å; V121-L225 HydrophobicContact CB-CD2 4.1Å; V121-L225 HydrophobicContact CG1-CD2 3.74Å; V121-L225 HydrophobicContact CG1-CG 3.97Å; V121-L225 HydrophobicContact CG2-CD2 4.28Å; V121-L230 HydrophobicContact CG2-CD1 3.9Å
122F95.7Very high93.2Very high73 Ų7345.2 Ų45.232%0.3224%0.238SC..Hα-helixtrans-61.5-44.4-178.2-82.3-70000112I106 I118 M119 L126 L221 L225I106-F122 HydrophobicContact CD1-CE2 4.41Å; I106-F122 HydrophobicContact CD1-CZ 4.16Å; I118-F122 HydrophobicContact CG2-CD2 3.62Å; I118-F122 HydrophobicContact CG2-CE2 3.43Å; I118-F122 VanDerWaalsContact CG2-CE2 3.43Å; I118-F122 WeakPolarHBondContact O-CD2 3.48Å; I118-F122 PolarHBondContact O-N 3.5Å; M119-F122 PolarHBondContact O-N 2.99Å; F122-L126 WeakPolarHBondContact O-CB 3.25Å; F122-L126 PolarHBondContact O-N 3.18Å; F122-L221 HydrophobicContact CD1-CD2 3.83Å; F122-L221 HydrophobicContact CE1-CD1 4.18Å; F122-L221 HydrophobicContact CE1-CD2 3.39Å; F122-L221 HydrophobicContact CE1-CG 4.43Å; F122-L221 HydrophobicContact CZ-CD2 4.26Å; F122-L225 HydrophobicContact CZ-CD1 4.31Å
123L95.3Very high93.1Very high105 Ų10553.4 Ų53.455%0.5527%0.269SS..Hα-helixtrans-60.6-53.4179.3179.763.8000111.1M119 V121 L126 C127M119-L123 VanDerWaalsContact O-CB 3.32Å; M119-L123 WeakPolarHBondContact O-CB 3.47Å; M119-L123 PolarHBondContact O-N 2.89Å; V121-L123 PolarHBondContact O-N 3.38Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-C127 WeakPolarHBondContact O-CB 3.32Å; L123-C127 PolarHBondContact O-N 2.67Å; L123-C127 PolarHBondContact O-SG 3Å
124N95.5Very high93.3Very high9 Ų958.9 Ų58.95%0.04830%0.297CS..Hα-helixtrans-64.2-46.9-178.4-80.4-80.4000111.7D120 V121 L126 C127 F128 I180 S184D120-N124 WeakPolarHBondContact O-CB 3.47Å; D120-N124 PolarHBondContact O-N 2.8Å; D120-N124 PolarHBondContact O-ND2 3.16Å; D120-N124 PolarHBondContact OD1-ND2 3.32Å; V121-N124 PolarHBondContact O-N 2.9Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.09Å; N124-C127 PolarHBondContact O-N 2.91Å; N124-F128 HydrophobicContact CB-CD2 4.35Å; N124-F128 WeakPolarHBondContact O-CB 3.41Å; N124-F128 VanDerWaalsContact O-CD2 3.25Å; N124-F128 WeakPolarHBondContact O-CD2 3.4Å; N124-F128 PolarHBondContact O-N 2.94Å; N124-I180 HydrophobicContact CB-CG2 3.8Å; N124-S184 WeakPolarHBondContact CB-OG 3.3Å
125V95.2Very high93.4Very high7 Ų759 Ų594%0.04229%0.292CS..Hα-helixtrans-60.3-42.2179.7173.80000111V121 S129 S184 L220 S224V121-V125 HydrophobicContact CG1-CG2 4.13Å; V121-V125 VanDerWaalsContact O-CB 3.32Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 WeakPolarHBondContact O-CG2 3.29Å; V121-V125 PolarHBondContact O-N 3.24Å; V125-S129 WeakPolarHBondContact O-CB 3.5Å; V125-S129 PolarHBondContact O-N 2.95Å; V125-S129 PolarHBondContact O-OG 3.34Å; V125-S184 PolarHBondContact N-OG 3.4Å; V125-L220 HydrophobicContact CG1-CB 4.34Å; V125-S224 VanDerWaalsContact CG2-CB 3.41Å; V125-S224 WeakPolarHBondContact CG2-OG 3.26Å
126L95.2Very high93.3Very high110 Ų11058.6 Ų58.658%0.57629%0.291SS*.Hα-helixtrans-64.3-53.3176.9-17668.2000110.9F122 L123 N124 F128 S129 C130F122-L126 WeakPolarHBondContact O-CB 3.25Å; F122-L126 PolarHBondContact O-N 3.18Å; L123-L126 PolarHBondContact O-N 3.42Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.09Å; L126-F128 PolarHBondContact O-N 3.43Å; L126-S129 PolarHBondContact O-N 3.16Å; L126-C130 WeakPolarHBondContact O-CB 3.49Å; L126-C130 PolarHBondContact O-N 2.82Å; L126-C130 PolarHBondContact O-SG 3.24Å
127C96Very high93Very high48 Ų4852.9 Ų52.932%0.32428%0.277SS..Hα-helixtrans-58.1-51-179.1-71.30000112L123 N124 S129 C130 I131 F145L123-C127 WeakPolarHBondContact O-CB 3.32Å; L123-C127 PolarHBondContact O-N 2.67Å; L123-C127 PolarHBondContact O-SG 3Å; N124-C127 PolarHBondContact O-N 2.91Å; C127-S129 VanDerWaalsContact C-N 3.33Å; C127-S129 PolarHBondContact O-N 2.97Å; C127-C130 PolarHBondContact O-N 3.23Å; C127-I131 WeakPolarHBondContact O-CB 3.41Å; C127-I131 VanDerWaalsContact O-CG1 3.3Å; C127-I131 WeakPolarHBondContact O-CG1 3.44Å; C127-I131 PolarHBondContact O-N 3.03Å; C127-F145 HydrophobicContact CB-CZ 4.07Å
128F96.3Very high93Very high0 Ų055.9 Ų55.90%029%0.293CS..Hα-helixtrans-62.9-37.5178.8-85-86.4000112.3N124 L126 S132 M142 F145 A146 V149 V181 S184 L185 A188N124-F128 HydrophobicContact CB-CD2 4.35Å; N124-F128 WeakPolarHBondContact O-CB 3.41Å; N124-F128 VanDerWaalsContact O-CD2 3.25Å; N124-F128 WeakPolarHBondContact O-CD2 3.4Å; N124-F128 PolarHBondContact O-N 2.94Å; L126-F128 PolarHBondContact O-N 3.43Å; F128-S132 WeakPolarHBondContact O-CB 3.44Å; F128-S132 PolarHBondContact O-N 3.09Å; F128-M142 HydrophobicContact CD1-CE 3.32Å; F128-M142 HydrophobicContact CE1-CE 3.69Å; F128-M142 HydrophobicContact CG-CE 4.44Å; F128-F145 HydrophobicContact CD1-CD1 4.14Å; F128-F145 AromaticContact CD1-CE1 3.88Å; F128-F145 HydrophobicContact CD1-CE1 3.88Å; F128-F145 HydrophobicContact CD2-CE1 4.09Å; F128-F145 AromaticContact CE1-CD1 3.95Å; F128-F145 HydrophobicContact CE1-CD1 3.95Å; F128-F145 AromaticContact CE1-CE1 3.86Å; F128-F145 HydrophobicContact CE1-CE1 3.86Å; F128-F145 HydrophobicContact CE2-CE1 4.12Å; F128-F145 AromaticContact CG-CE1 3.97Å; F128-F145 HydrophobicContact CG-CE1 3.97Å; F128-F145 HydrophobicContact CZ-CD1 4.37Å; F128-F145 AromaticContact CZ-CE1 3.99Å; F128-F145 HydrophobicContact CZ-CE1 3.99Å; F128-A146 HydrophobicContact CE1-CB 4.16Å; F128-V149 HydrophobicContact CE2-CB 4.43Å; F128-V149 HydrophobicContact CE2-CG1 4.09Å; F128-V149 HydrophobicContact CE2-CG2 4.27Å; F128-V149 HydrophobicContact CZ-CB 4.2Å; F128-V149 HydrophobicContact CZ-CG1 4.25Å; F128-V149 HydrophobicContact CZ-CG2 4.18Å; F128-V181 HydrophobicContact CE2-CG1 4.08Å; F128-V181 HydrophobicContact CZ-CG1 3.92Å; F128-S184 WeakPolarHBondContact CB-O 3.28Å; F128-L185 HydrophobicContact CD1-CB 4.16Å; F128-L185 HydrophobicContact CD1-CD1 4.3Å; F128-L185 HydrophobicContact CE1-CB 3.8Å; F128-L185 HydrophobicContact CE1-CD1 3.91Å; F128-L185 HydrophobicContact CE1-CG 4.39Å; F128-L185 HydrophobicContact CZ-CB 4.37Å; F128-A188 HydrophobicContact CB-CB 4.16Å; F128-A188 HydrophobicContact CD1-CB 4.12Å
129S92.4Very high92.8Very high25 Ų2559 Ų5918%0.17531%0.305CS..Hα-helixtrans-70.6-43.5177.1-58.60000112.1V125 L126 C127 S132 Y133V125-S129 WeakPolarHBondContact O-CB 3.5Å; V125-S129 PolarHBondContact O-N 2.95Å; V125-S129 PolarHBondContact O-OG 3.34Å; L126-S129 PolarHBondContact O-N 3.16Å; C127-S129 VanDerWaalsContact C-N 3.33Å; C127-S129 PolarHBondContact O-N 2.97Å; S129-S132 PolarHBondContact O-N 3.25Å; S129-Y133 PolarHBondContact O-N 3.28Å
130C93.5Very high92.7Very high61 Ų6160.2 Ų60.241%0.41231%0.313SS..Hα-helixtrans-62.5-48.2176.8-72.70000111.5L126 C127 S132 Y133 L134L126-C130 WeakPolarHBondContact O-CB 3.49Å; L126-C130 PolarHBondContact O-N 2.82Å; L126-C130 PolarHBondContact O-SG 3.24Å; C127-C130 PolarHBondContact O-N 3.23Å; C130-S132 VanDerWaalsContact C-N 3.33Å; C130-S132 PolarHBondContact O-N 3Å; C130-Y133 WeakPolarHBondContact O-CB 3.35Å; C130-Y133 PolarHBondContact O-N 3.31Å; C130-L134 WeakPolarHBondContact O-CG 3.39Å; C130-L134 PolarHBondContact O-N 2.97Å
131I94.9Very high92.8Very high42 Ų4263 Ų6322%0.21533%0.327CS..Hα-helixtrans-63.2-41.3176.7-64.5-60.3000110.9C127 Y133 L134 V135 M142 F145C127-I131 WeakPolarHBondContact O-CB 3.41Å; C127-I131 VanDerWaalsContact O-CG1 3.3Å; C127-I131 WeakPolarHBondContact O-CG1 3.44Å; C127-I131 PolarHBondContact O-N 3.03Å; I131-Y133 VanDerWaalsContact C-N 3.25Å; I131-Y133 PolarHBondContact O-N 3.35Å; I131-L134 HydrophobicContact CD1-CD1 4.32Å; I131-L134 PolarHBondContact O-N 2.96Å; I131-V135 HydrophobicContact CG2-CG2 4.07Å; I131-V135 VanDerWaalsContact O-CB 3.26Å; I131-V135 WeakPolarHBondContact O-CB 3.44Å; I131-V135 WeakPolarHBondContact O-CG2 3.46Å; I131-V135 PolarHBondContact O-N 3.26Å; I131-M142 HydrophobicContact CG2-SD 4.17Å; I131-F145 HydrophobicContact CB-CD1 4.14Å; I131-F145 HydrophobicContact CB-CE1 4.3Å; I131-F145 HydrophobicContact CB-CG 4.33Å; I131-F145 HydrophobicContact CD1-CD2 4.44Å; I131-F145 HydrophobicContact CD1-CE2 4.45Å; I131-F145 HydrophobicContact CG1-CD1 4.13Å; I131-F145 HydrophobicContact CG1-CD2 3.94Å; I131-F145 HydrophobicContact CG1-CE1 4.01Å; I131-F145 HydrophobicContact CG1-CE2 3.82Å; I131-F145 HydrophobicContact CG1-CG 4.09Å; I131-F145 HydrophobicContact CG1-CZ 3.86Å; I131-F145 HydrophobicContact CG2-CB 4.01Å; I131-F145 HydrophobicContact CG2-CD1 3.97Å; I131-F145 HydrophobicContact CG2-CD2 4.41Å; I131-F145 HydrophobicContact CG2-CG 3.85Å
132S92.7Very high92.7Very high2 Ų262.9 Ų62.91%0.01433%0.327CS..Hα-helixtrans-59.9-36.8176.1-170.10000112.4F128 S129 C130 F136 A188 Q192F128-S132 WeakPolarHBondContact O-CB 3.44Å; F128-S132 PolarHBondContact O-N 3.09Å; S129-S132 PolarHBondContact O-N 3.25Å; C130-S132 VanDerWaalsContact C-N 3.33Å; C130-S132 PolarHBondContact O-N 3Å; S132-F136 WeakPolarHBondContact O-CA 3.44Å; S132-F136 PolarHBondContact O-N 3.22Å; S132-A188 PolarHBondContact OG-O 3.32Å; S132-Q192 PolarHBondContact O-NE2 3.39Å; S132-Q192 PolarHBondContact OG-NE2 3.31Å
133Y90.3Very high92.7Very high187 Ų18762 Ų6273%0.73332%0.321SS*.Hα-helixtrans-69.9-44.6173.9-177.5-96.2000112.8S129 C130 I131 V135 F136S129-Y133 PolarHBondContact O-N 3.28Å; C130-Y133 WeakPolarHBondContact O-CB 3.35Å; C130-Y133 PolarHBondContact O-N 3.31Å; I131-Y133 VanDerWaalsContact C-N 3.25Å; I131-Y133 PolarHBondContact O-N 3.35Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; Y133-V135 PolarHBondContact O-N 2.98Å; Y133-F136 WeakPolarHBondContact O-CB 3.2Å
134L92.8Very high92.8Very high134 Ų13460.4 Ų60.470%0.70232%0.315SS*.Hα-helixtrans-65.9-33-180-69.8172.8000112.9C130 I131C130-L134 WeakPolarHBondContact O-CG 3.39Å; C130-L134 PolarHBondContact O-N 2.97Å; I131-L134 HydrophobicContact CD1-CD1 4.32Å; I131-L134 PolarHBondContact O-N 2.96Å
135V91.9Very high92.8Very high26 Ų2662 Ų6216%0.15832%0.322CS..THydrogen-bonded Turntrans-108.929.2-173.3-175.60000110I131 Y133 G137 N138 L141 Q192I131-V135 HydrophobicContact CG2-CG2 4.07Å; I131-V135 VanDerWaalsContact O-CB 3.26Å; I131-V135 WeakPolarHBondContact O-CB 3.44Å; I131-V135 WeakPolarHBondContact O-CG2 3.46Å; I131-V135 PolarHBondContact O-N 3.26Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; Y133-V135 PolarHBondContact O-N 2.98Å; V135-G137 PolarHBondContact O-N 3.03Å; V135-G137 VanDerWaalsContact O-N 3.17Å; V135-N138 HydrophobicContact CG1-CB 3.75Å; V135-N138 WeakPolarHBondContact CG1-O 3.37Å; V135-N138 PolarHBondContact O-N 3.47Å; V135-L141 HydrophobicContact CB-CB 4.49Å; V135-L141 HydrophobicContact CG1-CB 3.22Å; V135-L141 HydrophobicContact CG1-CD1 3.82Å; V135-L141 HydrophobicContact CG1-CG 4.15Å; V135-L141 HydrophobicContact CG2-CB 4.46Å; V135-Q192 PolarHBondContact O-NE2 2.99Å
136F86.4Confident92.9Very high112 Ų11261.8 Ų61.849%0.49132%0.321SS..THydrogen-bonded Turntrans-56.7122-173.4-168.1-104.8000112.1S132 Y133 S195S132-F136 WeakPolarHBondContact O-CA 3.44Å; S132-F136 PolarHBondContact O-N 3.22Å; Y133-F136 WeakPolarHBondContact O-CB 3.2Å; F136-S195 WeakPolarHBondContact CE1-OG 3.41Å; F136-S195 VanDerWaalsContact CZ-OG 3.3Å; F136-S195 WeakPolarHBondContact CZ-OG 3.2Å
137G84Confident92.9Very high38 Ų3859.5 Ų59.539%0.39231%0.311SS..THydrogen-bonded Turntrans90.1-12.4-17600000115.5V135V135-G137 PolarHBondContact O-N 3.03Å; V135-G137 VanDerWaalsContact O-N 3.17Å
138N89.7Confident92.9Very high68 Ų6862.6 Ų62.636%0.36432%0.324SS..  trans-104.787.7-178-170.9-22.6000112.2V135 L140 L141 M142V135-N138 HydrophobicContact CG1-CB 3.75Å; V135-N138 WeakPolarHBondContact CG1-O 3.37Å; V135-N138 PolarHBondContact O-N 3.47Å; N138-L140 VanDerWaalsContact C-N 3.25Å; N138-L140 PolarHBondContact O-N 3.47Å; N138-L140 PolarHBondContact OD1-N 2.63Å; N138-L140 VanDerWaalsContact OD1-N 3.16Å; N138-L141 HydrophobicContact CB-CD1 4.44Å; N138-L141 WeakPolarHBondContact ND2-CD1 3.38Å; N138-L141 PolarHBondContact O-N 2.93Å; N138-L141 PolarHBondContact OD1-N 2.98Å; N138-M142 PolarHBondContact O-N 3.5Å
139Y89.9Confident92.8Very high69 Ų6963.7 Ų63.727%0.27133%0.331SS..Hα-helixtrans-58.4-33.3178-68-84.4000113.9M142 W143 L189 Q192 K193 D196Y139-M142 WeakPolarHBondContact O-CB 3.46Å; Y139-M142 PolarHBondContact O-N 3.33Å; Y139-W143 PolarHBondContact O-N 3.31Å; Y139-L189 HydrophobicContact CD1-CD2 4.25Å; Y139-Q192 HydrophobicContact CD1-CB 4.01Å; Y139-Q192 HydrophobicContact CE1-CB 3.47Å; Y139-Q192 VanDerWaalsContact CE1-CB 3.47Å; Y139-Q192 HydrophobicContact CE1-CG 4.46Å; Y139-Q192 PolarHBondContact OH-O 2.99Å; Y139-K193 WeakPolarHBondContact OH-CA 3.5Å; Y139-K193 PolarHBondContact OH-N 3.25Å; Y139-D196 PolarHBondContact OH-OD2 3.23Å
140L91.6Very high92.9Very high122 Ų12262.5 Ų62.564%0.63932%0.322SS*.Hα-helixtrans-65.7-48.7-176.9-178.3140.9000110.9N138 M142 W143 V144N138-L140 VanDerWaalsContact C-N 3.25Å; N138-L140 PolarHBondContact O-N 3.47Å; N138-L140 PolarHBondContact OD1-N 2.63Å; N138-L140 VanDerWaalsContact OD1-N 3.16Å; L140-M142 VanDerWaalsContact C-N 3.28Å; L140-M142 PolarHBondContact O-N 3.01Å; L140-W143 PolarHBondContact O-N 3.26Å; L140-V144 HydrophobicContact CD2-CG2 4.19Å; L140-V144 WeakPolarHBondContact O-CG2 3.45Å; L140-V144 PolarHBondContact O-N 2.83Å
141L94.1Very high92.8Very high83 Ų8363 Ų6344%0.43532%0.319SS..Hα-helixtrans-64-34.6176.8-76.2178.3000111.8V135 N138 V144 F145V135-L141 HydrophobicContact CB-CB 4.49Å; V135-L141 HydrophobicContact CG1-CB 3.22Å; V135-L141 HydrophobicContact CG1-CD1 3.82Å; V135-L141 HydrophobicContact CG1-CG 4.15Å; V135-L141 HydrophobicContact CG2-CB 4.46Å; N138-L141 HydrophobicContact CB-CD1 4.44Å; N138-L141 WeakPolarHBondContact ND2-CD1 3.38Å; N138-L141 PolarHBondContact O-N 2.93Å; N138-L141 PolarHBondContact OD1-N 2.98Å; L141-V144 PolarHBondContact O-N 3.42Å; L141-F145 PolarHBondContact O-N 3.38Å
142M94.4Very high92.7Very high0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-62.7-42.9173-172.464.1-124.600112.1F128 I131 N138 Y139 L140 F145 A146 L185 A188 L189F128-M142 HydrophobicContact CD1-CE 3.32Å; F128-M142 HydrophobicContact CE1-CE 3.69Å; F128-M142 HydrophobicContact CG-CE 4.44Å; I131-M142 HydrophobicContact CG2-SD 4.17Å; N138-M142 PolarHBondContact O-N 3.5Å; Y139-M142 WeakPolarHBondContact O-CB 3.46Å; Y139-M142 PolarHBondContact O-N 3.33Å; L140-M142 VanDerWaalsContact C-N 3.28Å; L140-M142 PolarHBondContact O-N 3.01Å; M142-F145 HydrophobicContact CE-CD1 3.74Å; M142-F145 HydrophobicContact CE-CE1 4.48Å; M142-F145 PolarHBondContact O-N 3.32Å; M142-A146 PolarHBondContact O-N 3.43Å; M142-L185 HydrophobicContact CE-CD1 4.03Å; M142-A188 HydrophobicContact CE-CB 3.57Å; M142-A188 HydrophobicContact CG-CB 4.48Å; M142-A188 HydrophobicContact SD-CB 3.72Å; M142-L189 HydrophobicContact CG-CD2 3.93Å
143W95.2Very high92.5Very high55 Ų5563.7 Ų63.721%0.20833%0.33CS..Hα-helixtrans-68.1-39175-81.6112.6000112.5Y139 L140 F145 A146 V147 L185 L189 F428 I433 F470Y139-W143 PolarHBondContact O-N 3.31Å; L140-W143 PolarHBondContact O-N 3.26Å; W143-F145 VanDerWaalsContact C-N 3.34Å; W143-F145 PolarHBondContact O-N 2.66Å; W143-A146 HydrophobicContact CE3-CB 4.4Å; W143-A146 WeakPolarHBondContact O-CB 3.46Å; W143-A146 PolarHBondContact O-N 3.37Å; W143-V147 VanDerWaalsContact O-CG2 3.28Å; W143-V147 WeakPolarHBondContact O-CG2 3.18Å; W143-V147 PolarHBondContact O-N 2.87Å; W143-L185 HydrophobicContact CE3-CD2 4.47Å; W143-L185 HydrophobicContact CH2-CD2 4.23Å; W143-L185 HydrophobicContact CZ3-CD2 3.83Å; W143-L189 HydrophobicContact CH2-CD1 4.08Å; W143-L189 HydrophobicContact CZ2-CD1 3.72Å; W143-F428 HydrophobicContact CH2-CE1 4.15Å; W143-F428 HydrophobicContact CH2-CZ 4.44Å; W143-I433 HydrophobicContact CH2-CD1 3.75Å; W143-I433 HydrophobicContact CH2-CG1 3.54Å; W143-I433 HydrophobicContact CZ2-CD1 4.26Å; W143-I433 HydrophobicContact CZ2-CG1 3.53Å; W143-I433 HydrophobicContact CZ3-CD1 4.39Å; W143-I433 HydrophobicContact CZ3-CG1 4.49Å; W143-F470 HydrophobicContact CH2-CD2 4.28Å; W143-F470 HydrophobicContact CH2-CE2 4.24Å; W143-F470 AromaticContact CZ3-CD2 3.7Å; W143-F470 HydrophobicContact CZ3-CD2 3.7Å; W143-F470 AromaticContact CZ3-CE2 3.67Å; W143-F470 HydrophobicContact CZ3-CE2 3.67Å
144V96Very high92.3Very high70 Ų7056.6 Ų56.642%0.42430%0.303SS..Hα-helixtrans-58.7-47.4173.5170.50000110.3L140 L141 A146 V147 L148L140-V144 HydrophobicContact CD2-CG2 4.19Å; L140-V144 WeakPolarHBondContact O-CG2 3.45Å; L140-V144 PolarHBondContact O-N 2.83Å; L141-V144 PolarHBondContact O-N 3.42Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.67Å; V144-V147 PolarHBondContact O-N 2.92Å; V144-L148 HydrophobicContact CG1-CD1 4.12Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 2.91Å
145F96.7Very high91.9Very high44 Ų4456.8 Ų56.819%0.19330%0.299CS..Hα-helixtrans-58.5-45.7175.1175.5-105.2000111.9C127 F128 I131 L141 M142 W143 V147 L148 V149C127-F145 HydrophobicContact CB-CZ 4.07Å; F128-F145 HydrophobicContact CD1-CD1 4.14Å; F128-F145 AromaticContact CD1-CE1 3.88Å; F128-F145 HydrophobicContact CD1-CE1 3.88Å; F128-F145 HydrophobicContact CD2-CE1 4.09Å; F128-F145 AromaticContact CE1-CD1 3.95Å; F128-F145 HydrophobicContact CE1-CD1 3.95Å; F128-F145 AromaticContact CE1-CE1 3.86Å; F128-F145 HydrophobicContact CE1-CE1 3.86Å; F128-F145 HydrophobicContact CE2-CE1 4.12Å; F128-F145 AromaticContact CG-CE1 3.97Å; F128-F145 HydrophobicContact CG-CE1 3.97Å; F128-F145 HydrophobicContact CZ-CD1 4.37Å; F128-F145 AromaticContact CZ-CE1 3.99Å; F128-F145 HydrophobicContact CZ-CE1 3.99Å; I131-F145 HydrophobicContact CB-CD1 4.14Å; I131-F145 HydrophobicContact CB-CE1 4.3Å; I131-F145 HydrophobicContact CB-CG 4.33Å; I131-F145 HydrophobicContact CD1-CD2 4.44Å; I131-F145 HydrophobicContact CD1-CE2 4.45Å; I131-F145 HydrophobicContact CG1-CD1 4.13Å; I131-F145 HydrophobicContact CG1-CD2 3.94Å; I131-F145 HydrophobicContact CG1-CE1 4.01Å; I131-F145 HydrophobicContact CG1-CE2 3.82Å; I131-F145 HydrophobicContact CG1-CG 4.09Å; I131-F145 HydrophobicContact CG1-CZ 3.86Å; I131-F145 HydrophobicContact CG2-CB 4.01Å; I131-F145 HydrophobicContact CG2-CD1 3.97Å; I131-F145 HydrophobicContact CG2-CD2 4.41Å; I131-F145 HydrophobicContact CG2-CG 3.85Å; L141-F145 PolarHBondContact O-N 3.38Å; M142-F145 HydrophobicContact CE-CD1 3.74Å; M142-F145 HydrophobicContact CE-CE1 4.48Å; M142-F145 PolarHBondContact O-N 3.32Å; W143-F145 VanDerWaalsContact C-N 3.34Å; W143-F145 PolarHBondContact O-N 2.66Å; F145-V147 PolarHBondContact O-N 3.27Å; F145-L148 PolarHBondContact O-N 3.47Å; F145-V149 HydrophobicContact CD1-CG2 4.34Å; F145-V149 HydrophobicContact CD2-CG2 4.36Å; F145-V149 HydrophobicContact CE1-CG2 3.81Å; F145-V149 HydrophobicContact CE2-CG2 3.82Å; F145-V149 HydrophobicContact CZ-CG2 3.52Å; F145-V149 WeakPolarHBondContact O-CG2 3.34Å; F145-V149 PolarHBondContact O-N 3.34Å
146A96.3Very high91.2Very high1 Ų161.3 Ų61.31%0.00832%0.317CS..Hα-helixtrans-58.1-47.4177.500000112.3F128 M142 W143 V144 L148 V149 F150 L185F128-A146 HydrophobicContact CE1-CB 4.16Å; M142-A146 PolarHBondContact O-N 3.43Å; W143-A146 HydrophobicContact CE3-CB 4.4Å; W143-A146 WeakPolarHBondContact O-CB 3.46Å; W143-A146 PolarHBondContact O-N 3.37Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.67Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 2.83Å; A146-V149 PolarHBondContact O-N 2.86Å; A146-F150 WeakPolarHBondContact O-CD2 3.08Å; A146-F150 PolarHBondContact O-N 3.12Å; A146-L185 HydrophobicContact CB-CD1 3.77Å; A146-L185 HydrophobicContact CB-CD2 3.86Å; A146-L185 HydrophobicContact CB-CG 4.42Å
147V95.7Very high90.5Very high63 Ų6358.7 Ų58.738%0.38231%0.306SS..Hα-helixtrans-59.2-43.7177.6173.90000111.2W143 V144 F145 V149 F150 Q151 L473W143-V147 VanDerWaalsContact O-CG2 3.28Å; W143-V147 WeakPolarHBondContact O-CG2 3.18Å; W143-V147 PolarHBondContact O-N 2.87Å; V144-V147 PolarHBondContact O-N 2.92Å; F145-V147 PolarHBondContact O-N 3.27Å; V147-V149 VanDerWaalsContact C-N 3.34Å; V147-V149 PolarHBondContact O-N 3.46Å; V147-F150 PolarHBondContact O-N 3.24Å; V147-Q151 HydrophobicContact CG1-CG 4.44Å; V147-Q151 WeakPolarHBondContact O-CG 3.47Å; V147-Q151 PolarHBondContact O-N 3.39Å; V147-L473 HydrophobicContact CB-CD2 4.3Å; V147-L473 HydrophobicContact CG1-CD1 4.34Å; V147-L473 HydrophobicContact CG1-CD2 4.4Å; V147-L473 HydrophobicContact CG2-CD2 3.79Å
148L95.5Very high89.4Confident112 Ų11261.5 Ų61.559%0.58632%0.319SS*.Hα-helixtrans-61.7-40.9176.8-69.7172.2000112V144 F145 A146 A152V144-L148 HydrophobicContact CG1-CD1 4.12Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 2.91Å; F145-L148 PolarHBondContact O-N 3.47Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 2.83Å; L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.38Å
149V95.1Very high87.8Confident24 Ų2461.8 Ų61.815%0.14533%0.327CS..Hα-helixtrans-64-49.2175.8174.80000110.7F128 F145 A146 V147 Q151 A152 S153 V181F128-V149 HydrophobicContact CE2-CB 4.43Å; F128-V149 HydrophobicContact CE2-CG1 4.09Å; F128-V149 HydrophobicContact CE2-CG2 4.27Å; F128-V149 HydrophobicContact CZ-CB 4.2Å; F128-V149 HydrophobicContact CZ-CG1 4.25Å; F128-V149 HydrophobicContact CZ-CG2 4.18Å; F145-V149 HydrophobicContact CD1-CG2 4.34Å; F145-V149 HydrophobicContact CD2-CG2 4.36Å; F145-V149 HydrophobicContact CE1-CG2 3.81Å; F145-V149 HydrophobicContact CE2-CG2 3.82Å; F145-V149 HydrophobicContact CZ-CG2 3.52Å; F145-V149 WeakPolarHBondContact O-CG2 3.34Å; F145-V149 PolarHBondContact O-N 3.34Å; A146-V149 PolarHBondContact O-N 2.86Å; V147-V149 VanDerWaalsContact C-N 3.34Å; V147-V149 PolarHBondContact O-N 3.46Å; V149-Q151 VanDerWaalsContact C-N 3.32Å; V149-Q151 PolarHBondContact O-N 3.02Å; V149-A152 PolarHBondContact O-N 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 3.34Å; V149-S153 PolarHBondContact O-OG 3.07Å; V149-V181 HydrophobicContact CG1-CG1 3.98Å; V149-V181 HydrophobicContact CG1-CG2 4.09Å
150F94Very high86.1Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-56-45.2177.5-82.8-74.3000112.2A146 V147 S153 E154 F178 V181 L182 L185 F470 L473 Y474A146-F150 WeakPolarHBondContact O-CD2 3.08Å; A146-F150 PolarHBondContact O-N 3.12Å; V147-F150 PolarHBondContact O-N 3.24Å; F150-S153 WeakPolarHBondContact O-CB 3.47Å; F150-S153 PolarHBondContact O-N 3.39Å; F150-E154 PolarHBondContact O-N 3.34Å; F150-E154 VanDerWaalsContact O-N 3.12Å; F150-F178 AromaticContact CD1-CD1 3.66Å; F150-F178 HydrophobicContact CD1-CD1 3.66Å; F150-F178 AromaticContact CD1-CE1 3.84Å; F150-F178 HydrophobicContact CD1-CE1 3.84Å; F150-F178 AromaticContact CE1-CD1 3.78Å; F150-F178 HydrophobicContact CE1-CD1 3.78Å; F150-F178 HydrophobicContact CE1-CE1 4.42Å; F150-V181 HydrophobicContact CD1-CG1 4.3Å; F150-V181 HydrophobicContact CD2-CG1 4.17Å; F150-V181 HydrophobicContact CE1-CB 4.37Å; F150-V181 HydrophobicContact CE1-CG1 3.88Å; F150-V181 HydrophobicContact CE2-CG1 3.74Å; F150-V181 HydrophobicContact CG-CG1 4.42Å; F150-V181 HydrophobicContact CZ-CB 4.32Å; F150-V181 HydrophobicContact CZ-CG1 3.57Å; F150-L182 HydrophobicContact CZ-CD2 3.9Å; F150-L182 HydrophobicContact CZ-CG 4.13Å; F150-L185 HydrophobicContact CE2-CD2 4.25Å; F150-F470 HydrophobicContact CE2-CE2 4.11Å; F150-F470 HydrophobicContact CZ-CE2 4.47Å; F150-F470 HydrophobicContact CZ-CZ 4.49Å; F150-L473 HydrophobicContact CB-CD1 3.87Å; F150-L473 HydrophobicContact CB-CD2 4.18Å; F150-L473 HydrophobicContact CB-CG 3.91Å; F150-L473 HydrophobicContact CD2-CD2 3.98Å; F150-L473 HydrophobicContact CD2-CG 4.39Å; F150-L473 HydrophobicContact CG-CD2 4.23Å; F150-L473 HydrophobicContact CG-CG 4.15Å; F150-Y474 AromaticContact CE1-CD2 3.96Å; F150-Y474 HydrophobicContact CE1-CD2 3.96Å
151Q91.6Very high84.3Confident71 Ų7167.2 Ų67.233%0.33235%0.354SS..Hα-helixtrans-70.3-37.4179.1-69.6-64.2-75.300112.9V147 V149 S153 E154 F155 L473V147-Q151 HydrophobicContact CG1-CG 4.44Å; V147-Q151 WeakPolarHBondContact O-CG 3.47Å; V147-Q151 PolarHBondContact O-N 3.39Å; V149-Q151 VanDerWaalsContact C-N 3.32Å; V149-Q151 PolarHBondContact O-N 3.02Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; Q151-E154 PolarHBondContact NE2-OE2 3.48Å; Q151-E154 PolarHBondContact O-N 2.94Å; Q151-F155 WeakPolarHBondContact O-CB 3.23Å; Q151-F155 PolarHBondContact O-N 2.89Å; Q151-L473 HydrophobicContact CG-CD1 4.09Å
152A92.1Very high82.4Confident41 Ų4167.1 Ų67.134%0.33935%0.354SS..Hα-helixtrans-62.8-42.8173.300000111L148 V149 F155 F156L148-A152 VanDerWaalsContact O-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.38Å; V149-A152 PolarHBondContact O-N 3.3Å; A152-F155 PolarHBondContact O-N 2.98Å; A152-F156 HydrophobicContact CB-CD2 4.38Å; A152-F156 HydrophobicContact CB-CE2 4.29Å; A152-F156 WeakPolarHBondContact O-CD2 3.37Å; A152-F156 PolarHBondContact O-N 3.25Å
153S90.4Very high80.5Confident18 Ų1870.5 Ų70.513%0.12639%0.389CS..Hα-helixtrans-59.5-45.9177.2-63.30000112.7V149 F150 Q151 E157 H177V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 3.34Å; V149-S153 PolarHBondContact O-OG 3.07Å; F150-S153 WeakPolarHBondContact O-CB 3.47Å; F150-S153 PolarHBondContact O-N 3.39Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; S153-E157 PolarHBondContact O-N 2.85Å; S153-H177 WeakPolarHBondContact CB-NE2 3.36Å; S153-H177 PolarHBondContact OG-NE2 2.96Å
154E85.8Confident78.9Confident38 Ų3876.6 Ų76.618%0.17843%0.425CS..Hα-helixtrans-63.3-40.3174-72.9179.6-176.600112.1F150 Q151 E157 F178 G476F150-E154 PolarHBondContact O-N 3.34Å; F150-E154 VanDerWaalsContact O-N 3.12Å; Q151-E154 PolarHBondContact NE2-OE2 3.48Å; Q151-E154 PolarHBondContact O-N 2.94Å; E154-E157 WeakPolarHBondContact O-CB 3.23Å; E154-E157 PolarHBondContact O-N 3.47Å; E154-F178 HydrophobicContact CG-CE1 4.23Å; E154-F178 HydrophobicContact CG-CZ 3.89Å; E154-G476 VanDerWaalsContact OE1-CA 3.25Å; E154-G476 WeakPolarHBondContact OE1-CA 3.07Å
155F84.6Confident77.8Confident137 Ų13776.8 Ų76.860%0.60142%0.422SS*.Hα-helixtrans-64.6-46.3178.4-177.1-97.1000111.8Q151 A152 E157 S158Q151-F155 WeakPolarHBondContact O-CB 3.23Å; Q151-F155 PolarHBondContact O-N 2.89Å; A152-F155 PolarHBondContact O-N 2.98Å; F155-E157 VanDerWaalsContact C-N 3.32Å; F155-E157 PolarHBondContact O-N 3.34Å; F155-S158 PolarHBondContact O-N 3.48Å; F155-S158 PolarHBondContact O-OG 3Å
156F77.1Confident77.1Confident122 Ų12277.5 Ų77.554%0.53543%0.432SS..Hα-helixtrans-70.2-27.5179.6-74.2-63000113.1A152 S158 S159 F160A152-F156 HydrophobicContact CB-CD2 4.38Å; A152-F156 HydrophobicContact CB-CE2 4.29Å; A152-F156 WeakPolarHBondContact O-CD2 3.37Å; A152-F156 PolarHBondContact O-N 3.25Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 2.88Å; F156-S159 CarbonylContact O-C 3.46Å; F156-S159 WeakPolarHBondContact O-CA 3.49Å; F156-S159 WeakPolarHBondContact O-CB 3.43Å; F156-S159 PolarHBondContact O-N 3.03Å; F156-F160 WeakPolarHBondContact O-CD2 3.33Å; F156-F160 PolarHBondContact O-N 2.68Å
157E71Confident76.5Confident56 Ų5682.8 Ų82.826%0.26245%0.453SS..Hα-helixtrans-50.9-49.1171.2-172.8-165.3175.900111.1S153 E154 F155 S159 F160 Y170 Y174S153-E157 PolarHBondContact O-N 2.85Å; E154-E157 WeakPolarHBondContact O-CB 3.23Å; E154-E157 PolarHBondContact O-N 3.47Å; F155-E157 VanDerWaalsContact C-N 3.32Å; F155-E157 PolarHBondContact O-N 3.34Å; E157-S159 PolarHBondContact O-N 3.34Å; E157-F160 PolarHBondContact O-N 2.77Å; E157-Y170 VanDerWaalsContact CD-OH 3.22Å; E157-Y170 WeakPolarHBondContact CG-OH 3.46Å; E157-Y170 PolarHBondContact OE1-OH 3.35Å; E157-Y174 HydrophobicContact CB-CE2 4.03Å; E157-Y174 VanDerWaalsContact CD-CZ 3.4Å; E157-Y174 HydrophobicContact CG-CD2 3.83Å; E157-Y174 HydrophobicContact CG-CE2 3.46Å; E157-Y174 VanDerWaalsContact CG-CE2 3.46Å; E157-Y174 VanDerWaalsContact OE1-CE2 3.26Å; E157-Y174 WeakPolarHBondContact OE1-CE2 3.27Å; E157-Y174 WeakPolarHBondContact OE2-CE2 3.44Å; E157-Y174 PolarHBondContact OE2-OH 3.41Å
158S60.4Low75.9Confident97 Ų9782.5 Ų82.568%0.67845%0.449SS*.THydrogen-bonded Turntrans-60.7-20.4179.775.10000113.7F155 F156F155-S158 PolarHBondContact O-N 3.48Å; F155-S158 PolarHBondContact O-OG 3Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 2.88Å
159S55.8Low75.5Confident74 Ų7480.9 Ų80.952%0.51744%0.435SS..THydrogen-bonded Turntrans-98.9-13.3-179.1-59.20000113.3F156 E157 N161F156-S159 CarbonylContact O-C 3.46Å; F156-S159 WeakPolarHBondContact O-CA 3.49Å; F156-S159 WeakPolarHBondContact O-CB 3.43Å; F156-S159 PolarHBondContact O-N 3.03Å; E157-S159 PolarHBondContact O-N 3.34Å; S159-N161 PolarHBondContact O-N 3.29Å
160F55.2Low75.1Confident144 Ų14481.5 Ų81.563%0.63244%0.435SS*.SBendtrans-72.395.4177.2-97.2-79.4000109.8F156 E157 L162F156-F160 WeakPolarHBondContact O-CD2 3.33Å; F156-F160 PolarHBondContact O-N 2.68Å; E157-F160 PolarHBondContact O-N 2.77Å; F160-L162 PolarHBondContact O-N 2.93Å
161N52.7Low74.7Confident161 Ų16183.7 Ų83.786%0.86145%0.446SS*.  trans-56113.5172.7-103.1-29.1000110.5S159 G163S159-N161 PolarHBondContact O-N 3.29Å; N161-G163 PolarHBondContact O-N 3.47Å
162L54.7Low74.5Confident82 Ų8280.3 Ų80.343%0.42943%0.43SS..  trans-61.1-2.1-179.3-141.790.8000114.5F160 L164 M165 Y167 Y170F160-L162 PolarHBondContact O-N 2.93Å; L162-L164 PolarHBondContact O-N 2.96Å; L162-M165 PolarHBondContact O-N 3.3Å; L162-Y167 HydrophobicContact CD2-CD2 4.31Å; L162-Y170 HydrophobicContact CD1-CD1 4.11Å; L162-Y170 HydrophobicContact CD1-CD2 3.77Å; L162-Y170 HydrophobicContact CD1-CE1 4.45Å; L162-Y170 HydrophobicContact CD1-CE2 4.09Å; L162-Y170 HydrophobicContact CD1-CG 3.76Å
163G55.6Low74.4Confident71 Ų7179.4 Ų79.473%0.73242%0.419SS*.THydrogen-bonded Turntrans-64.1-1.8-152.700000118.3N161N161-G163 PolarHBondContact O-N 3.47Å
164L60.1Low74.3Confident183 Ų18381.6 Ų81.696%0.95843%0.425SS*.THydrogen-bonded Turntrans-134-9.3178.9-70.5170.4000114.7L162L162-L164 PolarHBondContact O-N 2.96Å
165M73Confident74.5Confident74 Ų7480.9 Ų80.937%0.36543%0.426SS..SBendtrans-116.3140.1-171.9-167.5153.575.100110.5L162 W169 L173L162-M165 PolarHBondContact O-N 3.3Å; M165-W169 HydrophobicContact CE-CB 4.39Å; M165-W169 HydrophobicContact CG-CB 3.49Å; M165-W169 VanDerWaalsContact CG-CB 3.49Å; M165-W169 HydrophobicContact CG-CG 4.34Å; M165-W169 HydrophobicContact SD-CB 3.85Å; M165-L173 HydrophobicContact CE-CD1 3.42Å; M165-L173 VanDerWaalsContact CE-CD1 3.42Å; M165-L173 HydrophobicContact CE-CG 4.14Å; M165-L173 HydrophobicContact SD-CD1 3.85Å
166S82.9Confident74.8Confident58 Ų5874.3 Ų74.341%0.40640%0.397SS..  trans-60.5146.2174.281.70000109.6D168 W169 Y170S166-D168 PolarHBondContact O-N 3.13Å; S166-W169 PolarHBondContact O-N 2.64Å; S166-W169 VanDerWaalsContact O-N 3.13Å; S166-W169 PolarHBondContact OG-N 3.34Å; S166-Y170 PolarHBondContact O-N 3.46Å; S166-Y170 VanDerWaalsContact O-N 3.1Å
167Y82.7Confident75.6Confident113 Ų11370.3 Ų70.344%0.44338%0.38SS..Hα-helixtrans-56.5-33.7179-177-114.9000112L63 L162 Y170 M171L63-Y167 HydrophobicContact CD1-CD1 3.85Å; L63-Y167 HydrophobicContact CD1-CE1 3.49Å; L63-Y167 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y167 HydrophobicContact CD2-CD1 4.39Å; L63-Y167 HydrophobicContact CD2-CE1 3.35Å; L63-Y167 WeakPolarHBondContact CD2-OH 3.47Å; L63-Y167 HydrophobicContact CG-CE1 4.03Å; L162-Y167 HydrophobicContact CD2-CD2 4.31Å; Y167-Y170 HydrophobicContact CD2-CD1 4.3Å; Y167-Y170 HydrophobicContact CE2-CD1 4.28Å; Y167-Y170 WeakPolarHBondContact O-CB 3.33Å; Y167-Y170 PolarHBondContact O-N 3.45Å; Y167-M171 HydrophobicContact CD1-CG 4.49Å; Y167-M171 HydrophobicContact CE1-CG 4.2Å; Y167-M171 HydrophobicContact CE1-SD 4.48Å; Y167-M171 HydrophobicContact CE2-CG 4.34Å; Y167-M171 HydrophobicContact CE2-SD 4.02Å; Y167-M171 WeakPolarHBondContact O-CG 3.24Å; Y167-M171 PolarHBondContact O-N 3.06Å
168D83.8Confident76.6Confident56 Ų5668 Ų6830%0.29937%0.369SS..Hα-helixtrans-63.5-44.6178-63.6-24.6000112.5L67 L70 S166 M171 I172L67-D168 VanDerWaalsContact CD2-CA 3.4Å; L67-D168 HydrophobicContact CD2-CB 3.56Å; L67-D168 WeakPolarHBondContact CD2-O 3.41Å; L70-D168 HydrophobicContact CD2-CB 4.04Å; S166-D168 PolarHBondContact O-N 3.13Å; D168-M171 PolarHBondContact O-N 2.96Å; D168-I172 PolarHBondContact O-N 3.05Å
169W86.6Confident78.2Confident78 Ų7864 Ų6430%0.29534%0.339SS..Hα-helixtrans-64.1-43.7175.5-79.4116000111.3L70 F74 L112 V113 M165 S166 M171 I172 L173L70-W169 HydrophobicContact CD1-CH2 3.95Å; L70-W169 HydrophobicContact CD1-CZ2 3.63Å; L70-W169 HydrophobicContact CD2-CD2 3.99Å; L70-W169 HydrophobicContact CD2-CE3 4.32Å; L70-W169 HydrophobicContact CD2-CG 4.35Å; L70-W169 HydrophobicContact CD2-CZ2 4.46Å; F74-W169 AromaticContact CE1-CH2 3.85Å; F74-W169 HydrophobicContact CE1-CH2 3.85Å; F74-W169 HydrophobicContact CE1-CZ3 4.17Å; F74-W169 AromaticContact CZ-CH2 3.78Å; F74-W169 HydrophobicContact CZ-CH2 3.78Å; F74-W169 AromaticContact CZ-CZ3 3.62Å; F74-W169 HydrophobicContact CZ-CZ3 3.62Å; L112-W169 WeakPolarHBondContact O-CH2 3.37Å; L112-W169 WeakPolarHBondContact O-CZ3 3.23Å; V113-W169 HydrophobicContact CG1-CZ3 3.97Å; M165-W169 HydrophobicContact CE-CB 4.39Å; M165-W169 HydrophobicContact CG-CB 3.49Å; M165-W169 VanDerWaalsContact CG-CB 3.49Å; M165-W169 HydrophobicContact CG-CG 4.34Å; M165-W169 HydrophobicContact SD-CB 3.85Å; S166-W169 PolarHBondContact O-N 2.64Å; S166-W169 VanDerWaalsContact O-N 3.13Å; S166-W169 PolarHBondContact OG-N 3.34Å; W169-M171 VanDerWaalsContact C-N 3.31Å; W169-M171 PolarHBondContact O-N 3.32Å; W169-I172 PolarHBondContact O-N 3.36Å; W169-L173 WeakPolarHBondContact O-CG 3.31Å; W169-L173 PolarHBondContact O-N 2.94Å
170Y85.8Confident80.1Confident37 Ų3760.7 Ų60.715%0.14532%0.315CS..Hα-helixtrans-52.5-48.8175.9169.7-93.7000111.9E157 L162 S166 Y167 I172 L173 Y174E157-Y170 VanDerWaalsContact CD-OH 3.22Å; E157-Y170 WeakPolarHBondContact CG-OH 3.46Å; E157-Y170 PolarHBondContact OE1-OH 3.35Å; L162-Y170 HydrophobicContact CD1-CD1 4.11Å; L162-Y170 HydrophobicContact CD1-CD2 3.77Å; L162-Y170 HydrophobicContact CD1-CE1 4.45Å; L162-Y170 HydrophobicContact CD1-CE2 4.09Å; L162-Y170 HydrophobicContact CD1-CG 3.76Å; S166-Y170 PolarHBondContact O-N 3.46Å; S166-Y170 VanDerWaalsContact O-N 3.1Å; Y167-Y170 HydrophobicContact CD2-CD1 4.3Å; Y167-Y170 HydrophobicContact CE2-CD1 4.28Å; Y167-Y170 WeakPolarHBondContact O-CB 3.33Å; Y167-Y170 PolarHBondContact O-N 3.45Å; Y170-I172 PolarHBondContact O-N 3.24Å; Y170-L173 PolarHBondContact O-N 3.33Å; Y170-Y174 WeakPolarHBondContact O-CB 3.5Å; Y170-Y174 PolarHBondContact O-N 3.06Å
171M86.5Confident82Confident47 Ų4753.8 Ų53.823%0.23229%0.285CS..Hα-helixtrans-63-38.7-179.3-66.1-58.3-61.800113.2L63 L67 Y167 D168 W169 A175L63-M171 HydrophobicContact CD2-CE 3.98Å; L63-M171 HydrophobicContact CD2-CG 3.98Å; L63-M171 HydrophobicContact CD2-SD 4.16Å; L67-M171 HydrophobicContact CD1-CB 3.71Å; L67-M171 HydrophobicContact CD1-CG 4.48Å; L67-M171 HydrophobicContact CD2-CB 4.17Å; Y167-M171 HydrophobicContact CD1-CG 4.49Å; Y167-M171 HydrophobicContact CE1-CG 4.2Å; Y167-M171 HydrophobicContact CE1-SD 4.48Å; Y167-M171 HydrophobicContact CE2-CG 4.34Å; Y167-M171 HydrophobicContact CE2-SD 4.02Å; Y167-M171 WeakPolarHBondContact O-CG 3.24Å; Y167-M171 PolarHBondContact O-N 3.06Å; D168-M171 PolarHBondContact O-N 2.96Å; W169-M171 VanDerWaalsContact C-N 3.31Å; W169-M171 PolarHBondContact O-N 3.32Å; M171-A175 WeakPolarHBondContact O-CB 3.29Å; M171-A175 PolarHBondContact O-N 3.08Å
172I88.1Confident84Confident0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-66-46.6176.5-67.4178.7000110.6L70 F74 D168 W169 Y170 Y174 A175 A176 L232L70-I172 HydrophobicContact CB-CD1 4.44Å; L70-I172 HydrophobicContact CD2-CD1 3.53Å; L70-I172 HydrophobicContact CG-CD1 3.77Å; F74-I172 HydrophobicContact CE2-CD1 4.4Å; F74-I172 HydrophobicContact CE2-CG2 4.46Å; D168-I172 PolarHBondContact O-N 3.05Å; W169-I172 PolarHBondContact O-N 3.36Å; Y170-I172 PolarHBondContact O-N 3.24Å; I172-Y174 VanDerWaalsContact C-N 3.35Å; I172-A175 PolarHBondContact O-N 3.23Å; I172-A176 WeakPolarHBondContact O-CB 3.35Å; I172-A176 PolarHBondContact O-N 3.43Å; I172-L232 HydrophobicContact CG1-CD1 4.31Å
173L88.9Confident86Confident22 Ų2242.4 Ų42.412%0.11522%0.224CC..Hα-helixtrans-66.8-39.5-179.7-59.6-164.8000111.5V113 I117 M165 W169 Y170 A176 H177V113-L173 HydrophobicContact CB-CD2 3.77Å; V113-L173 HydrophobicContact CG1-CD2 3.82Å; I117-L173 HydrophobicContact CD1-CB 4.17Å; I117-L173 HydrophobicContact CD1-CD2 3.91Å; I117-L173 HydrophobicContact CD1-CG 4.46Å; I117-L173 HydrophobicContact CG1-CD2 3.71Å; M165-L173 HydrophobicContact CE-CD1 3.42Å; M165-L173 VanDerWaalsContact CE-CD1 3.42Å; M165-L173 HydrophobicContact CE-CG 4.14Å; M165-L173 HydrophobicContact SD-CD1 3.85Å; W169-L173 WeakPolarHBondContact O-CG 3.31Å; W169-L173 PolarHBondContact O-N 2.94Å; Y170-L173 PolarHBondContact O-N 3.33Å; L173-A176 PolarHBondContact O-N 3.02Å; L173-H177 PolarHBondContact O-N 2.95Å
174Y88.3Confident87.9Confident64 Ų6439 Ų3925%0.25119%0.19SC..Hα-helixtrans-57.7-53.3175.1178.1-101.2000111.1E157 Y170 I172 A176 H177 F178E157-Y174 HydrophobicContact CB-CE2 4.03Å; E157-Y174 VanDerWaalsContact CD-CZ 3.4Å; E157-Y174 HydrophobicContact CG-CD2 3.83Å; E157-Y174 HydrophobicContact CG-CE2 3.46Å; E157-Y174 VanDerWaalsContact CG-CE2 3.46Å; E157-Y174 VanDerWaalsContact OE1-CE2 3.26Å; E157-Y174 WeakPolarHBondContact OE1-CE2 3.27Å; E157-Y174 WeakPolarHBondContact OE2-CE2 3.44Å; E157-Y174 PolarHBondContact OE2-OH 3.41Å; Y170-Y174 WeakPolarHBondContact O-CB 3.5Å; Y170-Y174 PolarHBondContact O-N 3.06Å; I172-Y174 VanDerWaalsContact C-N 3.35Å; Y174-A176 VanDerWaalsContact C-N 3.33Å; Y174-A176 PolarHBondContact O-N 2.95Å; Y174-H177 WeakPolarHBondContact O-CB 3.44Å; Y174-H177 PolarHBondContact O-N 3.29Å; Y174-F178 HydrophobicContact CD2-CE2 4.02Å; Y174-F178 HydrophobicContact CE1-CD2 4.19Å; Y174-F178 AromaticContact CE1-CE2 3.98Å; Y174-F178 HydrophobicContact CE1-CE2 3.98Å; Y174-F178 HydrophobicContact CE2-CD2 4.13Å; Y174-F178 AromaticContact CE2-CE2 3.32Å; Y174-F178 HydrophobicContact CE2-CE2 3.32Å; Y174-F178 HydrophobicContact CE2-CZ 4.17Å; Y174-F178 AromaticContact CZ-CE2 3.34Å; Y174-F178 WeakPolarHBondContact O-CD2 3.46Å; Y174-F178 PolarHBondContact O-N 2.85Å
175A89.8Confident89.7Confident22 Ų2230.3 Ų30.318%0.18214%0.144CC..Hα-helixtrans-62-42.3177.800000111.7M171 I172 H177 F178 Y179 L232M171-A175 WeakPolarHBondContact O-CB 3.29Å; M171-A175 PolarHBondContact O-N 3.08Å; I172-A175 PolarHBondContact O-N 3.23Å; A175-H177 VanDerWaalsContact C-N 3.29Å; A175-H177 PolarHBondContact O-N 2.92Å; A175-F178 PolarHBondContact O-N 3.48Å; A175-Y179 VanDerWaalsContact O-CD2 3.24Å; A175-Y179 WeakPolarHBondContact O-CD2 3.22Å; A175-Y179 PolarHBondContact O-N 3.44Å; A175-Y179 VanDerWaalsContact O-N 3.16Å; A175-L232 HydrophobicContact CB-CD2 3.34Å; A175-L232 HydrophobicContact CB-CG 4.32Å
176A92.1Very high90.8Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-56.8-41.2177.200000112.2I117 I172 L173 Y174 F178 Y179 I180 L231I117-A176 HydrophobicContact CD1-CB 4.29Å; I172-A176 WeakPolarHBondContact O-CB 3.35Å; I172-A176 PolarHBondContact O-N 3.43Å; L173-A176 PolarHBondContact O-N 3.02Å; Y174-A176 VanDerWaalsContact C-N 3.33Å; Y174-A176 PolarHBondContact O-N 2.95Å; A176-F178 PolarHBondContact O-N 2.95Å; A176-Y179 WeakPolarHBondContact O-CB 3.37Å; A176-Y179 PolarHBondContact O-N 3.18Å; A176-I180 VanDerWaalsContact O-CG1 3.23Å; A176-I180 WeakPolarHBondContact O-CG1 3.49Å; A176-I180 PolarHBondContact O-N 3.07Å; A176-L231 HydrophobicContact CB-CD2 3.74Å
177H93.1Very high91.3Very high37 Ų3724 Ų2417%0.17111%0.108CC..Hα-helixtrans-56.2-50.5176.6176.868.1000112.4D120 S153 L173 Y174 A175 Y179 I180 V181D120-H177 IonicContact OD1-CE1 3.13Å; D120-H177 PolarHBondContact OD1-CE1 2.95Å; D120-H177 IonicContact OD1-ND1 3.83Å; D120-H177 PolarHBondContact OD1-ND1 3.14Å; D120-H177 IonicContact OD2-CE1 2.78Å; D120-H177 IonicContact OD2-CG 2.54Å; D120-H177 IonicContact OD2-ND1 2.67Å; D120-H177 PolarHBondContact OD2-ND1 3.32Å; S153-H177 WeakPolarHBondContact CB-NE2 3.36Å; S153-H177 PolarHBondContact OG-NE2 2.96Å; L173-H177 PolarHBondContact O-N 2.95Å; Y174-H177 WeakPolarHBondContact O-CB 3.44Å; Y174-H177 PolarHBondContact O-N 3.29Å; A175-H177 VanDerWaalsContact C-N 3.29Å; A175-H177 PolarHBondContact O-N 2.92Å; H177-Y179 VanDerWaalsContact C-N 3.29Å; H177-Y179 PolarHBondContact O-N 3.11Å; H177-I180 WeakPolarHBondContact O-CA 3.34Å; H177-I180 WeakPolarHBondContact O-CB 3.45Å; H177-I180 PolarHBondContact O-N 3.29Å; H177-V181 WeakPolarHBondContact O-CG2 3.49Å; H177-V181 PolarHBondContact O-N 3.2Å
178F93.4Very high91.9Very high8 Ų818.7 Ų18.74%0.0359%0.086CC..Hα-helixtrans-65.3-32.3178.9-75.7-90.8000112.6F150 E154 Y174 A175 A176 L182 Y474F150-F178 AromaticContact CD1-CD1 3.66Å; F150-F178 HydrophobicContact CD1-CD1 3.66Å; F150-F178 AromaticContact CD1-CE1 3.84Å; F150-F178 HydrophobicContact CD1-CE1 3.84Å; F150-F178 AromaticContact CE1-CD1 3.78Å; F150-F178 HydrophobicContact CE1-CD1 3.78Å; F150-F178 HydrophobicContact CE1-CE1 4.42Å; E154-F178 HydrophobicContact CG-CE1 4.23Å; E154-F178 HydrophobicContact CG-CZ 3.89Å; Y174-F178 HydrophobicContact CD2-CE2 4.02Å; Y174-F178 HydrophobicContact CE1-CD2 4.19Å; Y174-F178 AromaticContact CE1-CE2 3.98Å; Y174-F178 HydrophobicContact CE1-CE2 3.98Å; Y174-F178 HydrophobicContact CE2-CD2 4.13Å; Y174-F178 AromaticContact CE2-CE2 3.32Å; Y174-F178 HydrophobicContact CE2-CE2 3.32Å; Y174-F178 HydrophobicContact CE2-CZ 4.17Å; Y174-F178 AromaticContact CZ-CE2 3.34Å; Y174-F178 WeakPolarHBondContact O-CD2 3.46Å; Y174-F178 PolarHBondContact O-N 2.85Å; A175-F178 PolarHBondContact O-N 3.48Å; A176-F178 PolarHBondContact O-N 2.95Å; F178-L182 WeakPolarHBondContact O-CG 3.41Å; F178-L182 PolarHBondContact O-N 3.23Å; F178-Y474 HydrophobicContact CB-CE2 3.91Å
179Y93.2Very high92.3Very high14 Ų1416.1 Ų16.16%0.0557%0.073CC..Hα-helixtrans-65.9-39.4169.5-82.3-78.1000112.2A175 A176 H177 L182 R183 L232 G233 Y345A175-Y179 VanDerWaalsContact O-CD2 3.24Å; A175-Y179 WeakPolarHBondContact O-CD2 3.22Å; A175-Y179 PolarHBondContact O-N 3.44Å; A175-Y179 VanDerWaalsContact O-N 3.16Å; A176-Y179 WeakPolarHBondContact O-CB 3.37Å; A176-Y179 PolarHBondContact O-N 3.18Å; H177-Y179 VanDerWaalsContact C-N 3.29Å; H177-Y179 PolarHBondContact O-N 3.11Å; Y179-L182 PolarHBondContact O-N 2.69Å; Y179-R183 WeakPolarHBondContact O-CB 3.47Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.14Å; Y179-R183 PolarHBondContact O-N 3.2Å; Y179-L232 HydrophobicContact CE2-CD2 4.44Å; Y179-G233 WeakPolarHBondContact CE1-O 3.34Å; Y179-Y345 PolarHBondContact OH-OH 2.94Å; Y179-Y345 VanDerWaalsContact OH-OH 3.04Å
180I95.1Very high92.6Very high3 Ų313 Ų132%0.0156%0.063CC..Hα-helixtrans-62-44.5176-70.1162.5000110.7I117 D120 V121 N124 A176 H177 R183 S184 L230I117-I180 HydrophobicContact CG2-CD1 4.08Å; D120-I180 HydrophobicContact CB-CD1 4.36Å; D120-I180 WeakPolarHBondContact OD2-CD1 3.43Å; V121-I180 HydrophobicContact CG2-CD1 3.61Å; V121-I180 HydrophobicContact CG2-CG1 3.77Å; V121-I180 HydrophobicContact CG2-CG2 4.19Å; N124-I180 HydrophobicContact CB-CG2 3.8Å; A176-I180 VanDerWaalsContact O-CG1 3.23Å; A176-I180 WeakPolarHBondContact O-CG1 3.49Å; A176-I180 PolarHBondContact O-N 3.07Å; H177-I180 WeakPolarHBondContact O-CA 3.34Å; H177-I180 WeakPolarHBondContact O-CB 3.45Å; H177-I180 PolarHBondContact O-N 3.29Å; I180-R183 PolarHBondContact O-N 3.28Å; I180-S184 WeakPolarHBondContact O-CB 3.38Å; I180-S184 PolarHBondContact O-N 2.93Å; I180-S184 PolarHBondContact O-OG 2.64Å; I180-L230 HydrophobicContact CD1-CD1 3.93Å; I180-L230 HydrophobicContact CG1-CD1 3.5Å
181V95.6Very high92.6Very high0 Ų013.8 Ų13.80%07%0.067CC..Hα-helixtrans-59.7-48.1174.7176.80000110.3F128 V149 F150 H177 R183 S184 L185F128-V181 HydrophobicContact CE2-CG1 4.08Å; F128-V181 HydrophobicContact CZ-CG1 3.92Å; V149-V181 HydrophobicContact CG1-CG1 3.98Å; V149-V181 HydrophobicContact CG1-CG2 4.09Å; F150-V181 HydrophobicContact CD1-CG1 4.3Å; F150-V181 HydrophobicContact CD2-CG1 4.17Å; F150-V181 HydrophobicContact CE1-CB 4.37Å; F150-V181 HydrophobicContact CE1-CG1 3.88Å; F150-V181 HydrophobicContact CE2-CG1 3.74Å; F150-V181 HydrophobicContact CG-CG1 4.42Å; F150-V181 HydrophobicContact CZ-CB 4.32Å; F150-V181 HydrophobicContact CZ-CG1 3.57Å; H177-V181 WeakPolarHBondContact O-CG2 3.49Å; H177-V181 PolarHBondContact O-N 3.2Å; V181-R183 PolarHBondContact O-N 2.99Å; V181-S184 PolarHBondContact O-N 3.39Å; V181-L185 WeakPolarHBondContact O-CB 3.3Å; V181-L185 PolarHBondContact O-N 3.29Å
182L95.5Very high92.6Very high1 Ų111.6 Ų11.61%0.0056%0.056CC..Hα-helixtrans-59.6-42.7177.5-79.7175.6000113.4F150 F178 Y179 L185 S186 L235 F428 F470 Y474F150-L182 HydrophobicContact CZ-CD2 3.9Å; F150-L182 HydrophobicContact CZ-CG 4.13Å; F178-L182 WeakPolarHBondContact O-CG 3.41Å; F178-L182 PolarHBondContact O-N 3.23Å; Y179-L182 PolarHBondContact O-N 2.69Å; L182-L185 PolarHBondContact O-N 3.13Å; L182-S186 PolarHBondContact O-N 3.2Å; L182-L235 HydrophobicContact CB-CD1 4.13Å; L182-L235 HydrophobicContact CB-CD2 4.31Å; L182-L235 HydrophobicContact CD1-CD2 4.24Å; L182-F428 HydrophobicContact CD2-CE1 4.24Å; L182-F428 HydrophobicContact CD2-CE2 4.42Å; L182-F428 HydrophobicContact CD2-CZ 4.16Å; L182-F470 HydrophobicContact CD2-CE1 4.03Å; L182-F470 HydrophobicContact CD2-CZ 3.48Å; L182-F470 VanDerWaalsContact CD2-CZ 3.48Å; L182-Y474 HydrophobicContact CD1-CD2 3.73Å; L182-Y474 HydrophobicContact CD1-CE2 3.21Å; L182-Y474 HydrophobicContact CD2-CD2 4.4Å; L182-Y474 HydrophobicContact CG-CD2 4.14Å; L182-Y474 HydrophobicContact CG-CE2 3.96Å
183R95.8Very high92.3Very high2 Ų215.6 Ų15.61%0.0087%0.074CC..Hα-helixtrans-64.1-45.3176.6-71.6176.689.288.46.6111Y179 I180 V181 L185 S186 V187 Y223 A229 L235Y179-R183 WeakPolarHBondContact O-CB 3.47Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.14Å; Y179-R183 PolarHBondContact O-N 3.2Å; I180-R183 PolarHBondContact O-N 3.28Å; V181-R183 PolarHBondContact O-N 2.99Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 3.39Å; R183-S186 WeakPolarHBondContact O-CB 3.27Å; R183-S186 PolarHBondContact O-N 3.09Å; R183-S186 VanDerWaalsContact O-N 3.12Å; R183-V187 PolarHBondContact O-N 3.31Å; R183-Y223 HydrophobicContact CB-CE1 3.71Å; R183-Y223 HydrophobicContact CG-CE1 4.23Å; R183-Y223 PolarHBondContact NE-O 3.39Å; R183-Y223 PolarHBondContact NH2-O 3.05Å; R183-Y223 WeakPolarHBondContact O-CE1 3.47Å; R183-A229 PolarHBondContact NH1-O 2.95Å; R183-A229 VanDerWaalsContact NH1-O 3.11Å; R183-L235 HydrophobicContact CG-CD1 3.93Å
184S96.5Very high91.4Very high1 Ų117.5 Ų17.51%0.0079%0.089CC..Hα-helixtrans-64.5-38.5178.8-56.50000111.5N124 V125 F128 I180 V181 V187 A188N124-S184 WeakPolarHBondContact CB-OG 3.3Å; V125-S184 PolarHBondContact N-OG 3.4Å; F128-S184 WeakPolarHBondContact CB-O 3.28Å; I180-S184 WeakPolarHBondContact O-CB 3.38Å; I180-S184 PolarHBondContact O-N 2.93Å; I180-S184 PolarHBondContact O-OG 2.64Å; V181-S184 PolarHBondContact O-N 3.39Å; S184-V187 WeakPolarHBondContact O-CB 3.32Å; S184-V187 PolarHBondContact O-N 3.04Å; S184-A188 PolarHBondContact O-N 3.31Å
185L96.7Very high90Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-64.9-41.5170.8179.756.3000112.2F128 M142 W143 A146 F150 V181 L182 R183 V187 A188 L189 F428 F470F128-L185 HydrophobicContact CD1-CB 4.16Å; F128-L185 HydrophobicContact CD1-CD1 4.3Å; F128-L185 HydrophobicContact CE1-CB 3.8Å; F128-L185 HydrophobicContact CE1-CD1 3.91Å; F128-L185 HydrophobicContact CE1-CG 4.39Å; F128-L185 HydrophobicContact CZ-CB 4.37Å; M142-L185 HydrophobicContact CE-CD1 4.03Å; W143-L185 HydrophobicContact CE3-CD2 4.47Å; W143-L185 HydrophobicContact CH2-CD2 4.23Å; W143-L185 HydrophobicContact CZ3-CD2 3.83Å; A146-L185 HydrophobicContact CB-CD1 3.77Å; A146-L185 HydrophobicContact CB-CD2 3.86Å; A146-L185 HydrophobicContact CB-CG 4.42Å; F150-L185 HydrophobicContact CE2-CD2 4.25Å; V181-L185 WeakPolarHBondContact O-CB 3.3Å; V181-L185 PolarHBondContact O-N 3.29Å; L182-L185 PolarHBondContact O-N 3.13Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-L185 PolarHBondContact O-N 3.39Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 PolarHBondContact O-N 3.45Å; L185-A188 PolarHBondContact O-N 2.89Å; L185-L189 HydrophobicContact CD1-CD1 3.66Å; L185-L189 HydrophobicContact CD1-CD2 4.38Å; L185-L189 HydrophobicContact CD1-CG 3.76Å; L185-L189 HydrophobicContact CG-CD1 3.77Å; L185-L189 HydrophobicContact CG-CG 4.3Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.32Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.17Å; L185-F428 HydrophobicContact CB-CZ 4.48Å; L185-F428 HydrophobicContact CD2-CE1 4.45Å; L185-F428 HydrophobicContact CD2-CZ 3.69Å; L185-F428 HydrophobicContact CG-CE2 4.47Å; L185-F428 HydrophobicContact CG-CZ 3.9Å; L185-F470 HydrophobicContact CD2-CE2 4.29Å
186S95.8Very high88.6Confident0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-60.5-37.3174.5178.70000112.1L182 R183 S190 Y238 Y432L182-S186 PolarHBondContact O-N 3.2Å; R183-S186 WeakPolarHBondContact O-CB 3.27Å; R183-S186 PolarHBondContact O-N 3.09Å; R183-S186 VanDerWaalsContact O-N 3.12Å; S186-S190 WeakPolarHBondContact O-CB 3.42Å; S186-S190 PolarHBondContact O-N 3.39Å; S186-S190 PolarHBondContact O-OG 3.46Å; S186-Y238 PolarHBondContact OG-N 3.15Å; S186-Y432 PolarHBondContact O-OH 3.47Å; S186-Y432 PolarHBondContact OG-OH 2.59Å
187V94.9Very high87.1Confident0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-61.5-55.6172.7157.20000109.9R183 S184 L185 L189 S190 F191 L220 Y223 Y238R183-V187 PolarHBondContact O-N 3.31Å; S184-V187 WeakPolarHBondContact O-CB 3.32Å; S184-V187 PolarHBondContact O-N 3.04Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 PolarHBondContact O-N 3.45Å; V187-L189 VanDerWaalsContact C-N 3.35Å; V187-L189 PolarHBondContact O-N 3.47Å; V187-S190 WeakPolarHBondContact O-CB 3.3Å; V187-S190 PolarHBondContact O-N 3.11Å; V187-S190 VanDerWaalsContact O-N 3.09Å; V187-F191 HydrophobicContact CG1-CD2 3.99Å; V187-F191 HydrophobicContact CG1-CE2 3.59Å; V187-F191 HydrophobicContact CG1-CZ 4.44Å; V187-F191 PolarHBondContact O-N 3.33Å; V187-F191 VanDerWaalsContact O-N 3.14Å; V187-L220 HydrophobicContact CB-CD2 4.07Å; V187-L220 HydrophobicContact CG1-CD2 3.25Å; V187-L220 HydrophobicContact CG1-CG 4.49Å; V187-L220 HydrophobicContact CG2-CD2 3.64Å; V187-Y223 HydrophobicContact CG2-CD1 3.69Å; V187-Y223 HydrophobicContact CG2-CE1 3.72Å; V187-Y238 HydrophobicContact CG2-CD1 4.26Å; V187-Y238 HydrophobicContact CG2-CD2 3.75Å; V187-Y238 HydrophobicContact CG2-CE2 4.22Å; V187-Y238 HydrophobicContact CG2-CG 3.76Å
188A94.5Very high85.2Confident0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-56.9-47.6-176.200000112F128 S132 M142 S184 L185 S190 F191 Q192F128-A188 HydrophobicContact CB-CB 4.16Å; F128-A188 HydrophobicContact CD1-CB 4.12Å; S132-A188 PolarHBondContact OG-O 3.32Å; M142-A188 HydrophobicContact CE-CB 3.57Å; M142-A188 HydrophobicContact CG-CB 4.48Å; M142-A188 HydrophobicContact SD-CB 3.72Å; S184-A188 PolarHBondContact O-N 3.31Å; L185-A188 PolarHBondContact O-N 2.89Å; A188-S190 VanDerWaalsContact C-N 3.31Å; A188-S190 PolarHBondContact O-N 3.34Å; A188-F191 PolarHBondContact O-N 3.34Å; A188-Q192 WeakPolarHBondContact O-CG 3.47Å; A188-Q192 PolarHBondContact O-N 3Å; A188-Q192 VanDerWaalsContact O-N 3.12Å
189L93.3Very high83.1Confident3 Ų331.9 Ų31.92%0.01616%0.163CC..Hα-helixtrans-68.8-27.1-179.9-66172.7000113.2Y139 M142 W143 L185 V187 K193 F428 Y432Y139-L189 HydrophobicContact CD1-CD2 4.25Å; M142-L189 HydrophobicContact CG-CD2 3.93Å; W143-L189 HydrophobicContact CH2-CD1 4.08Å; W143-L189 HydrophobicContact CZ2-CD1 3.72Å; L185-L189 HydrophobicContact CD1-CD1 3.66Å; L185-L189 HydrophobicContact CD1-CD2 4.38Å; L185-L189 HydrophobicContact CD1-CG 3.76Å; L185-L189 HydrophobicContact CG-CD1 3.77Å; L185-L189 HydrophobicContact CG-CG 4.3Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.32Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.17Å; V187-L189 VanDerWaalsContact C-N 3.35Å; V187-L189 PolarHBondContact O-N 3.47Å; L189-K193 WeakPolarHBondContact O-CB 3.42Å; L189-K193 PolarHBondContact O-N 3.01Å; L189-F428 HydrophobicContact CD1-CZ 4.44Å; L189-Y432 HydrophobicContact CB-CD1 3.72Å; L189-Y432 HydrophobicContact CB-CE1 3.8Å; L189-Y432 HydrophobicContact CB-CG 4.28Å; L189-Y432 HydrophobicContact CD1-CD1 4.02Å; L189-Y432 HydrophobicContact CD1-CD2 4.11Å; L189-Y432 HydrophobicContact CD1-CG 3.72Å
190S91.2Very high81.1Confident12 Ų1238.6 Ų38.68%0.08420%0.195CC..Hα-helixtrans-70.8-36.5173.8-64.90000112.2S186 V187 A188 S194 Y432S186-S190 WeakPolarHBondContact O-CB 3.42Å; S186-S190 PolarHBondContact O-N 3.39Å; S186-S190 PolarHBondContact O-OG 3.46Å; V187-S190 WeakPolarHBondContact O-CB 3.3Å; V187-S190 PolarHBondContact O-N 3.11Å; V187-S190 VanDerWaalsContact O-N 3.09Å; A188-S190 VanDerWaalsContact C-N 3.31Å; A188-S190 PolarHBondContact O-N 3.34Å; S190-S194 PolarHBondContact O-N 3.2Å; S190-S194 VanDerWaalsContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.3Å; S190-Y432 PolarHBondContact OG-OH 2.94Å; S190-Y432 VanDerWaalsContact OG-OH 3.05Å
191F87.3Confident78.9Confident54 Ų5442.4 Ų42.424%0.23721%0.212CC..Hα-helixtrans-66.6-43.2172.8-69.8-43.4000111.7V187 A188 K193 S194 S195 T216 L220 Y238V187-F191 HydrophobicContact CG1-CD2 3.99Å; V187-F191 HydrophobicContact CG1-CE2 3.59Å; V187-F191 HydrophobicContact CG1-CZ 4.44Å; V187-F191 PolarHBondContact O-N 3.33Å; V187-F191 VanDerWaalsContact O-N 3.14Å; A188-F191 PolarHBondContact O-N 3.34Å; F191-K193 VanDerWaalsContact C-N 3.35Å; F191-K193 PolarHBondContact O-N 3.16Å; F191-S194 PolarHBondContact O-N 3.26Å; F191-S195 PolarHBondContact O-N 3.48Å; F191-T216 HydrophobicContact CE1-CG2 3.84Å; F191-T216 HydrophobicContact CZ-CG2 3.58Å; F191-L220 HydrophobicContact CE2-CD1 3.93Å; F191-L220 HydrophobicContact CE2-CD2 3.81Å; F191-L220 HydrophobicContact CE2-CG 4.36Å; F191-L220 HydrophobicContact CZ-CD1 3.94Å; F191-L220 HydrophobicContact CZ-CD2 3.69Å; F191-L220 HydrophobicContact CZ-CG 4.07Å; F191-Y238 HydrophobicContact CE1-CE1 4.37Å; F191-Y238 HydrophobicContact CZ-CE1 4.42Å
192Q85Confident76.3Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-55.8-48.7174.1-65.7-69.3-23.300111.4S132 V135 Y139 A188 S194 S195S132-Q192 PolarHBondContact O-NE2 3.39Å; S132-Q192 PolarHBondContact OG-NE2 3.31Å; V135-Q192 PolarHBondContact O-NE2 2.99Å; Y139-Q192 HydrophobicContact CD1-CB 4.01Å; Y139-Q192 HydrophobicContact CE1-CB 3.47Å; Y139-Q192 VanDerWaalsContact CE1-CB 3.47Å; Y139-Q192 HydrophobicContact CE1-CG 4.46Å; Y139-Q192 PolarHBondContact OH-O 2.99Å; A188-Q192 WeakPolarHBondContact O-CG 3.47Å; A188-Q192 PolarHBondContact O-N 3Å; A188-Q192 VanDerWaalsContact O-N 3.12Å; Q192-S194 VanDerWaalsContact C-N 3.28Å; Q192-S194 PolarHBondContact O-N 3.45Å; Q192-S195 WeakPolarHBondContact O-CB 3.36Å; Q192-S195 PolarHBondContact O-N 3.34Å
193K81.6Confident73.5Confident85 Ų8555.2 Ų55.237%0.3729%0.29SS..Hα-helixtrans-65.7-25.8179.7-168.1174-174.8173.80114.9Y139 L189 F191 S195 D196Y139-K193 WeakPolarHBondContact OH-CA 3.5Å; Y139-K193 PolarHBondContact OH-N 3.25Å; L189-K193 WeakPolarHBondContact O-CB 3.42Å; L189-K193 PolarHBondContact O-N 3.01Å; F191-K193 VanDerWaalsContact C-N 3.35Å; F191-K193 PolarHBondContact O-N 3.16Å; K193-S195 PolarHBondContact O-N 2.87Å; K193-D196 PolarHBondContact O-N 2.84Å
194S71.3Confident70.4Confident62 Ų6258 Ų5843%0.43431%0.31SS..Hα-helixtrans-70.4-25.4175.7-60.20000111.5S190 F191 Q192 Q198S190-S194 PolarHBondContact O-N 3.2Å; S190-S194 VanDerWaalsContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.3Å; F191-S194 PolarHBondContact O-N 3.26Å; Q192-S194 VanDerWaalsContact C-N 3.28Å; Q192-S194 PolarHBondContact O-N 3.45Å; S194-Q198 WeakPolarHBondContact O-CG 3.28Å; S194-Q198 PolarHBondContact O-N 3.39Å
195S59Low67.1Low18 Ų1865.7 Ų65.713%0.12635%0.349CS..Hα-helixtrans-61.5-47.2172.8-1670000112.3F136 F191 Q192 K193 K197 Q198 T199F136-S195 WeakPolarHBondContact CE1-OG 3.41Å; F136-S195 VanDerWaalsContact CZ-OG 3.3Å; F136-S195 WeakPolarHBondContact CZ-OG 3.2Å; F191-S195 PolarHBondContact O-N 3.48Å; Q192-S195 WeakPolarHBondContact O-CB 3.36Å; Q192-S195 PolarHBondContact O-N 3.34Å; K193-S195 PolarHBondContact O-N 2.87Å; S195-K197 VanDerWaalsContact C-N 3.29Å; S195-K197 PolarHBondContact O-N 2.95Å; S195-Q198 PolarHBondContact O-N 2.92Å; S195-T199 PolarHBondContact O-N 2.82Å; S195-T199 PolarHBondContact O-OG1 3.32Å
196D60.7Low63.8Low63 Ų6370.6 Ų70.634%0.33737%0.374SS..Hα-helixtrans-60.2-40.2-178.5-61.9-14.9000111.5Y139 K193 Q198 T199 E200Y139-D196 PolarHBondContact OH-OD2 3.23Å; K193-D196 PolarHBondContact O-N 2.84Å; D196-Q198 VanDerWaalsContact C-N 3.33Å; D196-Q198 PolarHBondContact O-N 3.32Å; D196-T199 WeakPolarHBondContact CA-OG1 3.49Å; D196-T199 PolarHBondContact O-N 2.95Å; D196-T199 PolarHBondContact O-OG1 2.69Å; D196-E200 WeakPolarHBondContact O-CG 3.29Å; D196-E200 PolarHBondContact O-N 2.94Å
197K59.7Low60.5Low125 Ų12578.9 Ų78.954%0.54341%0.413SS..Hα-helixtrans-68.8-31.4177.4-71.3-175.2178.3-179.60112.8S195 K201S195-K197 VanDerWaalsContact C-N 3.29Å; S195-K197 PolarHBondContact O-N 2.95Å; K197-K201 VanDerWaalsContact O-CB 3.24Å; K197-K201 WeakPolarHBondContact O-CB 3.38Å; K197-K201 VanDerWaalsContact O-CG 3.32Å; K197-K201 WeakPolarHBondContact O-CG 3.39Å; K197-K201 PolarHBondContact O-N 3.39Å
198Q52.5Low57.4Low134 Ų13483.4 Ų83.463%0.62644%0.443SS*.Hα-helixtrans-74.7-32.1176.4-72.2-176.812.700111.7S194 S195 D196 K202S194-Q198 WeakPolarHBondContact O-CG 3.28Å; S194-Q198 PolarHBondContact O-N 3.39Å; S195-Q198 PolarHBondContact O-N 2.92Å; D196-Q198 VanDerWaalsContact C-N 3.33Å; D196-Q198 PolarHBondContact O-N 3.32Å; Q198-K202 WeakPolarHBondContact O-CG 3.45Å; Q198-K202 PolarHBondContact O-N 3.3Å
199T50.1Low54.7Low93 Ų9389.3 Ų89.357%0.57148%0.48SS*.Hα-helixtrans-72.2-40.4173.126.70000111.8S195 D196S195-T199 PolarHBondContact O-N 2.82Å; S195-T199 PolarHBondContact O-OG1 3.32Å; D196-T199 WeakPolarHBondContact CA-OG1 3.49Å; D196-T199 PolarHBondContact O-N 2.95Å; D196-T199 PolarHBondContact O-OG1 2.69Å
200E51Low52.9Low154 Ų15494.1 Ų94.172%0.7252%0.519SS*.Hα-helixtrans-68.3-39.3174.7-74.2178.4174.200113.1D196 K202D196-E200 WeakPolarHBondContact O-CG 3.29Å; D196-E200 PolarHBondContact O-N 2.94Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 2.85Å
201K48.5Very low51.9Low84 Ų8497.3 Ų97.337%0.36553%0.532SS..Hα-helixtrans-79.7-4.5-178.1-74.8-175.3174.4-170.90115.1K197 G203 S204K197-K201 VanDerWaalsContact O-CB 3.24Å; K197-K201 WeakPolarHBondContact O-CB 3.38Å; K197-K201 VanDerWaalsContact O-CG 3.32Å; K197-K201 WeakPolarHBondContact O-CG 3.39Å; K197-K201 PolarHBondContact O-N 3.39Å; K201-G203 PolarHBondContact O-N 3.48Å; K201-S204 CarbonylContact O-C 3.49Å; K201-S204 PolarHBondContact O-N 3.4Å
202K40.7Very low51.4Low189 Ų18997 Ų9782%0.82254%0.536SS*.THydrogen-bonded Turntrans-62.8-8.4173.7-89.9179.1178.9-177.20113.7Q198 E200Q198-K202 WeakPolarHBondContact O-CG 3.45Å; Q198-K202 PolarHBondContact O-N 3.3Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 2.85Å
203G37Very low51.4Low80 Ų80102.1 Ų102.183%0.82557%0.572SS**THydrogen-bonded Turntrans-94.9-4167.800000116.3K201K201-G203 PolarHBondContact O-N 3.48Å
204S30.9Very low51.7Low60 Ų60102.7 Ų102.742%0.4258%0.579SS.*SBendtrans-142.7113.5-178.264.10000110.8K201 I206K201-S204 CarbonylContact O-C 3.49Å; K201-S204 PolarHBondContact O-N 3.4Å; S204-I206 PolarHBondContact O-N 2.97Å
205I27.2Very low52.5Low164 Ų164102.2 Ų102.284%0.84157%0.57SS**  trans-59.493.7179.2-58164.1000109.4
206I28.2Very low54Low103 Ų103103.1 Ų103.153%0.52858%0.575SS.*  trans-125.5103.9163.4-60.1178.1000106.1S204 C208S204-I206 PolarHBondContact O-N 2.97Å; I206-C208 PolarHBondContact O-N 2.93Å
207H24.8Very low55.5Low174 Ų174104.7 Ų104.781%0.80658%0.582SS**  trans-56.197.2171.3-90.8-84000110.3
208C29.8Very low57.1Low95 Ų9599.7 Ų99.764%0.64256%0.561SS**  trans-88.6105156.1-69.70000106.6I206 A210I206-C208 PolarHBondContact O-N 2.93Å; C208-A210 PolarHBondContact O-N 2.91Å
209T39.7Very low59Low124 Ų12493.5 Ų93.576%0.76153%0.533SS*.  trans-53.8122.217348.10000109.4K211T209-K211 PolarHBondContact O-N 3.46Å; T209-K211 VanDerWaalsContact O-N 3.13Å
210A54.2Low61.2Low103 Ų10389.6 Ų89.685%0.85151%0.508SS*.  trans-60.5115.4177.500000109.3C208C208-A210 PolarHBondContact O-N 2.91Å
211K70.6Confident63.3Low79 Ų7983.3 Ų83.334%0.34348%0.48SS..  trans-60.7141.4171.9-76.9-175.1179177.30108.8T209 D219 E246T209-K211 PolarHBondContact O-N 3.46Å; T209-K211 VanDerWaalsContact O-N 3.13Å; K211-D219 IonicContact NZ-OD2 2.8Å; K211-D219 PolarHBondContact NZ-OD2 2.73Å; K211-D219 VanDerWaalsContact NZ-OD2 3.13Å; K211-E246 WeakPolarHBondContact CE-OE1 3.14Å; K211-E246 IonicContact NZ-OE1 3.56Å; K211-E246 PolarHBondContact NZ-OE1 3.04Å
212S77.5Confident65.5Low48 Ų4879.4 Ų79.434%0.33646%0.462SS..  trans-63.2153172.762.90000110.7L214 E215 T216S212-L214 PolarHBondContact O-N 2.68Å; S212-E215 PolarHBondContact O-N 3.07Å; S212-E215 VanDerWaalsContact O-N 3.14Å; S212-E215 WeakPolarHBondContact OG-CB 3.42Å; S212-E215 VanDerWaalsContact OG-CG 3.29Å; S212-E215 WeakPolarHBondContact OG-CG 3.32Å; S212-E215 PolarHBondContact OG-N 3.37Å; S212-T216 PolarHBondContact O-N 3.04Å; S212-T216 VanDerWaalsContact O-N 3.08Å; S212-T216 PolarHBondContact O-OG1 3.1Å
213S84.3Confident68.1Low107 Ų10770.4 Ų70.475%0.74842%0.423SS*.Hα-helixtrans-54.9-38.6174.952.80000111.8T216 L217S213-T216 PolarHBondContact O-N 3.24Å; S213-L217 PolarHBondContact O-N 2.63Å
214L87.7Confident70.9Confident97 Ų9766.7 Ų66.751%0.50839%0.385SS..Hα-helixtrans-65.3-43.5177-175.8145.1000112.5S212 T216 L217 L218S212-L214 PolarHBondContact O-N 2.68Å; L214-T216 VanDerWaalsContact C-N 3.27Å; L214-T216 PolarHBondContact O-N 3.06Å; L214-L217 PolarHBondContact O-N 3.21Å; L214-L218 HydrophobicContact CD2-CD1 3.59Å; L214-L218 HydrophobicContact CD2-CG 4.17Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.17Å
215E88.9Confident74Confident53 Ų5363.8 Ų63.825%0.24837%0.365CS..Hα-helixtrans-63-37.7176.2-79.5165.9-163.600112K95 S212 L218 D219K95-E215 WeakPolarHBondContact CE-OE1 3.25Å; K95-E215 IonicContact NZ-OE1 3.97Å; K95-E215 PolarHBondContact NZ-OE1 2.93Å; S212-E215 PolarHBondContact O-N 3.07Å; S212-E215 VanDerWaalsContact O-N 3.14Å; S212-E215 WeakPolarHBondContact OG-CB 3.42Å; S212-E215 VanDerWaalsContact OG-CG 3.29Å; S212-E215 WeakPolarHBondContact OG-CG 3.32Å; S212-E215 PolarHBondContact OG-N 3.37Å; E215-L218 PolarHBondContact O-N 3.37Å; E215-D219 WeakPolarHBondContact O-CB 3.47Å; E215-D219 PolarHBondContact O-N 3.1Å
216T89.5Confident77.2Confident37 Ų3756 Ų5623%0.22733%0.325CS..Hα-helixtrans-64.6-47.4175-54.70000110.6F191 S212 S213 L214 L218 D219 L220F191-T216 HydrophobicContact CE1-CG2 3.84Å; F191-T216 HydrophobicContact CZ-CG2 3.58Å; S212-T216 PolarHBondContact O-N 3.04Å; S212-T216 VanDerWaalsContact O-N 3.08Å; S212-T216 PolarHBondContact O-OG1 3.1Å; S213-T216 PolarHBondContact O-N 3.24Å; L214-T216 VanDerWaalsContact C-N 3.27Å; L214-T216 PolarHBondContact O-N 3.06Å; T216-L218 VanDerWaalsContact C-N 3.33Å; T216-L218 PolarHBondContact O-N 2.92Å; T216-D219 WeakPolarHBondContact O-CB 3.48Å; T216-D219 PolarHBondContact O-N 2.97Å; T216-L220 HydrophobicContact CG2-CD1 4.42Å; T216-L220 VanDerWaalsContact O-CG 3.27Å; T216-L220 WeakPolarHBondContact O-CG 3.24Å; T216-L220 PolarHBondContact O-N 3.11Å
217L91.8Very high80.4Confident96 Ų9651.4 Ų51.450%0.50330%0.301SS..Hα-helixtrans-59.8-43.3177-179.763.2000112S213 L214 L220 L221S213-L217 PolarHBondContact O-N 2.63Å; L214-L217 PolarHBondContact O-N 3.21Å; L217-L220 PolarHBondContact O-N 2.93Å; L217-L221 HydrophobicContact CD1-CD1 4.12Å; L217-L221 HydrophobicContact CD1-CG 4.13Å; L217-L221 HydrophobicContact CG-CD1 4.11Å; L217-L221 HydrophobicContact CG-CG 4.45Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.45Å
218L93.9Very high83.6Confident19 Ų1943.2 Ų43.210%0.09926%0.264CS..Hα-helixtrans-62.1-43.7175.4-69.7178.1000111.4K98 I102 L214 E215 T216 L220 D222K98-L218 HydrophobicContact CB-CB 4.35Å; K98-L218 HydrophobicContact CD-CB 4.15Å; I102-L218 HydrophobicContact CD1-CD2 3.79Å; L214-L218 HydrophobicContact CD2-CD1 3.59Å; L214-L218 HydrophobicContact CD2-CG 4.17Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.17Å; E215-L218 PolarHBondContact O-N 3.37Å; T216-L218 VanDerWaalsContact C-N 3.33Å; T216-L218 PolarHBondContact O-N 2.92Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 3.36Å; L218-D222 WeakPolarHBondContact O-CB 3.26Å; L218-D222 PolarHBondContact O-N 3.28Å
219D93.4Very high86.6Confident4 Ų438.7 Ų38.72%0.02123%0.233CC..Hα-helixtrans-58.8-40.6175.2-83-24.1000112.2K98 K211 E215 T216 Y223 Y238 L242K98-D219 WeakPolarHBondContact CE-OD1 3.26Å; K98-D219 IonicContact NZ-OD1 3.35Å; K98-D219 PolarHBondContact NZ-OD1 3.14Å; K98-D219 IonicContact NZ-OD2 3.24Å; K211-D219 IonicContact NZ-OD2 2.8Å; K211-D219 PolarHBondContact NZ-OD2 2.73Å; K211-D219 VanDerWaalsContact NZ-OD2 3.13Å; E215-D219 WeakPolarHBondContact O-CB 3.47Å; E215-D219 PolarHBondContact O-N 3.1Å; T216-D219 WeakPolarHBondContact O-CB 3.48Å; T216-D219 PolarHBondContact O-N 2.97Å; D219-Y223 VanDerWaalsContact O-CB 3.31Å; D219-Y223 WeakPolarHBondContact O-CB 3.39Å; D219-Y223 PolarHBondContact O-N 3.37Å; D219-Y223 VanDerWaalsContact O-N 3.09Å; D219-Y238 WeakPolarHBondContact CB-OH 3.48Å; D219-L242 HydrophobicContact CB-CD2 3.8Å; D219-L242 VanDerWaalsContact CG-CD2 3.47Å; D219-L242 WeakPolarHBondContact OD2-CD2 3.43Å
220L94.9Very high89.1Confident11 Ų1132.9 Ų32.96%0.05820%0.197CC..Hα-helixtrans-66.8-52.1179.1-70.2-179.2000112.5V125 V187 F191 T216 L217 L218 D222 Y223 S224 Y238V125-L220 HydrophobicContact CG1-CB 4.34Å; V187-L220 HydrophobicContact CB-CD2 4.07Å; V187-L220 HydrophobicContact CG1-CD2 3.25Å; V187-L220 HydrophobicContact CG1-CG 4.49Å; V187-L220 HydrophobicContact CG2-CD2 3.64Å; F191-L220 HydrophobicContact CE2-CD1 3.93Å; F191-L220 HydrophobicContact CE2-CD2 3.81Å; F191-L220 HydrophobicContact CE2-CG 4.36Å; F191-L220 HydrophobicContact CZ-CD1 3.94Å; F191-L220 HydrophobicContact CZ-CD2 3.69Å; F191-L220 HydrophobicContact CZ-CG 4.07Å; T216-L220 HydrophobicContact CG2-CD1 4.42Å; T216-L220 VanDerWaalsContact O-CG 3.27Å; T216-L220 WeakPolarHBondContact O-CG 3.24Å; T216-L220 PolarHBondContact O-N 3.11Å; L217-L220 PolarHBondContact O-N 2.93Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 3.36Å; L220-D222 VanDerWaalsContact C-N 3.34Å; L220-Y223 PolarHBondContact O-N 3.45Å; L220-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 PolarHBondContact O-N 2.86Å; L220-S224 PolarHBondContact O-OG 3.39Å; L220-Y238 HydrophobicContact CD2-CE1 4.23Å; L220-Y238 HydrophobicContact CD2-CE2 3.86Å
221L95.5Very high90.5Very high23 Ų2328.5 Ų28.512%0.1216%0.16CC..Hα-helixtrans-65.4-41.5-178.3-68.6179.7000111.3I102 F122 L217 S224 L225I102-L221 HydrophobicContact CD1-CB 3.78Å; I102-L221 HydrophobicContact CG1-CB 4.2Å; F122-L221 HydrophobicContact CD1-CD2 3.83Å; F122-L221 HydrophobicContact CE1-CD1 4.18Å; F122-L221 HydrophobicContact CE1-CD2 3.39Å; F122-L221 HydrophobicContact CE1-CG 4.43Å; F122-L221 HydrophobicContact CZ-CD2 4.26Å; L217-L221 HydrophobicContact CD1-CD1 4.12Å; L217-L221 HydrophobicContact CD1-CG 4.13Å; L217-L221 HydrophobicContact CG-CD1 4.11Å; L217-L221 HydrophobicContact CG-CG 4.45Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.45Å; L221-S224 PolarHBondContact O-N 3.45Å; L221-L225 HydrophobicContact CB-CD1 4.3Å; L221-L225 VanDerWaalsContact O-CB 3.24Å; L221-L225 WeakPolarHBondContact O-CB 3.42Å; L221-L225 WeakPolarHBondContact O-CG 3.15Å; L221-L225 PolarHBondContact O-N 3.25Å
222D95.2Very high91.3Very high1 Ų125.8 Ų25.81%0.00515%0.148CC..Hα-helixtrans-62.1-43.7177.6-175.236.7000112.2R101 I102 L218 L220 Y226R101-D222 IonicContact CZ-OD1 2.67Å; R101-D222 IonicContact CZ-OD2 3.57Å; R101-D222 IonicContact NE-OD1 3.27Å; R101-D222 PolarHBondContact NE-OD1 2.89Å; R101-D222 IonicContact NE-OD2 2.81Å; R101-D222 VanDerWaalsContact NH2-CG 3.33Å; R101-D222 IonicContact NH2-OD1 3.34Å; R101-D222 PolarHBondContact NH2-OD1 2.96Å; R101-D222 IonicContact NH2-OD2 3.85Å; R101-D222 PolarHBondContact NH2-OD2 2.91Å; I102-D222 HydrophobicContact CD1-CB 4.18Å; I102-D222 HydrophobicContact CG1-CB 4Å; L218-D222 WeakPolarHBondContact O-CB 3.26Å; L218-D222 PolarHBondContact O-N 3.28Å; L220-D222 VanDerWaalsContact C-N 3.34Å; D222-Y226 PolarHBondContact O-N 3.16Å
223Y95.6Very high91.7Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-62.4-52.3171.3168.6-105.3000111.5R183 V187 D219 L220 L225 Y226 V236 Y238 W241R183-Y223 HydrophobicContact CB-CE1 3.71Å; R183-Y223 HydrophobicContact CG-CE1 4.23Å; R183-Y223 PolarHBondContact NE-O 3.39Å; R183-Y223 PolarHBondContact NH2-O 3.05Å; R183-Y223 WeakPolarHBondContact O-CE1 3.47Å; V187-Y223 HydrophobicContact CG2-CD1 3.69Å; V187-Y223 HydrophobicContact CG2-CE1 3.72Å; D219-Y223 VanDerWaalsContact O-CB 3.31Å; D219-Y223 WeakPolarHBondContact O-CB 3.39Å; D219-Y223 PolarHBondContact O-N 3.37Å; D219-Y223 VanDerWaalsContact O-N 3.09Å; L220-Y223 PolarHBondContact O-N 3.45Å; Y223-L225 PolarHBondContact O-N 3.03Å; Y223-Y226 PolarHBondContact O-N 2.86Å; Y223-V236 VanDerWaalsContact CE2-O 3.29Å; Y223-V236 WeakPolarHBondContact CE2-O 2.91Å; Y223-V236 PolarHBondContact OH-O 3.22Å; Y223-Y238 AromaticContact CD1-CD2 3.66Å; Y223-Y238 HydrophobicContact CD1-CD2 3.66Å; Y223-Y238 HydrophobicContact CD1-CE2 4.43Å; Y223-Y238 HydrophobicContact CD1-CG 4.45Å; Y223-Y238 HydrophobicContact CD2-CD2 4.03Å; Y223-Y238 HydrophobicContact CE1-CD2 4.17Å; Y223-Y238 AromaticContact CG-CD2 3.57Å; Y223-Y238 HydrophobicContact CG-CD2 3.57Å; Y223-Y238 HydrophobicContact CG-CE2 4.26Å; Y223-W241 HydrophobicContact CD2-CB 3.82Å; Y223-W241 AromaticContact CD2-CD2 3.99Å; Y223-W241 HydrophobicContact CD2-CD2 3.99Å; Y223-W241 HydrophobicContact CD2-CE3 4.43Å; Y223-W241 AromaticContact CD2-CG 3.72Å; Y223-W241 HydrophobicContact CD2-CG 3.72Å; Y223-W241 HydrophobicContact CE2-CB 4.3Å; Y223-W241 HydrophobicContact CG-CG 4.43Å
224S95.6Very high92Very high2 Ų218.5 Ų18.51%0.01410%0.098CC..Hα-helixtrans-72.1-29.8-169.4-62.10000113.6V125 L220 L221V125-S224 VanDerWaalsContact CG2-CB 3.41Å; V125-S224 WeakPolarHBondContact CG2-OG 3.26Å; L220-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 PolarHBondContact O-N 2.86Å; L220-S224 PolarHBondContact O-OG 3.39Å; L221-S224 PolarHBondContact O-N 3.45Å
225L95.9Very high92.4Very high0 Ų014.1 Ų14.10%08%0.075CC..THydrogen-bonded Turntrans-92.94.9178.3-66160.8000113.1I102 S105 I106 I109 V121 F122 L221 Y223 P227I102-L225 HydrophobicContact CG2-CD1 3.97Å; S105-L225 VanDerWaalsContact CB-O 3.26Å; S105-L225 WeakPolarHBondContact CB-O 3.39Å; I106-L225 HydrophobicContact CD1-CD1 3.92Å; I106-L225 HydrophobicContact CG1-CD1 3.73Å; I106-L225 HydrophobicContact CG1-CD2 4.27Å; I109-L225 HydrophobicContact CD1-CB 4.35Å; I109-L225 HydrophobicContact CD1-CD2 4.08Å; I109-L225 WeakPolarHBondContact CD1-O 3.33Å; V121-L225 HydrophobicContact CB-CD2 4.1Å; V121-L225 HydrophobicContact CG1-CD2 3.74Å; V121-L225 HydrophobicContact CG1-CG 3.97Å; V121-L225 HydrophobicContact CG2-CD2 4.28Å; F122-L225 HydrophobicContact CZ-CD1 4.31Å; L221-L225 HydrophobicContact CB-CD1 4.3Å; L221-L225 VanDerWaalsContact O-CB 3.24Å; L221-L225 WeakPolarHBondContact O-CB 3.42Å; L221-L225 WeakPolarHBondContact O-CG 3.15Å; L221-L225 PolarHBondContact O-N 3.25Å; Y223-L225 PolarHBondContact O-N 3.03Å; L225-P227 VanDerWaalsContact O-CD 3.26Å; L225-P227 WeakPolarHBondContact O-CD 3.43Å; L225-P227 VanDerWaalsContact O-N 3.09Å
226Y95.2Very high92.7Very high0 Ų011.7 Ų11.70%06%0.064CC..  trans-64.5111.8-178.7-172.3-114000111.5D222 Y223 H228 A229 W241 S352 E355 F400D222-Y226 PolarHBondContact O-N 3.16Å; Y223-Y226 PolarHBondContact O-N 2.86Å; Y226-H228 HydrophobicContact CD1-CB 4.25Å; Y226-H228 HydrophobicContact CE1-CB 3.7Å; Y226-H228 AromaticContact CE1-CG 3.88Å; Y226-H228 AromaticContact CE1-ND1 3.52Å; Y226-H228 AromaticContact CE2-ND1 3.53Å; Y226-H228 AromaticContact CZ-CE1 3.82Å; Y226-H228 AromaticContact CZ-CG 3.85Å; Y226-H228 AromaticContact CZ-ND1 3.13Å; Y226-H228 PolarHBondContact O-N 3.08Å; Y226-H228 PolarHBondContact OH-ND1 2.96Å; Y226-A229 HydrophobicContact CD1-CB 4.22Å; Y226-A229 PolarHBondContact O-N 3.31Å; Y226-W241 HydrophobicContact CD1-CH2 4.15Å; Y226-W241 AromaticContact CD1-CZ3 3.83Å; Y226-W241 HydrophobicContact CD1-CZ3 3.83Å; Y226-W241 AromaticContact CD2-CH2 3.55Å; Y226-W241 HydrophobicContact CD2-CH2 3.55Å; Y226-W241 HydrophobicContact CD2-CZ3 4.07Å; Y226-W241 HydrophobicContact CE1-CZ3 4.18Å; Y226-W241 HydrophobicContact CE2-CH2 4.07Å; Y226-W241 HydrophobicContact CE2-CZ3 4.41Å; Y226-W241 AromaticContact CG-CH2 3.6Å; Y226-W241 HydrophobicContact CG-CH2 3.6Å; Y226-W241 AromaticContact CG-CZ3 3.76Å; Y226-W241 HydrophobicContact CG-CZ3 3.76Å; Y226-S352 WeakPolarHBondContact OH-CB 3.49Å; Y226-E355 WeakPolarHBondContact CE2-OE2 3.38Å; Y226-E355 PolarHBondContact OH-OE2 2.95Å; Y226-F400 HydrophobicContact CD1-CE2 4.27Å; Y226-F400 HydrophobicContact CD1-CZ 4.35Å; Y226-F400 AromaticContact CE1-CE2 3.72Å; Y226-F400 HydrophobicContact CE1-CE2 3.72Å; Y226-F400 AromaticContact CE1-CZ 3.51Å; Y226-F400 HydrophobicContact CE1-CZ 3.51Å; Y226-F400 AromaticContact CZ-CZ 3.65Å
227P94.2Very high92.9Very high6 Ų610 Ų104%0.0395%0.054CC..G310 helixtrans-71.7-31.6-159.226.9-35.4000113.4L78 S105 L108 I109 L225 A229 L230L78-P227 HydrophobicContact CD2-CB 3.75Å; L78-P227 HydrophobicContact CD2-CG 4.15Å; S105-P227 WeakPolarHBondContact OG-CD 3.19Å; L108-P227 HydrophobicContact CD2-CB 4.01Å; L108-P227 HydrophobicContact CD2-CG 4.06Å; I109-P227 HydrophobicContact CG1-CB 4.36Å; L225-P227 VanDerWaalsContact O-CD 3.26Å; L225-P227 WeakPolarHBondContact O-CD 3.43Å; L225-P227 VanDerWaalsContact O-N 3.09Å; P227-A229 PolarHBondContact O-N 3.37Å; P227-A229 VanDerWaalsContact O-N 3.14Å; P227-L230 PolarHBondContact O-N 3.2Å
228H93.1Very high93.1Very high3 Ų35.7 Ų5.71%0.0143%0.03CC..G310 helixtrans-61.7-25.8-179.4-52.276.4000113.1L78 H81 S82 Y226 P348 E355L78-H228 PolarHBondContact O-NE2 3.34Å; H81-H228 AromaticContact ND1-CE1 3.51Å; S82-H228 PolarHBondContact OG-CE1 2.94Å; S82-H228 PolarHBondContact OG-NE2 3.15Å; Y226-H228 HydrophobicContact CD1-CB 4.25Å; Y226-H228 HydrophobicContact CE1-CB 3.7Å; Y226-H228 AromaticContact CE1-CG 3.88Å; Y226-H228 AromaticContact CE1-ND1 3.52Å; Y226-H228 AromaticContact CE2-ND1 3.53Å; Y226-H228 AromaticContact CZ-CE1 3.82Å; Y226-H228 AromaticContact CZ-CG 3.85Å; Y226-H228 AromaticContact CZ-ND1 3.13Å; Y226-H228 PolarHBondContact O-N 3.08Å; Y226-H228 PolarHBondContact OH-ND1 2.96Å; H228-P348 HydrophobicContact CB-CB 4.29Å; H228-P348 WeakPolarHBondContact O-CB 3.32Å; H228-P348 VanDerWaalsContact O-CG 3.22Å; H228-P348 WeakPolarHBondContact O-CG 3.29Å; H228-E355 IonicContact CE1-OE2 3Å
229A91.7Very high92.9Very high0 Ų06.7 Ų6.70%04%0.039CC..G310 helixtrans-1139.5-174.900000113.2R183 Y226 P227 M401R183-A229 PolarHBondContact NH1-O 2.95Å; R183-A229 VanDerWaalsContact NH1-O 3.11Å; Y226-A229 HydrophobicContact CD1-CB 4.22Å; Y226-A229 PolarHBondContact O-N 3.31Å; P227-A229 PolarHBondContact O-N 3.37Å; P227-A229 VanDerWaalsContact O-N 3.14Å; A229-M401 HydrophobicContact CB-CE 3.71Å; A229-M401 HydrophobicContact CB-SD 4.46Å
230L92.3Very high92.8Very high1 Ų19.6 Ų9.61%0.0056%0.055CC..THydrogen-bonded Turntrans-93.7-47.9-175.1-174.567.6000112.7I109 I117 V121 I180 P227I109-L230 HydrophobicContact CD1-CD2 3.39Å; I109-L230 HydrophobicContact CG1-CD2 3.81Å; I109-L230 HydrophobicContact CG2-CD2 4.12Å; I117-L230 HydrophobicContact CG2-CD2 3.93Å; I117-L230 HydrophobicContact CG2-CG 4.5Å; V121-L230 HydrophobicContact CG2-CD1 3.9Å; I180-L230 HydrophobicContact CD1-CD1 3.93Å; I180-L230 HydrophobicContact CG1-CD1 3.5Å; P227-L230 PolarHBondContact O-N 3.2Å
231L84.5Confident92.7Very high12 Ų129.1 Ų9.16%0.0635%0.052CC..SBendtrans-103.967.5-171.3-57175.4000111W71 F74 V113 A176W71-L231 VanDerWaalsContact CD1-O 3.27Å; W71-L231 PolarHBondContact NE1-O 2.96Å; F74-L231 HydrophobicContact CD2-CD1 4.09Å; F74-L231 HydrophobicContact CE2-CD1 4Å; V113-L231 HydrophobicContact CG1-CD1 3.57Å; V113-L231 HydrophobicContact CG1-CD2 3.87Å; V113-L231 HydrophobicContact CG1-CG 4.38Å; V113-L231 HydrophobicContact CG2-CD1 4.34Å; V113-L231 HydrophobicContact CG2-CD2 4.24Å; A176-L231 HydrophobicContact CB-CD2 3.74Å
232L85.7Confident92.6Very high21 Ų219.4 Ų9.411%0.115%0.054CC..SBendtrans83.919.4-177-54.9163.3000117.2I172 A175 Y179 F344I172-L232 HydrophobicContact CG1-CD1 4.31Å; A175-L232 HydrophobicContact CB-CD2 3.34Å; A175-L232 HydrophobicContact CB-CG 4.32Å; Y179-L232 HydrophobicContact CE2-CD2 4.44Å; L232-F344 HydrophobicContact CB-CD1 4.29Å; L232-F344 HydrophobicContact CB-CG 4.37Å; L232-F344 HydrophobicContact CD1-CD1 4.27Å; L232-F344 HydrophobicContact CD1-CE1 3.9Å; L232-F344 HydrophobicContact CD1-CE2 4.48Å; L232-F344 HydrophobicContact CD1-CZ 4.02Å
233G86.3Confident92.2Very high1 Ų113.4 Ų13.41%0.018%0.075CC..PPolyproline II helixtrans-83.5165.517200000113.5Y179Y179-G233 WeakPolarHBondContact CE1-O 3.34Å
234P92.2Very high92Very high2 Ų213.7 Ų13.71%0.0138%0.076CC..PPolyproline II helixtrans-67.4144.217827.9-33.3000110.8V236 Y345 M401 P402P234-V236 PolarHBondContact O-N 2.82Å; P234-Y345 HydrophobicContact CB-CD1 4.02Å; P234-Y345 HydrophobicContact CB-CD2 4.14Å; P234-Y345 HydrophobicContact CB-CE1 4.35Å; P234-Y345 HydrophobicContact CB-CE2 4.46Å; P234-Y345 HydrophobicContact CB-CG 3.92Å; P234-Y345 HydrophobicContact CG-CD1 4.31Å; P234-Y345 HydrophobicContact CG-CG 4.23Å; P234-M401 HydrophobicContact CG-CE 3.6Å; P234-M401 HydrophobicContact CG-CG 3.71Å; P234-M401 HydrophobicContact CG-SD 3.68Å; P234-P402 HydrophobicContact CB-CG 4.44Å
235L94.8Very high91.7Very high4 Ų414.1 Ų14.12%0.0218%0.077CC..PPolyproline II helixtrans-69.2126-179.1-178.165.1000111.7L182 R183 P402 G424 F428L182-L235 HydrophobicContact CB-CD1 4.13Å; L182-L235 HydrophobicContact CB-CD2 4.31Å; L182-L235 HydrophobicContact CD1-CD2 4.24Å; R183-L235 HydrophobicContact CG-CD1 3.93Å; L235-P402 WeakPolarHBondContact O-CG 3.27Å; L235-G424 WeakPolarHBondContact O-CA 2.86Å; L235-F428 HydrophobicContact CD2-CB 3.58Å; L235-F428 HydrophobicContact CD2-CD2 3.63Å; L235-F428 HydrophobicContact CD2-CG 3.76Å
236V94.7Very high91.3Very high2 Ų217.8 Ų17.81%0.01210%0.095CC..  trans-105.4131.1171.9-178.40000108.5Y223 P234 W241 F400 M401Y223-V236 VanDerWaalsContact CE2-O 3.29Å; Y223-V236 WeakPolarHBondContact CE2-O 2.91Å; Y223-V236 PolarHBondContact OH-O 3.22Å; P234-V236 PolarHBondContact O-N 2.82Å; V236-W241 HydrophobicContact CG1-CB 4.44Å; V236-F400 HydrophobicContact CG1-CD2 4.02Å; V236-F400 HydrophobicContact CG2-CD2 4Å; V236-F400 HydrophobicContact CG2-CE2 4.4Å; V236-M401 HydrophobicContact CG2-SD 3.28Å; V236-M401 WeakPolarHBondContact CG2-SD 3.2Å
237L94.5Very high90.8Very high3 Ų321.5 Ų21.52%0.01611%0.114CC..  trans-71.2136.7174.6-50.8-177.1000110.6S239 N240 W241 N427 F428 S431 Y432L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.48Å; L237-N240 HydrophobicContact CB-CB 4.34Å; L237-N240 WeakPolarHBondContact O-CB 3.44Å; L237-N240 PolarHBondContact O-N 3.47Å; L237-W241 PolarHBondContact O-N 3.09Å; L237-N427 HydrophobicContact CD1-CB 4.23Å; L237-F428 VanDerWaalsContact CD2-CA 3.48Å; L237-F428 HydrophobicContact CD2-CB 3.72Å; L237-F428 HydrophobicContact CD2-CD2 3.98Å; L237-F428 HydrophobicContact CD2-CG 4.31Å; L237-S431 WeakPolarHBondContact CD1-OG 3.16Å; L237-Y432 HydrophobicContact CD2-CE2 3.82Å
238Y95Very high90.3Very high4 Ų421.6 Ų21.62%0.01612%0.115CC..Hα-helixtrans-54.5-40.2177179.8-112.5000112.9S186 V187 F191 D219 L220 Y223 N240 W241 L242S186-Y238 PolarHBondContact OG-N 3.15Å; V187-Y238 HydrophobicContact CG2-CD1 4.26Å; V187-Y238 HydrophobicContact CG2-CD2 3.75Å; V187-Y238 HydrophobicContact CG2-CE2 4.22Å; V187-Y238 HydrophobicContact CG2-CG 3.76Å; F191-Y238 HydrophobicContact CE1-CE1 4.37Å; F191-Y238 HydrophobicContact CZ-CE1 4.42Å; D219-Y238 WeakPolarHBondContact CB-OH 3.48Å; L220-Y238 HydrophobicContact CD2-CE1 4.23Å; L220-Y238 HydrophobicContact CD2-CE2 3.86Å; Y223-Y238 AromaticContact CD1-CD2 3.66Å; Y223-Y238 HydrophobicContact CD1-CD2 3.66Å; Y223-Y238 HydrophobicContact CD1-CE2 4.43Å; Y223-Y238 HydrophobicContact CD1-CG 4.45Å; Y223-Y238 HydrophobicContact CD2-CD2 4.03Å; Y223-Y238 HydrophobicContact CE1-CD2 4.17Å; Y223-Y238 AromaticContact CG-CD2 3.57Å; Y223-Y238 HydrophobicContact CG-CD2 3.57Å; Y223-Y238 HydrophobicContact CG-CE2 4.26Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.07Å; Y238-W241 WeakPolarHBondContact O-CB 3.41Å; Y238-W241 PolarHBondContact O-N 2.98Å; Y238-L242 HydrophobicContact CD1-CD1 4.08Å; Y238-L242 HydrophobicContact CD1-CG 4.48Å; Y238-L242 HydrophobicContact CE1-CD1 3.44Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.44Å; Y238-L242 HydrophobicContact CE1-CG 4.04Å; Y238-L242 HydrophobicContact CE2-CD1 4.36Å; Y238-L242 HydrophobicContact CE2-CD2 4.18Å; Y238-L242 HydrophobicContact CE2-CG 4.1Å; Y238-L242 PolarHBondContact O-N 3.39Å
239S91.6Very high89.8Confident40 Ų4023.3 Ų23.328%0.2812%0.124SC..Hα-helixtrans-61.3-36.8175.363.90000113.3L237 N243L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.48Å; S239-N243 WeakPolarHBondContact O-CB 3.44Å; S239-N243 PolarHBondContact O-N 3.23Å; S239-N243 VanDerWaalsContact O-N 3.09Å; S239-N243 PolarHBondContact O-ND2 3.49Å; S239-N243 PolarHBondContact O-OD1 3.46Å
240N91Very high89.3Confident66 Ų6625.6 Ų25.635%0.35314%0.14SC..Hα-helixtrans-73.4-36.4179-66.7-5.3000110.9L237 Y238 F244L237-N240 HydrophobicContact CB-CB 4.34Å; L237-N240 WeakPolarHBondContact O-CB 3.44Å; L237-N240 PolarHBondContact O-N 3.47Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.07Å; N240-F244 VanDerWaalsContact O-CB 3.27Å; N240-F244 WeakPolarHBondContact O-CB 3.29Å; N240-F244 PolarHBondContact O-N 3.1Å
241W92.5Very high88.6Confident0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-58.5-52172.3175.1-91000111.5Y223 Y226 V236 L237 Y238 F244 W245 F400Y223-W241 HydrophobicContact CD2-CB 3.82Å; Y223-W241 AromaticContact CD2-CD2 3.99Å; Y223-W241 HydrophobicContact CD2-CD2 3.99Å; Y223-W241 HydrophobicContact CD2-CE3 4.43Å; Y223-W241 AromaticContact CD2-CG 3.72Å; Y223-W241 HydrophobicContact CD2-CG 3.72Å; Y223-W241 HydrophobicContact CE2-CB 4.3Å; Y223-W241 HydrophobicContact CG-CG 4.43Å; Y226-W241 HydrophobicContact CD1-CH2 4.15Å; Y226-W241 AromaticContact CD1-CZ3 3.83Å; Y226-W241 HydrophobicContact CD1-CZ3 3.83Å; Y226-W241 AromaticContact CD2-CH2 3.55Å; Y226-W241 HydrophobicContact CD2-CH2 3.55Å; Y226-W241 HydrophobicContact CD2-CZ3 4.07Å; Y226-W241 HydrophobicContact CE1-CZ3 4.18Å; Y226-W241 HydrophobicContact CE2-CH2 4.07Å; Y226-W241 HydrophobicContact CE2-CZ3 4.41Å; Y226-W241 AromaticContact CG-CH2 3.6Å; Y226-W241 HydrophobicContact CG-CH2 3.6Å; Y226-W241 AromaticContact CG-CZ3 3.76Å; Y226-W241 HydrophobicContact CG-CZ3 3.76Å; V236-W241 HydrophobicContact CG1-CB 4.44Å; L237-W241 PolarHBondContact O-N 3.09Å; Y238-W241 WeakPolarHBondContact O-CB 3.41Å; Y238-W241 PolarHBondContact O-N 2.98Å; W241-F244 WeakPolarHBondContact O-CB 3.48Å; W241-F244 PolarHBondContact O-N 3.31Å; W241-W245 AromaticContact CD1-CD1 3.92Å; W241-W245 AromaticContact CD2-CD1 3.85Å; W241-W245 AromaticContact CD2-NE1 3.54Å; W241-W245 AromaticContact CE2-CD1 3.58Å; W241-W245 AromaticContact CE2-NE1 3.24Å; W241-W245 AromaticContact CE3-NE1 3.82Å; W241-W245 HydrophobicContact CH2-CZ2 4.38Å; W241-W245 AromaticContact CH2-NE1 3.59Å; W241-W245 AromaticContact CZ2-NE1 3.29Å; W241-W245 VanDerWaalsContact CZ2-NE1 3.29Å; W241-W245 AromaticContact CZ3-NE1 3.85Å; W241-W245 AromaticContact NE1-CD1 3.6Å; W241-W245 AromaticContact NE1-NE1 3.77Å; W241-W245 PolarHBondContact O-N 3.43Å; W241-F400 AromaticContact CE3-CD2 3.98Å; W241-F400 HydrophobicContact CE3-CD2 3.98Å; W241-F400 AromaticContact CE3-CE2 3.89Å; W241-F400 HydrophobicContact CE3-CE2 3.89Å; W241-F400 HydrophobicContact CE3-CG 4.43Å; W241-F400 HydrophobicContact CE3-CZ 4.28Å; W241-F400 HydrophobicContact CZ3-CD2 4.15Å; W241-F400 HydrophobicContact CZ3-CE1 4.25Å; W241-F400 AromaticContact CZ3-CE2 3.59Å; W241-F400 HydrophobicContact CZ3-CE2 3.59Å; W241-F400 AromaticContact CZ3-CZ 3.64Å; W241-F400 HydrophobicContact CZ3-CZ 3.64Å
242L92.1Very high88.4Confident30 Ų3029 Ų2916%0.15716%0.157CC..Hα-helixtrans-59.7-50.7178.1-71.7-177.6000112.3D219 Y238 F244 W245 E246D219-L242 HydrophobicContact CB-CD2 3.8Å; D219-L242 VanDerWaalsContact CG-CD2 3.47Å; D219-L242 WeakPolarHBondContact OD2-CD2 3.43Å; Y238-L242 HydrophobicContact CD1-CD1 4.08Å; Y238-L242 HydrophobicContact CD1-CG 4.48Å; Y238-L242 HydrophobicContact CE1-CD1 3.44Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.44Å; Y238-L242 HydrophobicContact CE1-CG 4.04Å; Y238-L242 HydrophobicContact CE2-CD1 4.36Å; Y238-L242 HydrophobicContact CE2-CD2 4.18Å; Y238-L242 HydrophobicContact CE2-CG 4.1Å; Y238-L242 PolarHBondContact O-N 3.39Å; L242-F244 PolarHBondContact O-N 3.16Å; L242-W245 PolarHBondContact O-N 3.4Å; L242-E246 WeakPolarHBondContact O-CB 3.37Å; L242-E246 WeakPolarHBondContact O-CG 3.46Å; L242-E246 PolarHBondContact O-N 3.36Å
243N88.6Confident88Confident84 Ų8432 Ų3245%0.44918%0.18SC..Hα-helixtrans-58.9-37.5-180-69.8-15.5000111.8S239 N247S239-N243 WeakPolarHBondContact O-CB 3.44Å; S239-N243 PolarHBondContact O-N 3.23Å; S239-N243 VanDerWaalsContact O-N 3.09Å; S239-N243 PolarHBondContact O-ND2 3.49Å; S239-N243 PolarHBondContact O-OD1 3.46Å; N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.36Å; N243-N247 PolarHBondContact O-N 2.92Å; N243-N247 PolarHBondContact O-ND2 3.26Å
244F90.7Very high87.5Confident6 Ų637 Ų373%0.02621%0.207CC..Hα-helixtrans-62.1-51.9178174.8-92.1000111.6N240 W241 L242 N247 L248 C356 Q397 F400N240-F244 VanDerWaalsContact O-CB 3.27Å; N240-F244 WeakPolarHBondContact O-CB 3.29Å; N240-F244 PolarHBondContact O-N 3.1Å; W241-F244 WeakPolarHBondContact O-CB 3.48Å; W241-F244 PolarHBondContact O-N 3.31Å; L242-F244 PolarHBondContact O-N 3.16Å; F244-N247 PolarHBondContact O-N 3.49Å; F244-L248 HydrophobicContact CE1-CD2 4.27Å; F244-L248 WeakPolarHBondContact O-CB 3.15Å; F244-L248 PolarHBondContact O-N 3.43Å; F244-C356 HydrophobicContact CZ-CB 4.34Å; F244-C356 WeakPolarHBondContact CZ-SG 3.34Å; F244-Q397 HydrophobicContact CD2-CG 4.48Å; F244-Q397 WeakPolarHBondContact CE2-O 3.46Å; F244-F400 HydrophobicContact CB-CB 3.98Å; F244-F400 HydrophobicContact CD1-CB 4.34Å; F244-F400 AromaticContact CD1-CD1 3.66Å; F244-F400 HydrophobicContact CD1-CD1 3.66Å; F244-F400 HydrophobicContact CD1-CE1 4.46Å; F244-F400 HydrophobicContact CD1-CG 4.38Å; F244-F400 HydrophobicContact CD2-CB 3.96Å; F244-F400 HydrophobicContact CD2-CD1 4.22Å; F244-F400 AromaticContact CE1-CD1 3.66Å; F244-F400 HydrophobicContact CE1-CD1 3.66Å; F244-F400 HydrophobicContact CE1-CE1 4.2Å; F244-F400 HydrophobicContact CE2-CD1 4.2Å; F244-F400 HydrophobicContact CG-CB 3.82Å; F244-F400 AromaticContact CG-CD1 3.96Å; F244-F400 HydrophobicContact CG-CD1 3.96Å; F244-F400 HydrophobicContact CG-CG 4.34Å; F244-F400 AromaticContact CZ-CD1 3.95Å; F244-F400 HydrophobicContact CZ-CD1 3.95Å
245W89.5Confident86.5Confident11 Ų1143.7 Ų43.74%0.04224%0.237CC..Hα-helixtrans-67.3-37-179-70.3110.1000112.3F89 F97 R101 W241 L242 L248 D249 I359 F400F89-W245 HydrophobicContact CD2-CZ3 4.29Å; F89-W245 HydrophobicContact CE2-CE3 4.41Å; F89-W245 HydrophobicContact CE2-CZ3 4.05Å; F97-W245 HydrophobicContact CE1-CE3 4.41Å; F97-W245 HydrophobicContact CE1-CZ3 4.08Å; F97-W245 HydrophobicContact CZ-CH2 4.34Å; F97-W245 HydrophobicContact CZ-CZ3 4.22Å; R101-W245 VanDerWaalsContact NH2-CE2 3.28Å; W241-W245 AromaticContact CD1-CD1 3.92Å; W241-W245 AromaticContact CD2-CD1 3.85Å; W241-W245 AromaticContact CD2-NE1 3.54Å; W241-W245 AromaticContact CE2-CD1 3.58Å; W241-W245 AromaticContact CE2-NE1 3.24Å; W241-W245 AromaticContact CE3-NE1 3.82Å; W241-W245 HydrophobicContact CH2-CZ2 4.38Å; W241-W245 AromaticContact CH2-NE1 3.59Å; W241-W245 AromaticContact CZ2-NE1 3.29Å; W241-W245 VanDerWaalsContact CZ2-NE1 3.29Å; W241-W245 AromaticContact CZ3-NE1 3.85Å; W241-W245 AromaticContact NE1-CD1 3.6Å; W241-W245 AromaticContact NE1-NE1 3.77Å; W241-W245 PolarHBondContact O-N 3.43Å; L242-W245 PolarHBondContact O-N 3.4Å; W245-L248 HydrophobicContact CE3-CD2 3.87Å; W245-L248 HydrophobicContact CH2-CD2 4.47Å; W245-L248 HydrophobicContact CZ3-CD2 3.61Å; W245-L248 PolarHBondContact O-N 2.92Å; W245-D249 WeakPolarHBondContact O-CB 3.42Å; W245-D249 PolarHBondContact O-N 2.83Å; W245-I359 HydrophobicContact CH2-CD1 4.03Å; W245-I359 HydrophobicContact CZ3-CD1 4.14Å; W245-F400 HydrophobicContact CZ2-CE1 4.4Å
246E86.7Confident85.5Confident77 Ų7748.2 Ų48.236%0.3626%0.261SS..Hα-helixtrans-64-42.6174.2-72.3175.6-175.500112.1K211 L242 S250K211-E246 WeakPolarHBondContact CE-OE1 3.14Å; K211-E246 IonicContact NZ-OE1 3.56Å; K211-E246 PolarHBondContact NZ-OE1 3.04Å; L242-E246 WeakPolarHBondContact O-CB 3.37Å; L242-E246 WeakPolarHBondContact O-CG 3.46Å; L242-E246 PolarHBondContact O-N 3.36Å; E246-S250 WeakPolarHBondContact O-CB 3.22Å; E246-S250 PolarHBondContact O-N 3.05Å
247N84.5Confident84.5Confident78 Ų7850 Ų5042%0.41727%0.273SS..Hα-helixtrans-65.1-43.8175.6-73.3-15000111.6N243 F244 D249 S250 L251N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.36Å; N243-N247 PolarHBondContact O-N 2.92Å; N243-N247 PolarHBondContact O-ND2 3.26Å; F244-N247 PolarHBondContact O-N 3.49Å; N247-D249 PolarHBondContact O-N 3.49Å; N247-S250 PolarHBondContact O-N 3Å; N247-S250 PolarHBondContact O-OG 3.01Å; N247-L251 WeakPolarHBondContact O-CG 3.42Å; N247-L251 PolarHBondContact O-N 3.44Å
248L85Confident83.8Confident9 Ų950.5 Ų50.55%0.04728%0.277CS..Hα-helixtrans-61.3-45.9179.2-171.768.4000111.5F89 F244 W245 S250 L251 H252 I359F89-L248 HydrophobicContact CE2-CD2 4.44Å; F89-L248 HydrophobicContact CZ-CD2 4.28Å; F244-L248 HydrophobicContact CE1-CD2 4.27Å; F244-L248 WeakPolarHBondContact O-CB 3.15Å; F244-L248 PolarHBondContact O-N 3.43Å; W245-L248 HydrophobicContact CE3-CD2 3.87Å; W245-L248 HydrophobicContact CH2-CD2 4.47Å; W245-L248 HydrophobicContact CZ3-CD2 3.61Å; W245-L248 PolarHBondContact O-N 2.92Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.36Å; L248-L251 PolarHBondContact O-N 3.47Å; L248-H252 PolarHBondContact O-N 2.96Å; L248-H252 VanDerWaalsContact O-N 3.11Å; L248-I359 HydrophobicContact CD2-CG2 4.21Å
249D82.1Confident83.4Confident38 Ų3852.6 Ų52.620%0.20329%0.292CS..Hα-helixtrans-58.8-43.5174.9-71.8-21.2000111.3K94 W245 N247 L251 H252 S253K94-D249 VanDerWaalsContact CD-OD2 3.27Å; K94-D249 WeakPolarHBondContact CD-OD2 3.27Å; K94-D249 WeakPolarHBondContact CE-OD2 3.41Å; K94-D249 IonicContact NZ-OD2 2.79Å; K94-D249 PolarHBondContact NZ-OD2 3.48Å; W245-D249 WeakPolarHBondContact O-CB 3.42Å; W245-D249 PolarHBondContact O-N 2.83Å; N247-D249 PolarHBondContact O-N 3.49Å; D249-L251 VanDerWaalsContact C-N 3.35Å; D249-L251 PolarHBondContact O-N 3.35Å; D249-H252 PolarHBondContact O-N 3.29Å; D249-S253 WeakPolarHBondContact O-CB 3.49Å; D249-S253 PolarHBondContact O-N 2.97Å; D249-S253 PolarHBondContact O-OG 3.47Å
250S80Confident83.3Confident48 Ų4855 Ų5534%0.33630%0.298SS..Hα-helixtrans-62.1-41.3179.579.70000112.2E246 N247 L248 S253 N254E246-S250 WeakPolarHBondContact O-CB 3.22Å; E246-S250 PolarHBondContact O-N 3.05Å; N247-S250 PolarHBondContact O-N 3Å; N247-S250 PolarHBondContact O-OG 3.01Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.36Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-N 3.35Å; S250-S253 PolarHBondContact O-OG 3.13Å; S250-N254 WeakPolarHBondContact O-CB 3.12Å; S250-N254 PolarHBondContact O-N 3.25Å; S250-N254 VanDerWaalsContact O-N 3.11Å; S250-N254 PolarHBondContact O-ND2 3.43Å; S250-N254 VanDerWaalsContact O-ND2 3.07Å
251L78.8Confident83.2Confident70 Ų7059 Ų5937%0.36631%0.312SS..Hα-helixtrans-63.8-45177.5-71.1171.2000111.3N247 L248 D249 N254 H255 L256N247-L251 WeakPolarHBondContact O-CG 3.42Å; N247-L251 PolarHBondContact O-N 3.44Å; L248-L251 PolarHBondContact O-N 3.47Å; D249-L251 VanDerWaalsContact C-N 3.35Å; D249-L251 PolarHBondContact O-N 3.35Å; L251-N254 PolarHBondContact O-N 3.2Å; L251-H255 PolarHBondContact O-N 3.09Å; L251-L256 HydrophobicContact CD2-CB 4.19Å; L251-L256 HydrophobicContact CD2-CD1 4.15Å; L251-L256 WeakPolarHBondContact O-CB 3.43Å; L251-L256 PolarHBondContact O-N 2.96Å
252H80.6Confident83Confident15 Ų1561.2 Ų61.27%0.06933%0.326CS..Hα-helixtrans-67.6-39.1179-68173.7000112.4F89 L248 D249 N254 H255 N360 H363F89-H252 AromaticContact CE1-CE1 3.62Å; F89-H252 AromaticContact CE1-ND1 3.42Å; F89-H252 WeakPolarHBondContact CE1-ND1 3.44Å; F89-H252 AromaticContact CZ-CE1 3.95Å; F89-H252 AromaticContact CZ-ND1 3.66Å; L248-H252 PolarHBondContact O-N 2.96Å; L248-H252 VanDerWaalsContact O-N 3.11Å; D249-H252 PolarHBondContact O-N 3.29Å; H252-N254 VanDerWaalsContact C-N 3.26Å; H252-N254 PolarHBondContact O-N 3.25Å; H252-H255 PolarHBondContact O-N 3.26Å; H252-H255 VanDerWaalsContact O-N 3.08Å; H252-N360 PolarHBondContact NE2-OD1 3.16Å; H252-H363 AromaticContact CD2-ND1 3.75Å; H252-H363 AromaticContact CG-CE1 3.82Å; H252-H363 AromaticContact CG-ND1 3.85Å
253S77.3Confident82.9Confident84 Ų8460.1 Ų60.159%0.58732%0.32SS*.Hα-helixtrans-62.9-32.6175.972.40000113.1D249 S250 H255D249-S253 WeakPolarHBondContact O-CB 3.49Å; D249-S253 PolarHBondContact O-N 2.97Å; D249-S253 PolarHBondContact O-OG 3.47Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-N 3.35Å; S250-S253 PolarHBondContact O-OG 3.13Å; S253-H255 PolarHBondContact O-N 2.88Å
254N75.1Confident83.1Confident106 Ų10660.8 Ų60.857%0.56732%0.323SS*.THydrogen-bonded Turntrans-8610176.7-70-37.4000113.2S250 L251 H252 L256S250-N254 WeakPolarHBondContact O-CB 3.12Å; S250-N254 PolarHBondContact O-N 3.25Å; S250-N254 VanDerWaalsContact O-N 3.11Å; S250-N254 PolarHBondContact O-ND2 3.43Å; S250-N254 VanDerWaalsContact O-ND2 3.07Å; L251-N254 PolarHBondContact O-N 3.2Å; H252-N254 VanDerWaalsContact C-N 3.26Å; H252-N254 PolarHBondContact O-N 3.25Å; N254-L256 HydrophobicContact CB-CD1 3.71Å; N254-L256 HydrophobicContact CB-CG 3.99Å; N254-L256 PolarHBondContact O-N 3.5Å
255H71.9Confident83.2Confident142 Ų14264.4 Ų64.466%0.65734%0.343SS*.THydrogen-bonded Turntrans54.222.8-174.6-63.5-73.6000114.4L251 H252 S253 S257L251-H255 PolarHBondContact O-N 3.09Å; H252-H255 PolarHBondContact O-N 3.26Å; H252-H255 VanDerWaalsContact O-N 3.08Å; S253-H255 PolarHBondContact O-N 2.88Å; H255-S257 PolarHBondContact O-N 3.45Å
256L72.5Confident83.3Confident100 Ų10065 Ų6552%0.52435%0.348SS..  trans-85.3101.4176.8-66164.3000108L251 N254L251-L256 HydrophobicContact CD2-CB 4.19Å; L251-L256 HydrophobicContact CD2-CD1 4.15Å; L251-L256 WeakPolarHBondContact O-CB 3.43Å; L251-L256 PolarHBondContact O-N 2.96Å; N254-L256 HydrophobicContact CB-CD1 3.71Å; N254-L256 HydrophobicContact CB-CG 3.99Å; N254-L256 PolarHBondContact O-N 3.5Å
257S73.7Confident83.6Confident38 Ų3864.2 Ų64.227%0.26635%0.346SS..  trans-118.2139.9174.9-179.70000110H255 K364H255-S257 PolarHBondContact O-N 3.45Å; S257-K364 WeakPolarHBondContact OG-CB 3.4Å
258P81.2Confident84.2Confident14 Ų1464 Ų649%0.09134%0.344CS..  trans-60.6156.7178.325.9-35.9000112.9L263 N360 K364 I396P258-L263 HydrophobicContact CB-CD2 4.49Å; P258-L263 HydrophobicContact CB-CG 4.35Å; P258-L263 HydrophobicContact CG-CD1 4.26Å; P258-L263 HydrophobicContact CG-CD2 3.7Å; P258-L263 HydrophobicContact CG-CG 3.9Å; P258-N360 HydrophobicContact CG-CB 4.08Å; P258-K364 WeakPolarHBondContact O-CD 3.22Å; P258-K364 PolarHBondContact O-NZ 3.35Å; P258-I396 HydrophobicContact CB-CD1 3.3Å; P258-I396 HydrophobicContact CB-CG1 4.01Å; P258-I396 HydrophobicContact CG-CD1 3.96Å
259S85.4Confident84.6Confident49 Ų4965.9 Ų65.934%0.34336%0.357SS..  trans-63.6153.1175.387.90000110.9K261 T262 L263 K364S259-K261 PolarHBondContact O-N 3.49Å; S259-T262 PolarHBondContact O-N 3.42Å; S259-T262 PolarHBondContact OG-N 3.39Å; S259-T262 PolarHBondContact OG-OG1 2.88Å; S259-L263 PolarHBondContact O-N 3.32Å; S259-K364 VanDerWaalsContact C-NZ 3.31Å
260F89.1Confident85.2Confident89 Ų8964.4 Ų64.439%0.3935%0.35SS..Hα-helixtrans-63.5-34.1177.5-85.4-65.1000111L263 L264 F361 K364 I368F260-L263 HydrophobicContact CD1-CD1 4.43Å; F260-L263 PolarHBondContact O-N 2.93Å; F260-L264 WeakPolarHBondContact O-CB 3.48Å; F260-L264 PolarHBondContact O-N 2.95Å; F260-F361 HydrophobicContact CD1-CD2 4.39Å; F260-F361 HydrophobicContact CD1-CE2 4.28Å; F260-F361 HydrophobicContact CE1-CD2 4.05Å; F260-F361 AromaticContact CE1-CE2 3.81Å; F260-F361 HydrophobicContact CE1-CE2 3.81Å; F260-K364 HydrophobicContact CD1-CD 4.1Å; F260-K364 HydrophobicContact CD2-CD 4.08Å; F260-K364 VanDerWaalsContact CD2-CE 3.49Å; F260-K364 HydrophobicContact CE1-CD 3.88Å; F260-K364 HydrophobicContact CE1-CG 4.35Å; F260-K364 HydrophobicContact CE2-CD 3.88Å; F260-K364 VanDerWaalsContact CE2-CE 3.46Å; F260-K364 HydrophobicContact CE2-CG 4.29Å; F260-K364 HydrophobicContact CG-CD 4.19Å; F260-K364 HydrophobicContact CZ-CD 3.76Å; F260-K364 HydrophobicContact CZ-CG 3.96Å; F260-I368 HydrophobicContact CE2-CD1 3.44Å; F260-I368 VanDerWaalsContact CE2-CD1 3.44Å; F260-I368 HydrophobicContact CZ-CD1 3.55Å
261K90.9Very high86Confident150 Ų15065.6 Ų65.665%0.65236%0.355SS*.Hα-helixtrans-57.8-50.3173-176.1179.6177.7-177.70110.9S259 L263 L264 D265S259-K261 PolarHBondContact O-N 3.49Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 3.38Å; K261-L264 PolarHBondContact O-N 2.92Å; K261-L264 VanDerWaalsContact O-N 3.16Å; K261-D265 WeakPolarHBondContact O-CB 3.29Å; K261-D265 PolarHBondContact O-N 3.03Å
262T87.9Confident86.8Confident47 Ų4769 Ų6929%0.28837%0.367SS..Hα-helixtrans-63.5-37.6179.8-40.40000112.4S259 T266 I396S259-T262 PolarHBondContact O-N 3.42Å; S259-T262 PolarHBondContact OG-N 3.39Å; S259-T262 PolarHBondContact OG-OG1 2.88Å; T262-T266 WeakPolarHBondContact O-CB 3.24Å; T262-T266 PolarHBondContact O-N 2.74Å; T262-T266 PolarHBondContact O-OG1 2.96Å; T262-I396 HydrophobicContact CG2-CD1 3.35Å; T262-I396 HydrophobicContact CG2-CG1 4.26Å
263L90.3Very high87.5Confident8 Ų872 Ų724%0.04238%0.379CS..Hα-helixtrans-64.2-44.9173.8-71.3171.3000111.7P258 S259 F260 K261 T266 L267 L357 N360 F361 K364P258-L263 HydrophobicContact CB-CD2 4.49Å; P258-L263 HydrophobicContact CB-CG 4.35Å; P258-L263 HydrophobicContact CG-CD1 4.26Å; P258-L263 HydrophobicContact CG-CD2 3.7Å; P258-L263 HydrophobicContact CG-CG 3.9Å; S259-L263 PolarHBondContact O-N 3.32Å; F260-L263 HydrophobicContact CD1-CD1 4.43Å; F260-L263 PolarHBondContact O-N 2.93Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 3.38Å; L263-T266 PolarHBondContact O-N 3.48Å; L263-L267 PolarHBondContact O-N 2.94Å; L263-L357 HydrophobicContact CD2-CG 4.42Å; L263-N360 HydrophobicContact CD2-CB 3.89Å; L263-F361 HydrophobicContact CD1-CB 4.26Å; L263-F361 HydrophobicContact CD1-CD2 4.36Å; L263-K364 HydrophobicContact CD1-CD 4.24Å
264L92.7Very high88.4Confident97 Ų9768.9 Ų68.951%0.50836%0.359SS..Hα-helixtrans-64.1-45.4177.5-177.963.1000111.6F260 K261 T266 L267 I268F260-L264 WeakPolarHBondContact O-CB 3.48Å; F260-L264 PolarHBondContact O-N 2.95Å; K261-L264 PolarHBondContact O-N 2.92Å; K261-L264 VanDerWaalsContact O-N 3.16Å; L264-T266 PolarHBondContact O-N 3.47Å; L264-L267 WeakPolarHBondContact O-CB 3.46Å; L264-L267 PolarHBondContact O-N 3.13Å; L264-L267 VanDerWaalsContact O-N 3.15Å; L264-I268 HydrophobicContact CD1-CD1 4.16Å; L264-I268 HydrophobicContact CD1-CG1 4.34Å; L264-I268 HydrophobicContact CG-CD1 3.88Å; L264-I268 HydrophobicContact CG-CG1 4.46Å; L264-I268 WeakPolarHBondContact O-CB 3.31Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.15Å
265D92.2Very high89.5Confident82 Ų8267.7 Ų67.744%0.43935%0.352SS..Hα-helixtrans-58.4-40.5175.9-66.2-23000110.8K261 S269K261-D265 WeakPolarHBondContact O-CB 3.29Å; K261-D265 PolarHBondContact O-N 3.03Å; D265-S269 WeakPolarHBondContact O-CB 3.46Å; D265-S269 PolarHBondContact O-N 3.46Å
266T90.7Very high90.7Very high25 Ų2568.7 Ų68.715%0.15335%0.35CS..Hα-helixtrans-66.7-43.7176.3-53.80000111.4T262 L263 L264 S269 L270 L357 V398T262-T266 WeakPolarHBondContact O-CB 3.24Å; T262-T266 PolarHBondContact O-N 2.74Å; T262-T266 PolarHBondContact O-OG1 2.96Å; L263-T266 PolarHBondContact O-N 3.48Å; L264-T266 PolarHBondContact O-N 3.47Å; T266-S269 WeakPolarHBondContact O-CB 3.19Å; T266-S269 PolarHBondContact O-N 2.94Å; T266-L270 HydrophobicContact CG2-CD1 4.37Å; T266-L270 WeakPolarHBondContact O-CG 3.4Å; T266-L270 PolarHBondContact O-N 3.33Å; T266-L357 HydrophobicContact CG2-CD1 3.78Å; T266-V398 HydrophobicContact CG2-CG1 3.95Å; T266-V398 HydrophobicContact CG2-CG2 4.11Å
267L94.2Very high91.8Very high60 Ų6064.4 Ų64.431%0.31433%0.327SS..Hα-helixtrans-60.6-49.5177.4178.263.9000110.7L263 L264 S269 L270 V271 F354 L357L263-L267 PolarHBondContact O-N 2.94Å; L264-L267 WeakPolarHBondContact O-CB 3.46Å; L264-L267 PolarHBondContact O-N 3.13Å; L264-L267 VanDerWaalsContact O-N 3.15Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 2.7Å; L267-L270 PolarHBondContact O-N 3.24Å; L267-L270 VanDerWaalsContact O-N 3.12Å; L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.07Å; L267-V271 PolarHBondContact O-N 2.96Å; L267-F354 HydrophobicContact CD1-CD2 4.31Å; L267-F354 HydrophobicContact CD1-CE2 4.02Å; L267-L357 HydrophobicContact CB-CD1 3.8Å; L267-L357 HydrophobicContact CD1-CD1 4.48Å
268I95.8Very high92.9Very high74 Ų7467 Ų6738%0.37934%0.337SS..Hα-helixtrans-56.6-47.1177-70169.8000109.8L264 L270 V271 F272L264-I268 HydrophobicContact CD1-CD1 4.16Å; L264-I268 HydrophobicContact CD1-CG1 4.34Å; L264-I268 HydrophobicContact CG-CD1 3.88Å; L264-I268 HydrophobicContact CG-CG1 4.46Å; L264-I268 WeakPolarHBondContact O-CB 3.31Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.15Å; I268-L270 PolarHBondContact O-N 3.41Å; I268-V271 PolarHBondContact O-N 3.36Å; I268-F272 HydrophobicContact CG2-CD2 3.56Å; I268-F272 HydrophobicContact CG2-CE2 3.39Å; I268-F272 WeakPolarHBondContact O-CD2 3.33Å; I268-F272 PolarHBondContact O-N 3.15Å
269S93.7Very high93.6Very high47 Ų4771.3 Ų71.333%0.32936%0.358SS..Hα-helixtrans-58.6-43.4175.5156.70000112.8D265 T266 L267 F272 K273D265-S269 WeakPolarHBondContact O-CB 3.46Å; D265-S269 PolarHBondContact O-N 3.46Å; T266-S269 WeakPolarHBondContact O-CB 3.19Å; T266-S269 PolarHBondContact O-N 2.94Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 2.7Å; S269-F272 PolarHBondContact O-N 3.11Å; S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.46Å
270L94.6Very high94.1Very high8 Ų873 Ų734%0.04236%0.357CS..Hα-helixtrans-66.7-41.3178-70.5174.4000112.2T266 L267 I268 K273 A274 I350 N353 F354 L357T266-L270 HydrophobicContact CG2-CD1 4.37Å; T266-L270 WeakPolarHBondContact O-CG 3.4Å; T266-L270 PolarHBondContact O-N 3.33Å; L267-L270 PolarHBondContact O-N 3.24Å; L267-L270 VanDerWaalsContact O-N 3.12Å; I268-L270 PolarHBondContact O-N 3.41Å; L270-K273 PolarHBondContact O-N 2.92Å; L270-A274 PolarHBondContact O-N 2.67Å; L270-I350 HydrophobicContact CD2-CG2 4.47Å; L270-N353 HydrophobicContact CD1-CB 4.02Å; L270-N353 HydrophobicContact CD2-CB 3.64Å; L270-N353 HydrophobicContact CG-CB 4.48Å; L270-F354 HydrophobicContact CD1-CB 4.29Å; L270-L357 HydrophobicContact CD1-CD1 4.04Å
271V96.7Very high94.3Very high73 Ų7370 Ų7044%0.44235%0.347SS..Hα-helixtrans-62-46.6175.5172.10000110.5L267 I268 K273 A274 I275L267-V271 HydrophobicContact CD1-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.07Å; L267-V271 PolarHBondContact O-N 2.96Å; I268-V271 PolarHBondContact O-N 3.36Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 3.13Å; V271-A274 PolarHBondContact O-N 2.74Å; V271-A274 VanDerWaalsContact O-N 3.15Å; V271-I275 HydrophobicContact CG1-CD1 3.77Å; V271-I275 HydrophobicContact CG1-CG1 4.36Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.31Å; V271-I275 PolarHBondContact O-N 3.46Å
272F97Very high94.4Very high142 Ų14266.3 Ų66.362%0.62334%0.34SS*.Hα-helixtrans-60.8-39.5174.8-82.4-63.9000112.6I268 S269 R276I268-F272 HydrophobicContact CG2-CD2 3.56Å; I268-F272 HydrophobicContact CG2-CE2 3.39Å; I268-F272 WeakPolarHBondContact O-CD2 3.33Å; I268-F272 PolarHBondContact O-N 3.15Å; S269-F272 PolarHBondContact O-N 3.11Å; F272-R276 VanDerWaalsContact O-CB 3.25Å; F272-R276 WeakPolarHBondContact O-CB 3.36Å; F272-R276 PolarHBondContact O-N 3.48Å
273K95.4Very high94.8Very high76 Ų7668.8 Ų68.833%0.3335%0.348SS..Hα-helixtrans-62.6-41.8174.2-73.8173.3-177.1179.80111.5S269 L270 V271 R276 L277 Y349 I350S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.46Å; L270-K273 PolarHBondContact O-N 2.92Å; V271-K273 VanDerWaalsContact C-N 3.32Å; V271-K273 PolarHBondContact O-N 3.13Å; K273-R276 WeakPolarHBondContact O-CB 3.17Å; K273-R276 PolarHBondContact O-N 3.22Å; K273-L277 WeakPolarHBondContact O-CG 3.34Å; K273-L277 PolarHBondContact O-N 3.37Å; K273-Y349 HydrophobicContact CD-CE1 4.17Å; K273-Y349 PolarHBondContact NZ-OH 2.98Å; K273-I350 HydrophobicContact CB-CD1 3.85Å; K273-I350 HydrophobicContact CB-CG1 4.11Å
274A96.5Very high95.1Very high20 Ų2069.2 Ų69.217%0.16535%0.349CS..Hα-helixtrans-66.5-48.217900000111.8L270 V271 R276 L277 I278 W347 I350L270-A274 PolarHBondContact O-N 2.67Å; V271-A274 PolarHBondContact O-N 2.74Å; V271-A274 VanDerWaalsContact O-N 3.15Å; A274-R276 PolarHBondContact O-N 3.12Å; A274-L277 PolarHBondContact O-N 3.09Å; A274-L277 VanDerWaalsContact O-N 3.1Å; A274-I278 WeakPolarHBondContact O-CG1 3.2Å; A274-I278 PolarHBondContact O-N 3.14Å; A274-I278 VanDerWaalsContact O-N 3.09Å; A274-W347 HydrophobicContact CB-CH2 4.46Å; A274-W347 HydrophobicContact CB-CZ3 4.32Å; A274-I350 HydrophobicContact CB-CD1 4.04Å; A274-I350 HydrophobicContact CB-CG2 4.39Å
275I97.5Very high95.1Very high81 Ų8166.2 Ų66.242%0.41534%0.336SS..Hα-helixtrans-56-43.4174.4-66.3170000109.9V271 L277 I278 I279V271-I275 HydrophobicContact CG1-CD1 3.77Å; V271-I275 HydrophobicContact CG1-CG1 4.36Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.31Å; V271-I275 PolarHBondContact O-N 3.46Å; I275-L277 PolarHBondContact O-N 3.48Å; I275-I278 PolarHBondContact O-N 2.87Å; I275-I279 HydrophobicContact CG2-CD1 3.71Å; I275-I279 HydrophobicContact CG2-CG1 4.3Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.25Å
276R96.7Very high95.2Very high163 Ų16366.5 Ų66.562%0.61534%0.337SS*.Hα-helixtrans-61.6-40177.5-174.7177.2-174.7-160.5-3.1112.8F272 K273 A274 I279 W280F272-R276 VanDerWaalsContact O-CB 3.25Å; F272-R276 WeakPolarHBondContact O-CB 3.36Å; F272-R276 PolarHBondContact O-N 3.48Å; K273-R276 WeakPolarHBondContact O-CB 3.17Å; K273-R276 PolarHBondContact O-N 3.22Å; A274-R276 PolarHBondContact O-N 3.12Å; R276-I279 PolarHBondContact O-N 3.48Å; R276-W280 PolarHBondContact O-N 3.41Å
277L96.6Very high95.5Very high9 Ų966.7 Ų66.75%0.04734%0.339CS..Hα-helixtrans-64.1-43.2175.7-69.6-175.7000111.9K273 A274 I275 W280 S281 L342 Q343 G346 W347 I350K273-L277 WeakPolarHBondContact O-CG 3.34Å; K273-L277 PolarHBondContact O-N 3.37Å; A274-L277 PolarHBondContact O-N 3.09Å; A274-L277 VanDerWaalsContact O-N 3.1Å; I275-L277 PolarHBondContact O-N 3.48Å; L277-W280 PolarHBondContact O-N 2.91Å; L277-S281 WeakPolarHBondContact O-CB 3.45Å; L277-S281 PolarHBondContact O-N 3.04Å; L277-L342 HydrophobicContact CD2-CD1 4.02Å; L277-L342 HydrophobicContact CD2-CD2 4.2Å; L277-L342 HydrophobicContact CD2-CG 3.66Å; L277-Q343 PolarHBondContact O-NE2 2.92Å; L277-G346 VanDerWaalsContact CD1-C 3.5Å; L277-W347 HydrophobicContact CB-CZ2 4.19Å; L277-W347 HydrophobicContact CD1-CD2 4.11Å; L277-W347 HydrophobicContact CD1-CG 4.13Å; L277-I350 HydrophobicContact CD1-CD1 3.46Å; L277-I350 VanDerWaalsContact CD1-CD1 3.46Å; L277-I350 HydrophobicContact CG-CD1 4.14Å
278I95.9Very high95.6Very high92 Ų9263.9 Ų63.947%0.47232%0.324SS..Hα-helixtrans-61.5-48.3176.6-63.5169.4000110.2A274 I275 W280 S281 S282 W347A274-I278 WeakPolarHBondContact O-CG1 3.2Å; A274-I278 PolarHBondContact O-N 3.14Å; A274-I278 VanDerWaalsContact O-N 3.09Å; I275-I278 PolarHBondContact O-N 2.87Å; I278-W280 VanDerWaalsContact C-N 3.35Å; I278-W280 PolarHBondContact O-N 3.01Å; I278-S281 PolarHBondContact O-N 3.26Å; I278-S282 PolarHBondContact O-N 3.2Å; I278-S282 PolarHBondContact O-OG 3.4Å; I278-W347 HydrophobicContact CD1-CH2 4.09Å; I278-W347 HydrophobicContact CD1-CZ2 4.47Å; I278-W347 HydrophobicContact CG1-CH2 3.89Å; I278-W347 HydrophobicContact CG1-CZ2 3.78Å
279I96.7Very high95.5Very high105 Ų10561.1 Ų61.154%0.53831%0.311SS..Hα-helixtrans-57.5-47.6177.8-70.3170.5000110.7I275 R276 S281 S282 F283I275-I279 HydrophobicContact CG2-CD1 3.71Å; I275-I279 HydrophobicContact CG2-CG1 4.3Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.25Å; R276-I279 PolarHBondContact O-N 3.48Å; I279-S281 PolarHBondContact O-N 3.1Å; I279-S282 PolarHBondContact O-N 2.64Å; I279-F283 WeakPolarHBondContact O-CB 3.3Å; I279-F283 PolarHBondContact O-N 3.19Å
280W95.3Very high95.5Very high85 Ų8562.4 Ų62.432%0.32231%0.314SS..Hα-helixtrans-63.2-41.6179.1-80.6126.3000112.8R276 L277 I278 F283 W284 I339 L342R276-W280 PolarHBondContact O-N 3.41Å; L277-W280 PolarHBondContact O-N 2.91Å; I278-W280 VanDerWaalsContact C-N 3.35Å; I278-W280 PolarHBondContact O-N 3.01Å; W280-F283 AromaticContact CE3-CD1 3.92Å; W280-F283 HydrophobicContact CE3-CD1 3.92Å; W280-F283 AromaticContact CZ3-CD1 3.87Å; W280-F283 HydrophobicContact CZ3-CD1 3.87Å; W280-F283 HydrophobicContact CZ3-CE1 4.06Å; W280-W284 WeakPolarHBondContact O-CB 3.47Å; W280-W284 PolarHBondContact O-N 3.44Å; W280-I339 HydrophobicContact CB-CD1 4.43Å; W280-I339 HydrophobicContact CD2-CD1 4.42Å; W280-I339 HydrophobicContact CE3-CD1 4.22Å; W280-L342 HydrophobicContact CG-CD2 4.35Å
281S94Very high95.6Very high25 Ų2562.5 Ų62.518%0.17532%0.315CS..Hα-helixtrans-62.2-47.8177.2-168.40000111.2L277 I278 I279 S285L277-S281 WeakPolarHBondContact O-CB 3.45Å; L277-S281 PolarHBondContact O-N 3.04Å; I278-S281 PolarHBondContact O-N 3.26Å; I279-S281 PolarHBondContact O-N 3.1Å; S281-S285 VanDerWaalsContact O-CB 3.22Å; S281-S285 WeakPolarHBondContact O-CB 3.37Å; S281-S285 PolarHBondContact O-N 3.3Å
282S93.2Very high95.5Very high73 Ų7359.6 Ų59.651%0.5130%0.296SS..Hα-helixtrans-67.1-43.9-180-62.20000112.4I278 I279 S285 L286I278-S282 PolarHBondContact O-N 3.2Å; I278-S282 PolarHBondContact O-OG 3.4Å; I279-S282 PolarHBondContact O-N 2.64Å; S282-S285 WeakPolarHBondContact O-CB 3.24Å; S282-S285 PolarHBondContact O-N 2.9Å; S282-L286 PolarHBondContact O-N 3.04Å
283F95.2Very high95.5Very high100 Ų10052.9 Ų52.944%0.43927%0.266SS..Hα-helixtrans-59.3-48.7175.9171.2-103.3000111.2I279 W280 L286 C287I279-F283 WeakPolarHBondContact O-CB 3.3Å; I279-F283 PolarHBondContact O-N 3.19Å; W280-F283 AromaticContact CE3-CD1 3.92Å; W280-F283 HydrophobicContact CE3-CD1 3.92Å; W280-F283 AromaticContact CZ3-CD1 3.87Å; W280-F283 HydrophobicContact CZ3-CD1 3.87Å; W280-F283 HydrophobicContact CZ3-CE1 4.06Å; F283-L286 WeakPolarHBondContact O-CB 3.34Å; F283-L286 PolarHBondContact O-N 3.34Å; F283-C287 VanDerWaalsContact CZ-SG 3.56Å; F283-C287 PolarHBondContact O-N 2.91Å; F283-C287 PolarHBondContact O-SG 3.28Å; F283-C287 VanDerWaalsContact O-SG 3.36Å
284W96Very high95.5Very high16 Ų1649.2 Ų49.26%0.06125%0.251CS..Hα-helixtrans-68-38.7-178.7-162.4-109.6000112.2W65 W280 L286 C287 L288 L332 L335 H336 I339W65-W284 HydrophobicContact CH2-CB 4.33Å; W65-W284 AromaticContact CH2-CD1 3.98Å; W65-W284 AromaticContact CZ3-CD1 3.97Å; W280-W284 WeakPolarHBondContact O-CB 3.47Å; W280-W284 PolarHBondContact O-N 3.44Å; W284-L286 VanDerWaalsContact C-N 3.29Å; W284-L286 PolarHBondContact O-N 3.45Å; W284-C287 WeakPolarHBondContact O-CB 3.36Å; W284-C287 PolarHBondContact O-N 2.8Å; W284-C287 VanDerWaalsContact O-N 3.17Å; W284-L288 WeakPolarHBondContact O-CG 3.28Å; W284-L288 PolarHBondContact O-N 3.3Å; W284-L332 HydrophobicContact CH2-CD2 4.09Å; W284-L332 WeakPolarHBondContact CZ2-O 3.28Å; W284-L335 HydrophobicContact CH2-CB 3.52Å; W284-L335 HydrophobicContact CH2-CD1 4.29Å; W284-L335 HydrophobicContact CZ2-CB 4.06Å; W284-L335 HydrophobicContact CZ3-CB 4.22Å; W284-H336 AromaticContact CD1-ND1 3.85Å; W284-H336 AromaticContact CE2-ND1 3.82Å; W284-H336 VanDerWaalsContact CZ2-CA 3.49Å; W284-H336 HydrophobicContact CZ2-CB 3.7Å; W284-H336 AromaticContact NE1-CE1 3.67Å; W284-H336 AromaticContact NE1-CG 3.41Å; W284-H336 AromaticContact NE1-ND1 2.92Å; W284-H336 PolarHBondContact NE1-ND1 3.39Å; W284-I339 HydrophobicContact CB-CG1 4.5Å; W284-I339 HydrophobicContact CB-CG2 3.89Å; W284-I339 HydrophobicContact CD2-CB 4.41Å; W284-I339 HydrophobicContact CD2-CG1 3.87Å; W284-I339 HydrophobicContact CE3-CG1 4.16Å; W284-I339 HydrophobicContact CG-CB 4.14Å; W284-I339 HydrophobicContact CG-CG1 4.02Å; W284-I339 HydrophobicContact CG-CG2 3.82Å
285S94.2Very high95.4Very high34 Ų3448.5 Ų48.524%0.23824%0.244CC..Hα-helixtrans-54.2-46.7171.2-171.70000111.4Q58 S281 S282 L288 C289Q58-S285 PolarHBondContact NE2-O 2.66Å; Q58-S285 PolarHBondContact NE2-OG 3.29Å; S281-S285 VanDerWaalsContact O-CB 3.22Å; S281-S285 WeakPolarHBondContact O-CB 3.37Å; S281-S285 PolarHBondContact O-N 3.3Å; S282-S285 WeakPolarHBondContact O-CB 3.24Å; S282-S285 PolarHBondContact O-N 2.9Å; S285-L288 PolarHBondContact O-N 3.42Å; S285-C289 PolarHBondContact O-N 2.95Å; S285-C289 PolarHBondContact O-SG 3.04Å; S285-C289 VanDerWaalsContact O-SG 3.34Å
286L93.9Very high95.3Very high88 Ų8844.7 Ų44.746%0.46122%0.224SC..Hα-helixtrans-65.1-41.4176.4-177.9130.1000112.3S282 F283 W284 L288 C289 I290S282-L286 PolarHBondContact O-N 3.04Å; F283-L286 WeakPolarHBondContact O-CB 3.34Å; F283-L286 PolarHBondContact O-N 3.34Å; W284-L286 VanDerWaalsContact C-N 3.29Å; W284-L286 PolarHBondContact O-N 3.45Å; L286-L288 VanDerWaalsContact C-N 3.26Å; L286-L288 PolarHBondContact O-N 3.45Å; L286-C289 WeakPolarHBondContact O-CB 3.41Å; L286-C289 PolarHBondContact O-N 3.03Å; L286-I290 HydrophobicContact CD2-CD1 3.68Å; L286-I290 HydrophobicContact CG-CD1 4.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 2.72Å
287C95.6Very high95.1Very high29 Ų2936.9 Ų36.920%0.19620%0.195CC..Hα-helixtrans-56.2-41.4173.9-690000112.1F283 W284 C289 I290 V291F283-C287 VanDerWaalsContact CZ-SG 3.56Å; F283-C287 PolarHBondContact O-N 2.91Å; F283-C287 PolarHBondContact O-SG 3.28Å; F283-C287 VanDerWaalsContact O-SG 3.36Å; W284-C287 WeakPolarHBondContact O-CB 3.36Å; W284-C287 PolarHBondContact O-N 2.8Å; W284-C287 VanDerWaalsContact O-N 3.17Å; C287-C289 PolarHBondContact O-N 2.9Å; C287-I290 PolarHBondContact O-N 2.75Å; C287-V291 WeakPolarHBondContact O-CG2 3.22Å; C287-V291 PolarHBondContact O-N 3.39Å
288L96.1Very high94.7Very high1 Ų140.7 Ų40.71%0.00521%0.209CC..Hα-helixtrans-72.2-12.8178.7-63.6167.3000114.2Q58 D59 W65 W284 S285 L286 V291 Y292 P293 H336Q58-L288 HydrophobicContact CG-CB 3.82Å; D59-L288 HydrophobicContact CB-CB 4.4Å; D59-L288 HydrophobicContact CB-CD2 4.35Å; D59-L288 PolarHBondContact N-O 2.93Å; W65-L288 HydrophobicContact CD2-CD1 4.11Å; W65-L288 HydrophobicContact CG-CD1 4.34Å; W65-L288 HydrophobicContact CZ2-CD1 4.05Å; W284-L288 WeakPolarHBondContact O-CG 3.28Å; W284-L288 PolarHBondContact O-N 3.3Å; S285-L288 PolarHBondContact O-N 3.42Å; L286-L288 VanDerWaalsContact C-N 3.26Å; L286-L288 PolarHBondContact O-N 3.45Å; L288-V291 CarbonylContact C-O 3.45Å; L288-V291 WeakPolarHBondContact CA-O 3.22Å; L288-Y292 WeakPolarHBondContact O-CD1 3.43Å; L288-P293 HydrophobicContact CD2-CG 3.96Å; L288-H336 WeakPolarHBondContact CD1-CE1 3.42Å
289C94.4Very high94.5Very high16 Ų1637.6 Ų37.611%0.10819%0.194CC..Hα-helixtrans-86.2-19.6168.6-610000112.3L56 M57 S285 L286 C287L56-C289 HydrophobicContact CB-CB 4.22Å; L56-C289 HydrophobicContact CD1-CB 4.18Å; M57-C289 WeakPolarHBondContact O-CA 3.2Å; S285-C289 PolarHBondContact O-N 2.95Å; S285-C289 PolarHBondContact O-SG 3.04Å; S285-C289 VanDerWaalsContact O-SG 3.34Å; L286-C289 WeakPolarHBondContact O-CB 3.41Å; L286-C289 PolarHBondContact O-N 3.03Å; C287-C289 PolarHBondContact O-N 2.9Å
290I94.3Very high94.3Very high75 Ų7532.6 Ų32.639%0.38517%0.168SC..Hα-helixtrans-92.6-47.7-178.3-63.4170.3000110.6F31 K35 L286 C287F31-I290 HydrophobicContact CD2-CG2 3.78Å; F31-I290 HydrophobicContact CE2-CG2 3.98Å; K35-I290 PolarHBondContact NZ-O 3.47Å; L286-I290 HydrophobicContact CD2-CD1 3.68Å; L286-I290 HydrophobicContact CG-CD1 4.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 2.72Å; C287-I290 PolarHBondContact O-N 2.75Å
291V95.8Very high93.9Very high10 Ų1029.7 Ų29.76%0.06116%0.161CC..  trans-126.8150.8-180-670000110.7L30 F31 C287 L288 P293 L332L30-V291 HydrophobicContact CD2-CB 3.99Å; L30-V291 HydrophobicContact CD2-CG2 4.41Å; L30-V291 HydrophobicContact CG-CB 4.16Å; L30-V291 HydrophobicContact CG-CG1 4.42Å; F31-V291 HydrophobicContact CB-CG1 3.87Å; F31-V291 HydrophobicContact CD2-CG1 4.38Å; C287-V291 WeakPolarHBondContact O-CG2 3.22Å; C287-V291 PolarHBondContact O-N 3.39Å; L288-V291 CarbonylContact C-O 3.45Å; L288-V291 WeakPolarHBondContact CA-O 3.22Å; V291-P293 WeakPolarHBondContact O-CD 3.08Å; V291-L332 HydrophobicContact CG2-CD1 3.83Å
292Y96.1Very high93.6Very high11 Ų1134 Ų344%0.04317%0.174CC..  trans-11859.3-171-47.3-47000113.7S34 L40 L43 L45 D59 L288 N294 S295 F296S34-Y292 VanDerWaalsContact CB-CD2 3.48Å; S34-Y292 VanDerWaalsContact O-CE2 3.28Å; S34-Y292 WeakPolarHBondContact O-CE2 3.26Å; S34-Y292 PolarHBondContact OG-N 3.19Å; L40-Y292 HydrophobicContact CD2-CE2 3.83Å; L43-Y292 HydrophobicContact CD1-CD2 3.27Å; L43-Y292 HydrophobicContact CD1-CE2 3.95Å; L43-Y292 HydrophobicContact CD1-CG 4.07Å; L45-Y292 HydrophobicContact CD1-CE2 4.06Å; L45-Y292 HydrophobicContact CD2-CD1 3.8Å; L45-Y292 HydrophobicContact CD2-CD2 4.1Å; L45-Y292 HydrophobicContact CD2-CE1 3.98Å; L45-Y292 HydrophobicContact CD2-CE2 4.21Å; L45-Y292 HydrophobicContact CD2-CG 3.84Å; D59-Y292 HydrophobicContact CB-CD1 3.98Å; D59-Y292 HydrophobicContact CB-CG 4.48Å; D59-Y292 VanDerWaalsContact OD2-CA 3.27Å; D59-Y292 WeakPolarHBondContact OD2-CA 3.27Å; L288-Y292 WeakPolarHBondContact O-CD1 3.43Å; Y292-N294 VanDerWaalsContact C-N 3.34Å; Y292-N294 PolarHBondContact O-N 3.2Å; Y292-S295 PolarHBondContact O-N 3.4Å; Y292-F296 VanDerWaalsContact O-CD2 3.3Å; Y292-F296 WeakPolarHBondContact O-CD2 3.23Å; Y292-F296 PolarHBondContact O-N 3.34Å; Y292-F296 VanDerWaalsContact O-N 3.09Å
293P96Very high93.2Very high1 Ų130.5 Ų30.51%0.00615%0.149CC..Hα-helixtrans-64-32-169.928.1-36.4000114.4L30 L288 V291 G297 L332L30-P293 HydrophobicContact CD2-CB 4.04Å; L288-P293 HydrophobicContact CD2-CG 3.96Å; V291-P293 WeakPolarHBondContact O-CD 3.08Å; P293-G297 PolarHBondContact O-N 3.31Å; P293-L332 HydrophobicContact CB-CB 3.62Å; P293-L332 HydrophobicContact CB-CD1 4.15Å; P293-L332 HydrophobicContact CG-CB 3.86Å; P293-L332 HydrophobicContact CG-CD1 4.23Å
294N95.1Very high92.7Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-71.3-48.6-179.9-56.3-49.5000109.9D59 A61 E62 Y292 F296 G297 Y298 R333 H336D59-N294 WeakPolarHBondContact OD2-CA 3.46Å; D59-N294 VanDerWaalsContact OD2-CB 3.24Å; D59-N294 WeakPolarHBondContact OD2-CB 3.41Å; D59-N294 PolarHBondContact OD2-N 3.29Å; A61-N294 HydrophobicContact CB-CB 3.87Å; E62-N294 HydrophobicContact CB-CB 4.3Å; Y292-N294 VanDerWaalsContact C-N 3.34Å; Y292-N294 PolarHBondContact O-N 3.2Å; N294-F296 PolarHBondContact O-N 2.98Å; N294-G297 PolarHBondContact O-N 3.1Å; N294-G297 VanDerWaalsContact O-N 3.13Å; N294-Y298 WeakPolarHBondContact O-CD2 3.41Å; N294-Y298 PolarHBondContact O-N 3.24Å; N294-Y298 VanDerWaalsContact O-N 3.12Å; N294-R333 WeakPolarHBondContact OD1-CD 3.47Å; N294-R333 PolarHBondContact OD1-NH1 3.28Å; N294-H336 PolarHBondContact ND2-CE1 3.28Å; N294-H336 PolarHBondContact ND2-ND1 3.18Å
295S94.5Very high92.2Very high4 Ų425.9 Ų25.93%0.02813%0.13CC..Hα-helixtrans-58.3-49.9177.7-730000111.3R44 D59 Y292 G297 Y298 L299R44-S295 PolarHBondContact N-OG 3.06Å; R44-S295 VanDerWaalsContact N-OG 3.15Å; R44-S295 PolarHBondContact O-OG 3.4Å; D59-S295 WeakPolarHBondContact OD1-CB 3.19Å; D59-S295 PolarHBondContact OD1-N 2.93Å; D59-S295 PolarHBondContact OD1-OG 2.94Å; D59-S295 PolarHBondContact OD2-N 3.16Å; Y292-S295 PolarHBondContact O-N 3.4Å; S295-G297 VanDerWaalsContact C-N 3.29Å; S295-G297 PolarHBondContact O-N 2.82Å; S295-Y298 PolarHBondContact O-N 3.41Å; S295-L299 WeakPolarHBondContact O-CG 3.36Å; S295-L299 PolarHBondContact O-N 2.82Å
296F94.6Very high91.5Very high1 Ų126.1 Ų26.10%0.00413%0.131CC..Hα-helixtrans-61.9-37.8175.3-84-75.8000112.5L30 S33 N39 L43 Y292 N294 Y298 L299 I300 L319 I321 T325 S329L30-F296 HydrophobicContact CD1-CB 4.17Å; L30-F296 HydrophobicContact CD1-CD2 3.44Å; L30-F296 VanDerWaalsContact CD1-CD2 3.44Å; L30-F296 HydrophobicContact CD1-CE2 4.02Å; L30-F296 HydrophobicContact CD1-CG 3.87Å; S33-F296 WeakPolarHBondContact O-CZ 3.49Å; N39-F296 HydrophobicContact CB-CE1 4.43Å; N39-F296 HydrophobicContact CB-CZ 4.02Å; L43-F296 HydrophobicContact CD1-CE2 3.96Å; L43-F296 HydrophobicContact CD1-CZ 4.35Å; L43-F296 HydrophobicContact CD2-CD2 4.02Å; L43-F296 HydrophobicContact CD2-CE1 4.39Å; L43-F296 HydrophobicContact CD2-CE2 3.85Å; L43-F296 HydrophobicContact CD2-CG 4.35Å; L43-F296 HydrophobicContact CD2-CZ 4.03Å; Y292-F296 VanDerWaalsContact O-CD2 3.3Å; Y292-F296 WeakPolarHBondContact O-CD2 3.23Å; Y292-F296 PolarHBondContact O-N 3.34Å; Y292-F296 VanDerWaalsContact O-N 3.09Å; N294-F296 PolarHBondContact O-N 2.98Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 2.93Å; F296-L299 PolarHBondContact O-N 3.36Å; F296-L299 VanDerWaalsContact O-N 3.1Å; F296-I300 WeakPolarHBondContact O-CG1 3.17Å; F296-I300 PolarHBondContact O-N 3.42Å; F296-L319 HydrophobicContact CD1-CD2 4.4Å; F296-L319 HydrophobicContact CE1-CD2 4.42Å; F296-I321 HydrophobicContact CD1-CG2 4.27Å; F296-I321 HydrophobicContact CE1-CG2 4.06Å; F296-T325 HydrophobicContact CD1-CG2 4Å; F296-T325 HydrophobicContact CE1-CG2 4.32Å; F296-T325 HydrophobicContact CG-CG2 4.32Å; F296-S329 WeakPolarHBondContact CB-OG 3.48Å
297G92.5Very high90.7Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-55.8-44.3176.900000113.2P293 N294 S295 I300 V548P293-G297 PolarHBondContact O-N 3.31Å; N294-G297 PolarHBondContact O-N 3.1Å; N294-G297 VanDerWaalsContact O-N 3.13Å; S295-G297 VanDerWaalsContact C-N 3.29Å; S295-G297 PolarHBondContact O-N 2.82Å; G297-I300 WeakPolarHBondContact O-CB 3.35Å; G297-V548 WeakPolarHBondContact O-CG1 3.36Å
298Y89.3Confident89.9Confident88 Ų8825.9 Ų25.935%0.34513%0.126SC..Hα-helixtrans-72.7-28.6176-71.6-67.5000113.5A61 N294 S295 F296 I300 S301 R333A61-Y298 HydrophobicContact CB-CD2 3.87Å; A61-Y298 HydrophobicContact CB-CE2 4.1Å; A61-Y298 WeakPolarHBondContact O-CE2 3.33Å; N294-Y298 WeakPolarHBondContact O-CD2 3.41Å; N294-Y298 PolarHBondContact O-N 3.24Å; N294-Y298 VanDerWaalsContact O-N 3.12Å; S295-Y298 PolarHBondContact O-N 3.41Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 2.93Å; Y298-I300 VanDerWaalsContact C-N 3.27Å; Y298-I300 PolarHBondContact O-N 3.07Å; Y298-S301 PolarHBondContact O-OG 3.13Å; Y298-R333 PolarHBondContact OH-NH2 3.37Å
299L91.5Very high88.7Confident28 Ų2827 Ų2715%0.14713%0.134CC..Hα-helixtrans-76.1-12.5178.2-67.9174.5000113.6L42 L43 S295 F296 S301 Y302 A303 L319L42-L299 HydrophobicContact CB-CD1 3.85Å; L42-L299 HydrophobicContact CB-CD2 4.41Å; L43-L299 HydrophobicContact CD2-CD1 3.64Å; S295-L299 WeakPolarHBondContact O-CG 3.36Å; S295-L299 PolarHBondContact O-N 2.82Å; F296-L299 PolarHBondContact O-N 3.36Å; F296-L299 VanDerWaalsContact O-N 3.1Å; L299-S301 PolarHBondContact O-N 3.13Å; L299-S301 VanDerWaalsContact O-N 3.11Å; L299-Y302 CarbonylContact O-C 3.59Å; L299-Y302 PolarHBondContact O-N 2.94Å; L299-A303 PolarHBondContact O-N 3.35Å; L299-L319 HydrophobicContact CB-CD2 3.71Å; L299-L319 HydrophobicContact CD1-CD2 4.04Å; L299-L319 HydrophobicContact CG-CD2 4.47Å
300I91.8Very high87.3Confident0 Ų035 Ų350%017%0.167CC..G310 helixtrans-52.4-36.6179.8-75.8165.6000112.3F296 G297 Y298 Y302 A303 I326 I330 V548 Q551 L552 W555F296-I300 WeakPolarHBondContact O-CG1 3.17Å; F296-I300 PolarHBondContact O-N 3.42Å; G297-I300 WeakPolarHBondContact O-CB 3.35Å; Y298-I300 VanDerWaalsContact C-N 3.27Å; Y298-I300 PolarHBondContact O-N 3.07Å; I300-Y302 PolarHBondContact O-N 3.23Å; I300-A303 PolarHBondContact O-N 3.47Å; I300-I326 HydrophobicContact CD1-CG2 4.43Å; I300-I330 HydrophobicContact CD1-CG1 4.47Å; I300-V548 HydrophobicContact CB-CG1 3.86Å; I300-V548 HydrophobicContact CB-CG2 4.4Å; I300-V548 HydrophobicContact CD1-CG1 4.22Å; I300-V548 HydrophobicContact CG2-CG1 3.85Å; I300-Q551 HydrophobicContact CG2-CB 4.31Å; I300-Q551 HydrophobicContact CG2-CG 4.19Å; I300-L552 HydrophobicContact CD1-CD2 4.2Å; I300-L552 HydrophobicContact CG2-CD2 3.92Å; I300-L552 HydrophobicContact CG2-CG 4.09Å; I300-W555 HydrophobicContact CG2-CH2 4.03Å; I300-W555 HydrophobicContact CG2-CZ3 3.66Å
301S87.6Confident85.8Confident23 Ų2338.9 Ų38.916%0.16118%0.184CC..G310 helixtrans-66.4-18.1179.256.20000114.4Y298 L299Y298-S301 PolarHBondContact O-OG 3.13Å; L299-S301 PolarHBondContact O-N 3.13Å; L299-S301 VanDerWaalsContact O-N 3.11Å
302Y86.9Confident84.2Confident115 Ų11543.4 Ų43.445%0.45121%0.208SC..G310 helixtrans-110.56.1-180-51.4-72.2000112.1L299 I300 D318L299-Y302 CarbonylContact O-C 3.59Å; L299-Y302 PolarHBondContact O-N 2.94Å; I300-Y302 PolarHBondContact O-N 3.23Å; Y302-D318 PolarHBondContact O-N 2.94Å
303A86.5Confident82.4Confident0 Ų052.3 Ų52.30%025%0.247CC..EExtended strand (participates in β ladder)trans-103155.6-173.500000112.4L299 I300 Y317 L319 I321 W555L299-A303 PolarHBondContact O-N 3.35Å; I300-A303 PolarHBondContact O-N 3.47Å; A303-Y317 WeakPolarHBondContact O-CD1 3.29Å; A303-L319 CarbonylContact C-O 3.57Å; A303-L319 WeakPolarHBondContact CA-O 3.39Å; A303-L319 HydrophobicContact CB-CB 4.18Å; A303-L319 HydrophobicContact CB-CD2 4.06Å; A303-L319 HydrophobicContact CB-CG 4.17Å; A303-I321 HydrophobicContact CB-CD1 3.55Å; A303-I321 HydrophobicContact CB-CG1 3.87Å; A303-W555 HydrophobicContact CB-CH2 4.23Å; A303-W555 VanDerWaalsContact O-CZ2 3.26Å; A303-W555 WeakPolarHBondContact O-CZ2 3.3Å
304Q84.4Confident80.6Confident20 Ų2055.4 Ų55.49%0.09327%0.268CS..EExtended strand (participates in β ladder)trans-121.9141.9169.2-164.7174.49.400110.3S306 Y317 L319 I321Q304-S306 PolarHBondContact O-N 3.3Å; Q304-Y317 HydrophobicContact CB-CD2 3.69Å; Q304-Y317 HydrophobicContact CB-CE2 4.39Å; Q304-Y317 HydrophobicContact CB-CG 3.81Å; Q304-Y317 HydrophobicContact CG-CD2 3.91Å; Q304-Y317 HydrophobicContact CG-CE2 4.28Å; Q304-L319 PolarHBondContact N-O 3.17Å; Q304-I321 PolarHBondContact O-N 3.46Å
305I84Confident78.9Confident0 Ų063.4 Ų63.40%031%0.311CS..EExtended strand (participates in β ladder)trans-69.5124.2174.1-62.4179.7000109.1E307 L308 S309 I321 R323 I326 W555 L562I305-E307 HydrophobicContact CG2-CB 4.31Å; I305-E307 VanDerWaalsContact CG2-OE2 3.24Å; I305-E307 WeakPolarHBondContact CG2-OE2 3.22Å; I305-E307 PolarHBondContact O-N 3.35Å; I305-E307 VanDerWaalsContact O-N 3.11Å; I305-L308 HydrophobicContact CB-CB 4.23Å; I305-L308 HydrophobicContact CB-CD1 3.99Å; I305-L308 HydrophobicContact CB-CG 4.03Å; I305-L308 HydrophobicContact CD1-CD1 4.04Å; I305-L308 HydrophobicContact CG1-CD1 4.42Å; I305-L308 HydrophobicContact CG2-CD1 4.48Å; I305-L308 HydrophobicContact CG2-CG 4.17Å; I305-L308 CarbonylContact O-C 3.52Å; I305-L308 WeakPolarHBondContact O-CA 3.47Å; I305-L308 PolarHBondContact O-N 2.78Å; I305-S309 PolarHBondContact O-N 3.17Å; I305-I321 CarbonylContact C-O 3.53Å; I305-I321 VanDerWaalsContact CA-O 3.27Å; I305-I321 WeakPolarHBondContact CA-O 3.29Å; I305-R323 HydrophobicContact CG2-CG 3.89Å; I305-I326 HydrophobicContact CD1-CD1 3.95Å; I305-I326 HydrophobicContact CG1-CD1 3.57Å; I305-W555 HydrophobicContact CD1-CB 4.05Å; I305-W555 HydrophobicContact CD1-CD2 3.57Å; I305-W555 HydrophobicContact CD1-CE3 4.01Å; I305-W555 HydrophobicContact CD1-CG 3.61Å; I305-W555 HydrophobicContact CG1-CD2 3.89Å; I305-W555 HydrophobicContact CG1-CE3 4.24Å; I305-W555 HydrophobicContact CG1-CG 4.35Å; I305-W555 HydrophobicContact CG1-CH2 4.28Å; I305-W555 HydrophobicContact CG1-CZ2 3.91Å; I305-W555 HydrophobicContact CG1-CZ3 4.43Å; I305-L562 HydrophobicContact CD1-CD2 4.33Å
306S80.9Confident77.4Confident38 Ų3870.4 Ų70.427%0.26634%0.343SS..Hα-helixtrans-55.5-31.1-175.677.40000114.2Q304 S309 I321Q304-S306 PolarHBondContact O-N 3.3Å; S306-S309 PolarHBondContact O-OG 3.41Å; S306-I321 PolarHBondContact N-O 3.14Å
307E77.4Confident76Confident66 Ų6673.9 Ų73.931%0.30836%0.357SS..Hα-helixtrans-79.7-26.1179-60.897.2127.800112.6I305 R323I305-E307 HydrophobicContact CG2-CB 4.31Å; I305-E307 VanDerWaalsContact CG2-OE2 3.24Å; I305-E307 WeakPolarHBondContact CG2-OE2 3.22Å; I305-E307 PolarHBondContact O-N 3.35Å; I305-E307 VanDerWaalsContact O-N 3.11Å; E307-R323 IonicContact OE1-CZ 3.02Å; E307-R323 IonicContact OE1-NH1 3.4Å; E307-R323 PolarHBondContact OE1-NH1 3.31Å
308L77.5Confident74.9Confident46 Ų4680.2 Ų80.224%0.24139%0.391CS..Hα-helixtrans-87.6-27.2175-60.2-179.6000111.7I305 K310 Q311 N312 D559I305-L308 HydrophobicContact CB-CB 4.23Å; I305-L308 HydrophobicContact CB-CD1 3.99Å; I305-L308 HydrophobicContact CB-CG 4.03Å; I305-L308 HydrophobicContact CD1-CD1 4.04Å; I305-L308 HydrophobicContact CG1-CD1 4.42Å; I305-L308 HydrophobicContact CG2-CD1 4.48Å; I305-L308 HydrophobicContact CG2-CG 4.17Å; I305-L308 CarbonylContact O-C 3.52Å; I305-L308 WeakPolarHBondContact O-CA 3.47Å; I305-L308 PolarHBondContact O-N 2.78Å; L308-K310 PolarHBondContact O-N 3.44Å; L308-Q311 PolarHBondContact O-N 3.21Å; L308-Q311 VanDerWaalsContact O-N 3.07Å; L308-N312 PolarHBondContact O-N 3.25Å; L308-D559 HydrophobicContact CD1-CB 4.41Å
309S71.1Confident74.6Confident25 Ų2576.2 Ų76.218%0.17538%0.376CS..Hα-helixtrans-64.7-27.7177.871.10000113I305 S306 Q311 N312I305-S309 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact O-OG 3.41Å; S309-Q311 PolarHBondContact O-N 3.48Å; S309-Q311 VanDerWaalsContact O-N 3.13Å; S309-N312 CarbonylContact O-C 3.49Å; S309-N312 PolarHBondContact O-N 2.87Å
310K65.9Low74.3Confident183 Ų18379.8 Ų79.880%0.79639%0.393SS*.THydrogen-bonded Turntrans-59.7-23.4172.9-68.5-175.9-179-178.60113.3L308L308-K310 PolarHBondContact O-N 3.44Å
311Q62Low74.2Confident157 Ų15779.9 Ų79.973%0.73439%0.394SS*.THydrogen-bonded Turntrans-94.2-30.8179.7-64.5-178.3-20.100112.7L308 S309L308-Q311 PolarHBondContact O-N 3.21Å; L308-Q311 VanDerWaalsContact O-N 3.07Å; S309-Q311 PolarHBondContact O-N 3.48Å; S309-Q311 VanDerWaalsContact O-N 3.13Å
312N61.8Low74.3Confident105 Ų10579.7 Ų79.756%0.56139%0.391SS*.  trans-11597.6-178.3-79.7-14.2000111.1L308 S309 S314L308-N312 PolarHBondContact O-N 3.25Å; S309-N312 CarbonylContact O-C 3.49Å; S309-N312 PolarHBondContact O-N 2.87Å; N312-S314 PolarHBondContact O-N 2.86Å; N312-S314 VanDerWaalsContact O-N 3.11Å
313K58.4Low74.6Confident198 Ų19876.9 Ų76.986%0.86138%0.38SS*.  trans-71.610177.1-74-174.8177.5178.50115N315K313-N315 PolarHBondContact O-N 2.67Å
314S58.6Low75Confident66 Ų6677.3 Ų77.346%0.46238%0.384SS..  trans-79.7118.8178.558.40000110.9N312 Q316N312-S314 PolarHBondContact O-N 2.86Å; N312-S314 VanDerWaalsContact O-N 3.11Å; S314-Q316 PolarHBondContact O-N 2.59Å
315N59.2Low75.5Confident168 Ų16876.3 Ų76.390%0.89838%0.38SS*.  trans-68.343.7179.3-75.2-10.7000114.5K313K313-N315 PolarHBondContact O-N 2.67Å
316Q64.7Low76Confident151 Ų15176.5 Ų76.571%0.70638%0.381SS*.  trans-83.1-17.2-176.9-167.1172.8-5.200113.5S314S314-Q316 PolarHBondContact O-N 2.59Å
317Y63.9Low76.6Confident74 Ų7476.1 Ų76.129%0.2938%0.382SS..  trans-116.3132.8-172.1-62.2-77.7000112.1A303 Q304A303-Y317 WeakPolarHBondContact O-CD1 3.29Å; Q304-Y317 HydrophobicContact CB-CD2 3.69Å; Q304-Y317 HydrophobicContact CB-CE2 4.39Å; Q304-Y317 HydrophobicContact CB-CG 3.81Å; Q304-Y317 HydrophobicContact CG-CD2 3.91Å; Q304-Y317 HydrophobicContact CG-CE2 4.28Å
318D69.3Low77.5Confident134 Ų13473 Ų7372%0.71737%0.368SS*.SBendtrans-80.4-18.1-178.1-62.8-37.9000112.9Y302Y302-D318 PolarHBondContact O-N 2.94Å
319L83.3Confident78.4Confident4 Ų470.9 Ų70.92%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-129.3125.6-172.7179.164.2000111.7N39 L42 F296 L299 A303 Q304 I321N39-L319 WeakPolarHBondContact OD1-CD1 3.37Å; L42-L319 HydrophobicContact CD1-CB 4.4Å; L42-L319 HydrophobicContact CD1-CD1 4.18Å; F296-L319 HydrophobicContact CD1-CD2 4.4Å; F296-L319 HydrophobicContact CE1-CD2 4.42Å; L299-L319 HydrophobicContact CB-CD2 3.71Å; L299-L319 HydrophobicContact CD1-CD2 4.04Å; L299-L319 HydrophobicContact CG-CD2 4.47Å; A303-L319 CarbonylContact C-O 3.57Å; A303-L319 WeakPolarHBondContact CA-O 3.39Å; A303-L319 HydrophobicContact CB-CB 4.18Å; A303-L319 HydrophobicContact CB-CD2 4.06Å; A303-L319 HydrophobicContact CB-CG 4.17Å; Q304-L319 PolarHBondContact N-O 3.17Å; L319-I321 HydrophobicContact CD1-CG2 3.98Å; L319-I321 HydrophobicContact CD2-CG2 3.95Å; L319-I321 HydrophobicContact CG-CG2 3.8Å
320I84.9Confident79.5Confident102 Ų10270.9 Ų70.952%0.52336%0.355SS..EExtended strand (participates in β ladder)trans-105.7118.1173.2-58.9175.2000108.8
321I89.4Confident80.8Confident3 Ų364.7 Ų64.72%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-130.9154179.956.3-178000111.2F296 A303 Q304 I305 S306 L319 T325 I326F296-I321 HydrophobicContact CD1-CG2 4.27Å; F296-I321 HydrophobicContact CE1-CG2 4.06Å; A303-I321 HydrophobicContact CB-CD1 3.55Å; A303-I321 HydrophobicContact CB-CG1 3.87Å; Q304-I321 PolarHBondContact O-N 3.46Å; I305-I321 CarbonylContact C-O 3.53Å; I305-I321 VanDerWaalsContact CA-O 3.27Å; I305-I321 WeakPolarHBondContact CA-O 3.29Å; S306-I321 PolarHBondContact N-O 3.14Å; L319-I321 HydrophobicContact CD1-CG2 3.98Å; L319-I321 HydrophobicContact CD2-CG2 3.95Å; L319-I321 HydrophobicContact CG-CG2 3.8Å; I321-T325 HydrophobicContact CB-CG2 4.16Å; I321-T325 HydrophobicContact CG2-CG2 4.14Å; I321-I326 HydrophobicContact CD1-CD1 4.13Å; I321-I326 HydrophobicContact CD1-CG1 3.54Å; I321-I326 HydrophobicContact CG1-CD1 4.16Å; I321-I326 HydrophobicContact CG1-CG1 4.01Å
322D91.1Very high82.4Confident18 Ų1858 Ų5810%0.09630%0.296CS..  trans-87.1165.9176.372.7100.6000112.3K29 G324 T325 I326K29-D322 VanDerWaalsContact CB-OD1 3.26Å; K29-D322 WeakPolarHBondContact CB-OD1 3.27Å; K29-D322 WeakPolarHBondContact CD-OD1 3.31Å; K29-D322 WeakPolarHBondContact CG-OD1 3.41Å; D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 2.92Å; D322-G324 VanDerWaalsContact OD1-CA 3.22Å; D322-G324 WeakPolarHBondContact OD1-CA 3.46Å; D322-G324 PolarHBondContact OD1-N 3.3Å; D322-T325 PolarHBondContact O-N 3.13Å; D322-T325 PolarHBondContact OD1-N 3.03Å; D322-T325 VanDerWaalsContact OD1-N 3.15Å; D322-T325 WeakPolarHBondContact OD2-CB 3.42Å; D322-T325 PolarHBondContact OD2-OG1 3.15Å; D322-I326 PolarHBondContact O-N 3.45Å
323R93.2Very high84Confident56 Ų5653.1 Ų53.121%0.21127%0.269CS..Hα-helixtrans-58.2-36.9178.8-62.8-179.5-178107.7-8113.5I305 E307 I326 G327 D559 L562I305-R323 HydrophobicContact CG2-CG 3.89Å; E307-R323 IonicContact OE1-CZ 3.02Å; E307-R323 IonicContact OE1-NH1 3.4Å; E307-R323 PolarHBondContact OE1-NH1 3.31Å; R323-I326 PolarHBondContact O-N 3.08Å; R323-G327 PolarHBondContact O-N 2.8Å; R323-D559 IonicContact CZ-OD1 3.69Å; R323-D559 IonicContact CZ-OD2 2.76Å; R323-D559 VanDerWaalsContact CZ-OD2 3.3Å; R323-D559 IonicContact NE-OD1 2.95Å; R323-D559 IonicContact NE-OD2 2.98Å; R323-D559 PolarHBondContact NE-OD2 3.02Å; R323-D559 IonicContact NH2-OD1 3.3Å; R323-D559 PolarHBondContact NH2-OD1 3.23Å; R323-D559 IonicContact NH2-OD2 3.83Å; R323-D559 PolarHBondContact NH2-OD2 3.11Å; R323-L562 HydrophobicContact CB-CD1 4.32Å
324G94.7Very high85.6Confident9 Ų945 Ų459%0.09324%0.237CC..Hα-helixtrans-66.1-42.2179.700000111.5S26 D322 I326 G327 A328S26-G324 VanDerWaalsContact CB-O 3.28Å; S26-G324 WeakPolarHBondContact CB-O 3.3Å; D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 2.92Å; D322-G324 VanDerWaalsContact OD1-CA 3.22Å; D322-G324 WeakPolarHBondContact OD1-CA 3.46Å; D322-G324 PolarHBondContact OD1-N 3.3Å; G324-I326 PolarHBondContact O-N 3.15Å; G324-G327 PolarHBondContact O-N 3.1Å; G324-A328 WeakPolarHBondContact O-CB 3.45Å; G324-A328 PolarHBondContact O-N 3.18Å
325T95.1Very high87.3Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-57.3-47.3173.8-66.60000111.5K29 L30 S33 F296 I321 D322 A328 S329K29-T325 PolarHBondContact O-OG1 3.37Å; L30-T325 HydrophobicContact CD1-CG2 3.88Å; L30-T325 PolarHBondContact N-OG1 3.04Å; S33-T325 PolarHBondContact OG-OG1 3.15Å; S33-T325 VanDerWaalsContact OG-OG1 3.05Å; F296-T325 HydrophobicContact CD1-CG2 4Å; F296-T325 HydrophobicContact CE1-CG2 4.32Å; F296-T325 HydrophobicContact CG-CG2 4.32Å; I321-T325 HydrophobicContact CB-CG2 4.16Å; I321-T325 HydrophobicContact CG2-CG2 4.14Å; D322-T325 PolarHBondContact O-N 3.13Å; D322-T325 PolarHBondContact OD1-N 3.03Å; D322-T325 VanDerWaalsContact OD1-N 3.15Å; D322-T325 WeakPolarHBondContact OD2-CB 3.42Å; D322-T325 PolarHBondContact OD2-OG1 3.15Å; T325-A328 PolarHBondContact O-N 2.94Å; T325-S329 WeakPolarHBondContact O-CB 3.39Å; T325-S329 PolarHBondContact O-N 3.23Å; T325-S329 PolarHBondContact O-OG 3.08Å
326I93.8Very high89.1Confident4 Ų435 Ų352%0.02118%0.178CC..Hα-helixtrans-60.7-49.1176.8-63.4158.5000111.1I300 I305 I321 D322 R323 G324 A328 S329 I330 L552 W555I300-I326 HydrophobicContact CD1-CG2 4.43Å; I305-I326 HydrophobicContact CD1-CD1 3.95Å; I305-I326 HydrophobicContact CG1-CD1 3.57Å; I321-I326 HydrophobicContact CD1-CD1 4.13Å; I321-I326 HydrophobicContact CD1-CG1 3.54Å; I321-I326 HydrophobicContact CG1-CD1 4.16Å; I321-I326 HydrophobicContact CG1-CG1 4.01Å; D322-I326 PolarHBondContact O-N 3.45Å; R323-I326 PolarHBondContact O-N 3.08Å; G324-I326 PolarHBondContact O-N 3.15Å; I326-A328 PolarHBondContact O-N 3.5Å; I326-S329 PolarHBondContact O-N 2.83Å; I326-I330 HydrophobicContact CG2-CD1 3.96Å; I326-I330 WeakPolarHBondContact O-CG1 3.43Å; I326-I330 PolarHBondContact O-N 3.41Å; I326-I330 VanDerWaalsContact O-N 3.1Å; I326-L552 HydrophobicContact CG2-CD2 3.69Å; I326-W555 HydrophobicContact CD1-CE3 3.7Å; I326-W555 HydrophobicContact CD1-CH2 3.79Å; I326-W555 HydrophobicContact CD1-CZ3 3.25Å; I326-W555 HydrophobicContact CG1-CE3 4.48Å; I326-W555 HydrophobicContact CG1-CH2 4.41Å; I326-W555 HydrophobicContact CG1-CZ3 3.77Å; I326-W555 HydrophobicContact CG2-CE3 4.32Å; I326-W555 HydrophobicContact CG2-CZ3 4.12Å
327G93.9Very high90.5Very high29 Ų2928.7 Ų28.730%0.29915%0.149SC..Hα-helixtrans-58.5-45.8179.800000112.4R323 G324 Y331R323-G327 PolarHBondContact O-N 2.8Å; G324-G327 PolarHBondContact O-N 3.1Å; G327-Y331 WeakPolarHBondContact O-CB 3.4Å; G327-Y331 PolarHBondContact O-N 3.11Å
328A96.3Very high92Very high1 Ų126.1 Ų26.11%0.00814%0.139CC..Hα-helixtrans-68.8-38177.600000113.2S26 I27 L30 G324 T325 I326 I330 Y331 L332S26-A328 WeakPolarHBondContact O-CB 3.48Å; I27-A328 HydrophobicContact CG1-CB 4.17Å; L30-A328 HydrophobicContact CB-CB 3.78Å; L30-A328 HydrophobicContact CD2-CB 3.89Å; L30-A328 HydrophobicContact CG-CB 4.46Å; G324-A328 WeakPolarHBondContact O-CB 3.45Å; G324-A328 PolarHBondContact O-N 3.18Å; T325-A328 PolarHBondContact O-N 2.94Å; I326-A328 PolarHBondContact O-N 3.5Å; A328-I330 PolarHBondContact O-N 2.85Å; A328-Y331 PolarHBondContact O-N 3.25Å; A328-L332 VanDerWaalsContact O-CB 3.25Å; A328-L332 WeakPolarHBondContact O-CB 3.46Å; A328-L332 WeakPolarHBondContact O-CG 3.37Å; A328-L332 PolarHBondContact O-N 2.72Å
329S95.4Very high93.2Very high1 Ų120 Ų201%0.00711%0.106CC..Hα-helixtrans-58.3-48.8174.8-68.10000111.1F296 T325 I326 R333F296-S329 WeakPolarHBondContact CB-OG 3.48Å; T325-S329 WeakPolarHBondContact O-CB 3.39Å; T325-S329 PolarHBondContact O-N 3.23Å; T325-S329 PolarHBondContact O-OG 3.08Å; I326-S329 PolarHBondContact O-N 2.83Å; S329-R333 WeakPolarHBondContact O-CB 3.29Å; S329-R333 PolarHBondContact O-N 2.89Å
330I94.1Very high93.8Very high25 Ų2519.8 Ų19.813%0.12811%0.105CC..Hα-helixtrans-66.6-45.4178.8-59.3163.4000111.3I300 I326 A328 R333 T334 V536 F544 L552I300-I330 HydrophobicContact CD1-CG1 4.47Å; I326-I330 HydrophobicContact CG2-CD1 3.96Å; I326-I330 WeakPolarHBondContact O-CG1 3.43Å; I326-I330 PolarHBondContact O-N 3.41Å; I326-I330 VanDerWaalsContact O-N 3.1Å; A328-I330 PolarHBondContact O-N 2.85Å; I330-R333 PolarHBondContact O-N 2.63Å; I330-T334 PolarHBondContact O-N 2.89Å; I330-T334 PolarHBondContact O-OG1 3.29Å; I330-V536 HydrophobicContact CG2-CG1 3.78Å; I330-F544 HydrophobicContact CG1-CE2 4.41Å; I330-L552 HydrophobicContact CD1-CD1 3.64Å; I330-L552 HydrophobicContact CD1-CD2 3.57Å; I330-L552 HydrophobicContact CD1-CG 4.21Å; I330-L552 HydrophobicContact CG1-CD1 4.02Å; I330-L552 HydrophobicContact CG1-CD2 4.46Å
331Y94.5Very high94.3Very high53 Ų5316.7 Ų16.721%0.2089%0.087CC..Hα-helixtrans-60.8-52-179.3174.7-100.1000111.8P23 I27 G327 A328 T334 L335 L409 Y569P23-Y331 HydrophobicContact CB-CE1 4.21Å; I27-Y331 HydrophobicContact CD1-CE1 4.4Å; G327-Y331 WeakPolarHBondContact O-CB 3.4Å; G327-Y331 PolarHBondContact O-N 3.11Å; A328-Y331 PolarHBondContact O-N 3.25Å; Y331-T334 WeakPolarHBondContact O-CB 3.36Å; Y331-T334 PolarHBondContact O-N 2.85Å; Y331-L335 HydrophobicContact CD1-CD1 4.37Å; Y331-L335 HydrophobicContact CE1-CD1 3.76Å; Y331-L335 PolarHBondContact O-N 2.97Å; Y331-L409 HydrophobicContact CD2-CD2 4.22Å; Y331-L409 HydrophobicContact CE2-CD1 3.82Å; Y331-L409 HydrophobicContact CE2-CD2 3.56Å; Y331-L409 HydrophobicContact CE2-CG 4.34Å; Y331-L409 WeakPolarHBondContact OH-CD1 3.47Å; Y331-Y569 WeakPolarHBondContact CE2-OH 3.28Å
332L96Very high94.6Very high16 Ų1617.5 Ų17.58%0.0849%0.092CC..Hα-helixtrans-70.4-32.9179.4-66.5-179.5000111.9I27 L30 W284 V291 P293 A328 T334 L335 H336I27-L332 HydrophobicContact CD1-CD2 4.12Å; I27-L332 HydrophobicContact CG1-CD1 4.2Å; I27-L332 HydrophobicContact CG1-CD2 4.38Å; I27-L332 HydrophobicContact CG1-CG 4.37Å; L30-L332 HydrophobicContact CD2-CD1 3.75Å; W284-L332 HydrophobicContact CH2-CD2 4.09Å; W284-L332 WeakPolarHBondContact CZ2-O 3.28Å; V291-L332 HydrophobicContact CG2-CD1 3.83Å; P293-L332 HydrophobicContact CB-CB 3.62Å; P293-L332 HydrophobicContact CB-CD1 4.15Å; P293-L332 HydrophobicContact CG-CB 3.86Å; P293-L332 HydrophobicContact CG-CD1 4.23Å; A328-L332 VanDerWaalsContact O-CB 3.25Å; A328-L332 WeakPolarHBondContact O-CB 3.46Å; A328-L332 WeakPolarHBondContact O-CG 3.37Å; A328-L332 PolarHBondContact O-N 2.72Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.94Å; L332-L335 HydrophobicContact CD2-CD1 4.38Å; L332-L335 PolarHBondContact O-N 3.31Å; L332-H336 VanDerWaalsContact O-CB 3.31Å; L332-H336 WeakPolarHBondContact O-CB 3.45Å; L332-H336 PolarHBondContact O-N 3.18Å
333R93.5Very high94.8Very high3 Ų316.7 Ų16.71%0.0119%0.087CC..Hα-helixtrans-60-42.5172.1-173.279.6166.7109.312.6112E62 N294 Y298 S329 I330 L335 H336 L337 L543 F544E62-R333 IonicContact OE2-CZ 3.64Å; E62-R333 IonicContact OE2-NH1 3.32Å; E62-R333 PolarHBondContact OE2-NH1 3.24Å; E62-R333 IonicContact OE2-NH2 3.94Å; E62-R333 PolarHBondContact OE2-NH2 3.39Å; N294-R333 WeakPolarHBondContact OD1-CD 3.47Å; N294-R333 PolarHBondContact OD1-NH1 3.28Å; Y298-R333 PolarHBondContact OH-NH2 3.37Å; S329-R333 WeakPolarHBondContact O-CB 3.29Å; S329-R333 PolarHBondContact O-N 2.89Å; I330-R333 PolarHBondContact O-N 2.63Å; R333-L335 VanDerWaalsContact C-N 3.34Å; R333-L335 PolarHBondContact O-N 2.8Å; R333-H336 VanDerWaalsContact O-CB 3.27Å; R333-H336 WeakPolarHBondContact O-CB 3.47Å; R333-H336 PolarHBondContact O-N 3.35Å; R333-H336 VanDerWaalsContact O-N 3.13Å; R333-L337 PolarHBondContact O-N 3.05Å; R333-L543 PolarHBondContact NH2-O 2.73Å; R333-F544 HydrophobicContact CB-CE1 3.98Å; R333-F544 HydrophobicContact CB-CZ 3.6Å; R333-F544 HydrophobicContact CG-CD1 4.45Å; R333-F544 HydrophobicContact CG-CE1 3.44Å; R333-F544 VanDerWaalsContact CG-CE1 3.44Å; R333-F544 HydrophobicContact CG-CE2 4.33Å; R333-F544 HydrophobicContact CG-CZ 3.39Å
334T92.8Very high94.9Very high29 Ų2914.3 Ų14.318%0.1788%0.078CC..Hα-helixtrans-62.1-45178.1-57.20000110.3I330 Y331 L332 H336 L337 F338 L408I330-T334 PolarHBondContact O-N 2.89Å; I330-T334 PolarHBondContact O-OG1 3.29Å; Y331-T334 WeakPolarHBondContact O-CB 3.36Å; Y331-T334 PolarHBondContact O-N 2.85Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.94Å; T334-H336 VanDerWaalsContact C-N 3.32Å; T334-H336 PolarHBondContact O-N 3.29Å; T334-L337 PolarHBondContact O-N 2.88Å; T334-F338 PolarHBondContact O-N 2.93Å; T334-L408 HydrophobicContact CG2-CB 4.2Å; T334-L408 HydrophobicContact CG2-CD1 3.7Å; T334-L408 VanDerWaalsContact O-CD1 3.22Å; T334-L408 WeakPolarHBondContact O-CD1 3.38Å
335L94.6Very high94.9Very high23 Ų2314.1 Ų14.112%0.128%0.075CC..Hα-helixtrans-64-35.8172.5-73.9177.6000112.9W284 Y331 L332 R333 L337 F338 I339 L409W284-L335 HydrophobicContact CH2-CB 3.52Å; W284-L335 HydrophobicContact CH2-CD1 4.29Å; W284-L335 HydrophobicContact CZ2-CB 4.06Å; W284-L335 HydrophobicContact CZ3-CB 4.22Å; Y331-L335 HydrophobicContact CD1-CD1 4.37Å; Y331-L335 HydrophobicContact CE1-CD1 3.76Å; Y331-L335 PolarHBondContact O-N 2.97Å; L332-L335 HydrophobicContact CD2-CD1 4.38Å; L332-L335 PolarHBondContact O-N 3.31Å; R333-L335 VanDerWaalsContact C-N 3.34Å; R333-L335 PolarHBondContact O-N 2.8Å; L335-L337 PolarHBondContact O-N 2.87Å; L335-F338 WeakPolarHBondContact O-CB 3.41Å; L335-F338 PolarHBondContact O-N 3.2Å; L335-F338 VanDerWaalsContact O-N 3.15Å; L335-I339 WeakPolarHBondContact O-CG1 3.34Å; L335-I339 PolarHBondContact O-N 3.5Å; L335-L409 HydrophobicContact CD1-CD1 4.14Å; L335-L409 HydrophobicContact CD2-CD1 3.71Å; L335-L409 HydrophobicContact CD2-CG 3.79Å; L335-L409 HydrophobicContact CG-CD1 4.24Å; L335-L409 HydrophobicContact CG-CG 4.49Å
336H95.8Very high94.9Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-59.9-45.7178.1-167.5103.6000111.1W65 W284 L288 N294 L332 R333 T334 F338 I339 I340W65-H336 WeakPolarHBondContact CB-NE2 3.38Å; W65-H336 AromaticContact CD2-CE1 3.98Å; W65-H336 AromaticContact CG-CE1 3.83Å; W65-H336 AromaticContact CG-NE2 3.82Å; W284-H336 AromaticContact CD1-ND1 3.85Å; W284-H336 AromaticContact CE2-ND1 3.82Å; W284-H336 VanDerWaalsContact CZ2-CA 3.49Å; W284-H336 HydrophobicContact CZ2-CB 3.7Å; W284-H336 AromaticContact NE1-CE1 3.67Å; W284-H336 AromaticContact NE1-CG 3.41Å; W284-H336 AromaticContact NE1-ND1 2.92Å; W284-H336 PolarHBondContact NE1-ND1 3.39Å; L288-H336 WeakPolarHBondContact CD1-CE1 3.42Å; N294-H336 PolarHBondContact ND2-CE1 3.28Å; N294-H336 PolarHBondContact ND2-ND1 3.18Å; L332-H336 VanDerWaalsContact O-CB 3.31Å; L332-H336 WeakPolarHBondContact O-CB 3.45Å; L332-H336 PolarHBondContact O-N 3.18Å; R333-H336 VanDerWaalsContact O-CB 3.27Å; R333-H336 WeakPolarHBondContact O-CB 3.47Å; R333-H336 PolarHBondContact O-N 3.35Å; R333-H336 VanDerWaalsContact O-N 3.13Å; T334-H336 VanDerWaalsContact C-N 3.32Å; T334-H336 PolarHBondContact O-N 3.29Å; H336-F338 VanDerWaalsContact C-N 3.31Å; H336-F338 PolarHBondContact O-N 3.3Å; H336-I339 PolarHBondContact O-N 3.17Å; H336-I340 WeakPolarHBondContact CD2-CD1 3.37Å; H336-I340 WeakPolarHBondContact NE2-CD1 3.36Å; H336-I340 WeakPolarHBondContact O-CG1 3.45Å; H336-I340 PolarHBondContact O-N 3.17Å
337L94.5Very high95Very high18 Ų1815 Ų159%0.0948%0.079CC..Hα-helixtrans-56.8-46.3173.8-177.674.7000111.1R333 T334 L335 I339 I340 Y341 F421 L543R333-L337 PolarHBondContact O-N 3.05Å; T334-L337 PolarHBondContact O-N 2.88Å; L335-L337 PolarHBondContact O-N 2.87Å; L337-I339 PolarHBondContact O-N 3.11Å; L337-I340 PolarHBondContact O-N 2.94Å; L337-Y341 HydrophobicContact CD1-CD2 3.87Å; L337-Y341 HydrophobicContact CD1-CE2 3.61Å; L337-Y341 HydrophobicContact CG-CD2 4.25Å; L337-Y341 HydrophobicContact CG-CE2 4.43Å; L337-Y341 WeakPolarHBondContact O-CD2 3.28Å; L337-Y341 PolarHBondContact O-N 3.25Å; L337-F421 HydrophobicContact CD2-CE1 4.4Å; L337-F421 HydrophobicContact CD2-CE2 4.47Å; L337-F421 HydrophobicContact CD2-CZ 3.82Å; L337-F421 HydrophobicContact CG-CZ 3.97Å; L337-L543 HydrophobicContact CB-CD2 4.23Å; L337-L543 HydrophobicContact CD1-CD2 4.24Å; L337-L543 HydrophobicContact CD2-CD2 3.94Å; L337-L543 HydrophobicContact CG-CD2 4.34Å
338F95.2Very high95.1Very high21 Ų2113.7 Ų13.79%0.0927%0.065CC..Hα-helixtrans-58.9-45.3177.2163.2-103.6000112.4T334 L335 H336 Y341 L342 P405 A406 C407 L408T334-F338 PolarHBondContact O-N 2.93Å; L335-F338 WeakPolarHBondContact O-CB 3.41Å; L335-F338 PolarHBondContact O-N 3.2Å; L335-F338 VanDerWaalsContact O-N 3.15Å; H336-F338 VanDerWaalsContact C-N 3.31Å; H336-F338 PolarHBondContact O-N 3.3Å; F338-Y341 PolarHBondContact O-N 3.41Å; F338-L342 HydrophobicContact CE1-CD2 4.15Å; F338-L342 HydrophobicContact CZ-CD2 3.99Å; F338-L342 WeakPolarHBondContact O-CB 3.38Å; F338-L342 PolarHBondContact O-N 2.9Å; F338-P405 HydrophobicContact CD2-CB 4.17Å; F338-P405 HydrophobicContact CD2-CG 4.21Å; F338-P405 HydrophobicContact CE2-CB 4.31Å; F338-P405 HydrophobicContact CE2-CG 4.27Å; F338-P405 WeakPolarHBondContact CE2-O 3.48Å; F338-A406 WeakPolarHBondContact CD2-O 3.37Å; F338-C407 HydrophobicContact CE2-CB 4.45Å; F338-C407 HydrophobicContact CZ-CB 4.25Å; F338-L408 HydrophobicContact CB-CD1 3.83Å; F338-L408 HydrophobicContact CB-CG 4.28Å
339I95.9Very high95Very high5 Ų514.9 Ų14.93%0.0267%0.069CC..Hα-helixtrans-65.4-40.1-179.2-64.2-64000111.7W65 W280 W284 L335 H336 L337 L342 Q343W65-I339 HydrophobicContact CZ3-CG2 4.08Å; W280-I339 HydrophobicContact CB-CD1 4.43Å; W280-I339 HydrophobicContact CD2-CD1 4.42Å; W280-I339 HydrophobicContact CE3-CD1 4.22Å; W284-I339 HydrophobicContact CB-CG1 4.5Å; W284-I339 HydrophobicContact CB-CG2 3.89Å; W284-I339 HydrophobicContact CD2-CB 4.41Å; W284-I339 HydrophobicContact CD2-CG1 3.87Å; W284-I339 HydrophobicContact CE3-CG1 4.16Å; W284-I339 HydrophobicContact CG-CB 4.14Å; W284-I339 HydrophobicContact CG-CG1 4.02Å; W284-I339 HydrophobicContact CG-CG2 3.82Å; L335-I339 WeakPolarHBondContact O-CG1 3.34Å; L335-I339 PolarHBondContact O-N 3.5Å; H336-I339 PolarHBondContact O-N 3.17Å; L337-I339 PolarHBondContact O-N 3.11Å; I339-L342 HydrophobicContact CD1-CD2 4.4Å; I339-L342 WeakPolarHBondContact O-CB 3.45Å; I339-L342 PolarHBondContact O-N 2.92Å; I339-Q343 WeakPolarHBondContact O-CG 3.33Å; I339-Q343 PolarHBondContact O-N 3.29Å
340I95.4Very high95Very high0 Ų015.4 Ų15.40%07%0.072CC..Hα-helixtrans-57.2-55.2175.4-71.7169.3000110.6E62 Q64 W65 H336 L337 L342 Q343 F344E62-I340 HydrophobicContact CG-CD1 3.69Å; Q64-I340 HydrophobicContact CB-CD1 3.96Å; Q64-I340 HydrophobicContact CB-CG2 4.16Å; W65-I340 HydrophobicContact CB-CD1 4.26Å; W65-I340 HydrophobicContact CE3-CG1 3.91Å; H336-I340 WeakPolarHBondContact CD2-CD1 3.37Å; H336-I340 WeakPolarHBondContact NE2-CD1 3.36Å; H336-I340 WeakPolarHBondContact O-CG1 3.45Å; H336-I340 PolarHBondContact O-N 3.17Å; L337-I340 PolarHBondContact O-N 2.94Å; I340-L342 VanDerWaalsContact C-N 3.28Å; I340-L342 PolarHBondContact O-N 3.19Å; I340-Q343 WeakPolarHBondContact O-CB 3.37Å; I340-Q343 PolarHBondContact O-N 3Å; I340-F344 HydrophobicContact CG2-CD2 3.53Å; I340-F344 HydrophobicContact CG2-CE2 3.29Å; I340-F344 HydrophobicContact CG2-CZ 4.23Å; I340-F344 PolarHBondContact O-N 2.84Å
341Y95.2Very high95.1Very high37 Ų3714.5 Ų14.515%0.1457%0.067CC..Hα-helixtrans-71.4-25.1-176.9-80.8-95.5000112.6L337 F338 Q343 Y345 F421L337-Y341 HydrophobicContact CD1-CD2 3.87Å; L337-Y341 HydrophobicContact CD1-CE2 3.61Å; L337-Y341 HydrophobicContact CG-CD2 4.25Å; L337-Y341 HydrophobicContact CG-CE2 4.43Å; L337-Y341 WeakPolarHBondContact O-CD2 3.28Å; L337-Y341 PolarHBondContact O-N 3.25Å; F338-Y341 PolarHBondContact O-N 3.41Å; Y341-Q343 PolarHBondContact O-N 3.11Å; Y341-Y345 HydrophobicContact CD1-CD2 4.48Å; Y341-Y345 HydrophobicContact CD1-CE1 4.06Å; Y341-Y345 AromaticContact CD1-CE2 3.86Å; Y341-Y345 HydrophobicContact CD1-CE2 3.86Å; Y341-Y345 AromaticContact CD1-CZ 3.62Å; Y341-Y345 HydrophobicContact CE1-CE1 4.44Å; Y341-Y345 AromaticContact CE1-CZ 3.97Å; Y341-Y345 WeakPolarHBondContact O-CB 3.1Å; Y341-Y345 PolarHBondContact O-N 3.39Å; Y341-F421 HydrophobicContact CD2-CZ 4.23Å; Y341-F421 HydrophobicContact CG-CE1 4.46Å; Y341-F421 HydrophobicContact CG-CZ 4.17Å
342L95.7Very high95Very high20 Ų2012 Ų1211%0.1056%0.058CC..Hα-helixtrans-61.4-35.7168.6-177.164.7000111.2L277 W280 F338 I339 I340 G346 P404 P405L277-L342 HydrophobicContact CD2-CD1 4.02Å; L277-L342 HydrophobicContact CD2-CD2 4.2Å; L277-L342 HydrophobicContact CD2-CG 3.66Å; W280-L342 HydrophobicContact CG-CD2 4.35Å; F338-L342 HydrophobicContact CE1-CD2 4.15Å; F338-L342 HydrophobicContact CZ-CD2 3.99Å; F338-L342 WeakPolarHBondContact O-CB 3.38Å; F338-L342 PolarHBondContact O-N 2.9Å; I339-L342 HydrophobicContact CD1-CD2 4.4Å; I339-L342 WeakPolarHBondContact O-CB 3.45Å; I339-L342 PolarHBondContact O-N 2.92Å; I340-L342 VanDerWaalsContact C-N 3.28Å; I340-L342 PolarHBondContact O-N 3.19Å; L342-G346 WeakPolarHBondContact O-CA 3.2Å; L342-G346 PolarHBondContact O-N 3.22Å; L342-P404 HydrophobicContact CD1-CB 3.97Å; L342-P405 HydrophobicContact CB-CG 4.45Å
343Q95.9Very high94.9Very high0 Ų011.5 Ų11.50%06%0.055CC..Hα-helixtrans-73.9-55173.5-60-60.5-37.600111.1L68 W71 L277 I339 I340 Y341 Y345 G346 W347L68-Q343 HydrophobicContact CD1-CB 3.62Å; L68-Q343 HydrophobicContact CD1-CG 4.13Å; L68-Q343 HydrophobicContact CD2-CB 4.37Å; L68-Q343 HydrophobicContact CD2-CG 3.96Å; W71-Q343 VanDerWaalsContact CH2-O 3.24Å; W71-Q343 WeakPolarHBondContact CH2-O 3.44Å; L277-Q343 PolarHBondContact O-NE2 2.92Å; I339-Q343 WeakPolarHBondContact O-CG 3.33Å; I339-Q343 PolarHBondContact O-N 3.29Å; I340-Q343 WeakPolarHBondContact O-CB 3.37Å; I340-Q343 PolarHBondContact O-N 3Å; Y341-Q343 PolarHBondContact O-N 3.11Å; Q343-Y345 PolarHBondContact O-N 3.36Å; Q343-G346 PolarHBondContact O-N 3.32Å; Q343-W347 PolarHBondContact O-N 3.29Å
344F94.6Very high95Very high6 Ų613.7 Ų13.73%0.0267%0.065CC..Hα-helixtrans-57.2-35.6-176.9-70.8-37.3000113.2L68 W71 L232 I340 P348L68-F344 HydrophobicContact CD1-CD1 4.37Å; L68-F344 HydrophobicContact CD1-CE1 4.01Å; W71-F344 HydrophobicContact CB-CE1 3.91Å; W71-F344 AromaticContact CD2-CD1 3.6Å; W71-F344 HydrophobicContact CD2-CD1 3.6Å; W71-F344 AromaticContact CD2-CE1 3.83Å; W71-F344 HydrophobicContact CD2-CE1 3.83Å; W71-F344 AromaticContact CE2-CD1 3.76Å; W71-F344 AromaticContact CE3-CD1 3.86Å; W71-F344 HydrophobicContact CE3-CD1 3.86Å; W71-F344 HydrophobicContact CE3-CE1 4.15Å; W71-F344 AromaticContact CG-CD1 3.93Å; W71-F344 HydrophobicContact CG-CD1 3.93Å; W71-F344 AromaticContact CG-CE1 3.71Å; W71-F344 HydrophobicContact CG-CE1 3.71Å; W71-F344 HydrophobicContact CH2-CD1 4.27Å; W71-F344 HydrophobicContact CZ2-CD1 4.11Å; W71-F344 WeakPolarHBondContact CZ2-O 3.42Å; W71-F344 HydrophobicContact CZ3-CD1 4.19Å; L232-F344 HydrophobicContact CB-CD1 4.29Å; L232-F344 HydrophobicContact CB-CG 4.37Å; L232-F344 HydrophobicContact CD1-CD1 4.27Å; L232-F344 HydrophobicContact CD1-CE1 3.9Å; L232-F344 HydrophobicContact CD1-CE2 4.48Å; L232-F344 HydrophobicContact CD1-CZ 4.02Å; I340-F344 HydrophobicContact CG2-CD2 3.53Å; I340-F344 HydrophobicContact CG2-CE2 3.29Å; I340-F344 HydrophobicContact CG2-CZ 4.23Å; I340-F344 PolarHBondContact O-N 2.84Å; F344-P348 WeakPolarHBondContact O-CD 3.43Å; F344-P348 WeakPolarHBondContact O-CG 3.46Å
345Y95.5Very high95Very high5 Ų512.3 Ų12.32%0.026%0.056CC..Hα-helixtrans-96.5-25.8178.2-60.7-7.6000113.6Y179 P234 Y341 Q343 Y349 D422Y179-Y345 PolarHBondContact OH-OH 2.94Å; Y179-Y345 VanDerWaalsContact OH-OH 3.04Å; P234-Y345 HydrophobicContact CB-CD1 4.02Å; P234-Y345 HydrophobicContact CB-CD2 4.14Å; P234-Y345 HydrophobicContact CB-CE1 4.35Å; P234-Y345 HydrophobicContact CB-CE2 4.46Å; P234-Y345 HydrophobicContact CB-CG 3.92Å; P234-Y345 HydrophobicContact CG-CD1 4.31Å; P234-Y345 HydrophobicContact CG-CG 4.23Å; Y341-Y345 HydrophobicContact CD1-CD2 4.48Å; Y341-Y345 HydrophobicContact CD1-CE1 4.06Å; Y341-Y345 AromaticContact CD1-CE2 3.86Å; Y341-Y345 HydrophobicContact CD1-CE2 3.86Å; Y341-Y345 AromaticContact CD1-CZ 3.62Å; Y341-Y345 HydrophobicContact CE1-CE1 4.44Å; Y341-Y345 AromaticContact CE1-CZ 3.97Å; Y341-Y345 WeakPolarHBondContact O-CB 3.1Å; Y341-Y345 PolarHBondContact O-N 3.39Å; Q343-Y345 PolarHBondContact O-N 3.36Å; Y345-Y349 VanDerWaalsContact O-CB 3.28Å; Y345-Y349 WeakPolarHBondContact O-CB 3.43Å; Y345-Y349 PolarHBondContact O-N 3.42Å; Y345-D422 PolarHBondContact OH-OD2 3.3Å
346G95.4Very high94.9Very high2 Ų211.2 Ų11.22%0.0215%0.05CC..Hα-helixtrans-65-49.4-179.400000113.5L277 L342 Q343 Y349 I350L277-G346 VanDerWaalsContact CD1-C 3.5Å; L342-G346 WeakPolarHBondContact O-CA 3.2Å; L342-G346 PolarHBondContact O-N 3.22Å; Q343-G346 PolarHBondContact O-N 3.32Å; G346-Y349 PolarHBondContact O-N 2.94Å; G346-I350 WeakPolarHBondContact O-CG1 3.31Å; G346-I350 PolarHBondContact O-N 3.08Å
347W95.8Very high94.8Very high22 Ų2211.8 Ų11.88%0.0835%0.054CC..Hα-helixtrans-66.9-48.1-177.9-67.797.4000112.9W71 M72 V75 A274 L277 I278 Q343 Y349 I350 L351W71-W347 HydrophobicContact CH2-CB 3.76Å; W71-W347 AromaticContact CH2-CD1 3.99Å; W71-W347 HydrophobicContact CH2-CG 4.22Å; W71-W347 HydrophobicContact CZ3-CB 4.18Å; W71-W347 AromaticContact CZ3-CD1 3.64Å; W71-W347 HydrophobicContact CZ3-CG 4.17Å; M72-W347 HydrophobicContact CE-CD2 4.34Å; M72-W347 VanDerWaalsContact CE-CE2 3.49Å; M72-W347 HydrophobicContact CE-CZ2 3.65Å; M72-W347 VanDerWaalsContact CE-NE1 3.35Å; M72-W347 VanDerWaalsContact SD-CD1 3.59Å; M72-W347 HydrophobicContact SD-CG 4.39Å; M72-W347 PolarHBondContact SD-NE1 3.02Å; V75-W347 HydrophobicContact CG1-CD2 4.08Å; V75-W347 HydrophobicContact CG1-CE3 3.58Å; V75-W347 HydrophobicContact CG1-CZ3 3.84Å; V75-W347 HydrophobicContact CG2-CB 4.13Å; V75-W347 HydrophobicContact CG2-CD2 4.09Å; V75-W347 HydrophobicContact CG2-CE3 4.41Å; V75-W347 HydrophobicContact CG2-CG 3.97Å; A274-W347 HydrophobicContact CB-CH2 4.46Å; A274-W347 HydrophobicContact CB-CZ3 4.32Å; L277-W347 HydrophobicContact CB-CZ2 4.19Å; L277-W347 HydrophobicContact CD1-CD2 4.11Å; L277-W347 HydrophobicContact CD1-CG 4.13Å; I278-W347 HydrophobicContact CD1-CH2 4.09Å; I278-W347 HydrophobicContact CD1-CZ2 4.47Å; I278-W347 HydrophobicContact CG1-CH2 3.89Å; I278-W347 HydrophobicContact CG1-CZ2 3.78Å; Q343-W347 PolarHBondContact O-N 3.29Å; W347-Y349 VanDerWaalsContact C-N 3.25Å; W347-Y349 PolarHBondContact O-N 3.27Å; W347-I350 PolarHBondContact O-N 3.18Å; W347-I350 VanDerWaalsContact O-N 3.11Å; W347-L351 WeakPolarHBondContact O-CB 2.82Å; W347-L351 VanDerWaalsContact O-CG 3.31Å; W347-L351 WeakPolarHBondContact O-CG 3.43Å; W347-L351 PolarHBondContact O-N 3.41Å
348P95Very high94.7Very high1 Ų112.3 Ų12.31%0.0066%0.056CC..Hα-helixtrans-55.1-40172.6-33.340.6000113.7W71 H228 F344 S352 M401W71-P348 HydrophobicContact CH2-CG 4.36Å; W71-P348 HydrophobicContact CZ2-CG 4.01Å; H228-P348 HydrophobicContact CB-CB 4.29Å; H228-P348 WeakPolarHBondContact O-CB 3.32Å; H228-P348 VanDerWaalsContact O-CG 3.22Å; H228-P348 WeakPolarHBondContact O-CG 3.29Å; F344-P348 WeakPolarHBondContact O-CD 3.43Å; F344-P348 WeakPolarHBondContact O-CG 3.46Å; P348-S352 VanDerWaalsContact O-CB 3.3Å; P348-S352 WeakPolarHBondContact O-CB 3.4Å; P348-S352 PolarHBondContact O-N 3.31Å; P348-S352 PolarHBondContact O-OG 3.13Å; P348-M401 HydrophobicContact CB-CE 3.35Å
349Y94.8Very high94.6Very high25 Ų2511.3 Ų11.310%0.0985%0.052CC..Hα-helixtrans-61.8-49.6174.3175-88.3000111.3K273 Y345 G346 W347 S352 N353 M401 P402 E403 P404K273-Y349 HydrophobicContact CD-CE1 4.17Å; K273-Y349 PolarHBondContact NZ-OH 2.98Å; Y345-Y349 VanDerWaalsContact O-CB 3.28Å; Y345-Y349 WeakPolarHBondContact O-CB 3.43Å; Y345-Y349 PolarHBondContact O-N 3.42Å; G346-Y349 PolarHBondContact O-N 2.94Å; W347-Y349 VanDerWaalsContact C-N 3.25Å; W347-Y349 PolarHBondContact O-N 3.27Å; Y349-S352 PolarHBondContact O-OG 2.96Å; Y349-N353 WeakPolarHBondContact CE2-ND2 3.39Å; Y349-N353 WeakPolarHBondContact O-CB 3.44Å; Y349-N353 PolarHBondContact O-N 3.36Å; Y349-N353 PolarHBondContact O-ND2 2.96Å; Y349-M401 HydrophobicContact CD2-CB 4.24Å; Y349-P402 WeakPolarHBondContact CD2-O 3.45Å; Y349-E403 HydrophobicContact CE2-CG 4.15Å; Y349-P404 HydrophobicContact CD1-CG 4.34Å; Y349-P404 HydrophobicContact CG-CG 4.12Å
350I95.2Very high94.3Very high12 Ų1211.5 Ų11.56%0.0625%0.053CC..Hα-helixtrans-63.7-47.3-178.8-68.1169.7000111.4L270 K273 A274 L277 G346 W347 N353 F354L270-I350 HydrophobicContact CD2-CG2 4.47Å; K273-I350 HydrophobicContact CB-CD1 3.85Å; K273-I350 HydrophobicContact CB-CG1 4.11Å; A274-I350 HydrophobicContact CB-CD1 4.04Å; A274-I350 HydrophobicContact CB-CG2 4.39Å; L277-I350 HydrophobicContact CD1-CD1 3.46Å; L277-I350 VanDerWaalsContact CD1-CD1 3.46Å; L277-I350 HydrophobicContact CG-CD1 4.14Å; G346-I350 WeakPolarHBondContact O-CG1 3.31Å; G346-I350 PolarHBondContact O-N 3.08Å; W347-I350 PolarHBondContact O-N 3.18Å; W347-I350 VanDerWaalsContact O-N 3.11Å; I350-N353 PolarHBondContact O-N 3.28Å; I350-F354 WeakPolarHBondContact O-CB 3.21Å; I350-F354 PolarHBondContact O-N 3.18Å
351L95.4Very high94.1Very high7 Ų715.1 Ų15.14%0.0377%0.069CC..Hα-helixtrans-68.9-41-174.3-66.3176.9000112.6V75 L78 L79 S82 W347 F354 E355V75-L351 HydrophobicContact CG1-CD1 4.34Å; L78-L351 HydrophobicContact CB-CD1 3.57Å; L78-L351 HydrophobicContact CD1-CD1 4.29Å; L79-L351 HydrophobicContact CB-CD2 3.92Å; L79-L351 HydrophobicContact CD1-CD2 3.87Å; L79-L351 HydrophobicContact CG-CD2 4.48Å; S82-L351 PolarHBondContact OG-O 3.13Å; W347-L351 WeakPolarHBondContact O-CB 2.82Å; W347-L351 VanDerWaalsContact O-CG 3.31Å; W347-L351 WeakPolarHBondContact O-CG 3.43Å; W347-L351 PolarHBondContact O-N 3.41Å; L351-F354 WeakPolarHBondContact O-CB 3.41Å; L351-F354 PolarHBondContact O-N 2.86Å; L351-E355 PolarHBondContact O-N 2.75Å
352S93.8Very high93.9Very high0 Ų014.8 Ų14.80%07%0.069CC..Hα-helixtrans-65.5-39.5174.457.60000112.3Y226 P348 Y349 F354 E355 C356Y226-S352 WeakPolarHBondContact OH-CB 3.49Å; P348-S352 VanDerWaalsContact O-CB 3.3Å; P348-S352 WeakPolarHBondContact O-CB 3.4Å; P348-S352 PolarHBondContact O-N 3.31Å; P348-S352 PolarHBondContact O-OG 3.13Å; Y349-S352 PolarHBondContact O-OG 2.96Å; S352-F354 VanDerWaalsContact C-N 3.3Å; S352-F354 PolarHBondContact O-N 2.67Å; S352-E355 WeakPolarHBondContact O-CB 3.37Å; S352-E355 PolarHBondContact O-N 3.46Å; S352-C356 PolarHBondContact O-N 3.25Å; S352-C356 VanDerWaalsContact O-N 3.11Å; S352-C356 PolarHBondContact O-SG 2.92Å
353N93.1Very high93.5Very high6 Ų615.3 Ų15.33%0.0327%0.071CC..Hα-helixtrans-65.3-35.4172.6-81.3-74.1000112L270 Y349 I350 C356 L357 V398 S399L270-N353 HydrophobicContact CD1-CB 4.02Å; L270-N353 HydrophobicContact CD2-CB 3.64Å; L270-N353 HydrophobicContact CG-CB 4.48Å; Y349-N353 WeakPolarHBondContact CE2-ND2 3.39Å; Y349-N353 WeakPolarHBondContact O-CB 3.44Å; Y349-N353 PolarHBondContact O-N 3.36Å; Y349-N353 PolarHBondContact O-ND2 2.96Å; I350-N353 PolarHBondContact O-N 3.28Å; N353-C356 PolarHBondContact O-N 2.94Å; N353-L357 WeakPolarHBondContact O-CB 3.26Å; N353-L357 PolarHBondContact O-N 3.28Å; N353-V398 HydrophobicContact CB-CG1 4.11Å; N353-V398 WeakPolarHBondContact OD1-CB 3.33Å; N353-V398 WeakPolarHBondContact OD1-CG1 3.27Å; N353-V398 PolarHBondContact OD1-O 3.41Å; N353-S399 PolarHBondContact ND2-OG 3.45Å; N353-S399 WeakPolarHBondContact OD1-CB 3.35Å; N353-S399 PolarHBondContact OD1-N 3.15Å; N353-S399 PolarHBondContact OD1-OG 3.18Å
354F95Very high93.1Very high48 Ų4817 Ų1721%0.2118%0.079CC..Hα-helixtrans-66.5-42.1176-179.7-103.2000111.9L79 I83 L267 L270 I350 L351 S352 C356 L357 L358L79-F354 HydrophobicContact CD1-CD1 3.69Å; L79-F354 HydrophobicContact CD1-CE1 3.63Å; I83-F354 HydrophobicContact CG1-CE1 4Å; L267-F354 HydrophobicContact CD1-CD2 4.31Å; L267-F354 HydrophobicContact CD1-CE2 4.02Å; L270-F354 HydrophobicContact CD1-CB 4.29Å; I350-F354 WeakPolarHBondContact O-CB 3.21Å; I350-F354 PolarHBondContact O-N 3.18Å; L351-F354 WeakPolarHBondContact O-CB 3.41Å; L351-F354 PolarHBondContact O-N 2.86Å; S352-F354 VanDerWaalsContact C-N 3.3Å; S352-F354 PolarHBondContact O-N 2.67Å; F354-C356 VanDerWaalsContact C-N 3.34Å; F354-C356 PolarHBondContact O-N 2.93Å; F354-L357 PolarHBondContact O-N 2.87Å; F354-L358 WeakPolarHBondContact O-CB 3.35Å; F354-L358 PolarHBondContact O-N 3.02Å
355E94Very high92.9Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-54.2-50.1170.1-175.2-174.3159.200110.7S85 S86 R101 Y226 H228 L351 S352 L357 L358 I359S85-E355 PolarHBondContact OG-OE1 3.3Å; S86-E355 PolarHBondContact OG-O 3.46Å; S86-E355 VanDerWaalsContact OG-O 3.13Å; R101-E355 IonicContact NH1-OE1 2.77Å; R101-E355 PolarHBondContact NH1-OE1 2.87Å; R101-E355 VanDerWaalsContact NH1-OE1 3.13Å; Y226-E355 WeakPolarHBondContact CE2-OE2 3.38Å; Y226-E355 PolarHBondContact OH-OE2 2.95Å; H228-E355 IonicContact CE1-OE2 3Å; L351-E355 PolarHBondContact O-N 2.75Å; S352-E355 WeakPolarHBondContact O-CB 3.37Å; S352-E355 PolarHBondContact O-N 3.46Å; E355-L357 VanDerWaalsContact C-N 3.35Å; E355-L357 PolarHBondContact O-N 3.28Å; E355-L358 PolarHBondContact O-N 3.44Å; E355-I359 HydrophobicContact CG-CD1 4.17Å; E355-I359 WeakPolarHBondContact O-CG1 3.49Å; E355-I359 PolarHBondContact O-N 3.19Å
356C91.6Very high92.5Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-64.5-37.4-179.8-61.60000112.9F244 S352 N353 F354 N360 V398F244-C356 HydrophobicContact CZ-CB 4.34Å; F244-C356 WeakPolarHBondContact CZ-SG 3.34Å; S352-C356 PolarHBondContact O-N 3.25Å; S352-C356 VanDerWaalsContact O-N 3.11Å; S352-C356 PolarHBondContact O-SG 2.92Å; N353-C356 PolarHBondContact O-N 2.94Å; F354-C356 VanDerWaalsContact C-N 3.34Å; F354-C356 PolarHBondContact O-N 2.93Å; C356-N360 PolarHBondContact O-N 3.35Å; C356-N360 PolarHBondContact O-ND2 2.91Å; C356-V398 HydrophobicContact CB-CG1 4.49Å; C356-V398 VanDerWaalsContact CB-O 3.31Å; C356-V398 WeakPolarHBondContact CB-O 3.37Å
357L93Very high92Very high13 Ų1323.1 Ų23.17%0.06811%0.113CC..Hα-helixtrans-62.9-47.5173.9-179.4154.9000110.9L263 T266 L267 L270 N353 F354 E355 N360 F361L263-L357 HydrophobicContact CD2-CG 4.42Å; T266-L357 HydrophobicContact CG2-CD1 3.78Å; L267-L357 HydrophobicContact CB-CD1 3.8Å; L267-L357 HydrophobicContact CD1-CD1 4.48Å; L270-L357 HydrophobicContact CD1-CD1 4.04Å; N353-L357 WeakPolarHBondContact O-CB 3.26Å; N353-L357 PolarHBondContact O-N 3.28Å; F354-L357 PolarHBondContact O-N 2.87Å; E355-L357 VanDerWaalsContact C-N 3.35Å; E355-L357 PolarHBondContact O-N 3.28Å; L357-N360 PolarHBondContact O-N 3.4Å; L357-F361 WeakPolarHBondContact O-CB 3.4Å; L357-F361 PolarHBondContact O-N 2.72Å
358L93.7Very high91.5Very high28 Ų2825.3 Ų25.315%0.14713%0.126CC..Hα-helixtrans-65.4-41.6-177.6-176.460.9000111.2I83 S86 F354 E355 N360 F361 L362I83-L358 HydrophobicContact CB-CD2 4.36Å; I83-L358 HydrophobicContact CG1-CD2 4.27Å; I83-L358 HydrophobicContact CG2-CD2 4.38Å; S86-L358 VanDerWaalsContact CB-CD2 3.42Å; S86-L358 VanDerWaalsContact CB-CG 3.48Å; F354-L358 WeakPolarHBondContact O-CB 3.35Å; F354-L358 PolarHBondContact O-N 3.02Å; E355-L358 PolarHBondContact O-N 3.44Å; L358-N360 PolarHBondContact O-N 3.48Å; L358-F361 HydrophobicContact CD1-CD1 4.46Å; L358-F361 PolarHBondContact O-N 2.63Å; L358-L362 HydrophobicContact CD1-CD1 4Å; L358-L362 HydrophobicContact CD1-CD2 4.43Å; L358-L362 HydrophobicContact CD1-CG 3.93Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.34Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 2.7Å
359I91.8Very high91.2Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-53.4-51.2171.3-74.6169.6000111.2F89 W245 L248 E355 F361 L362 H363F89-I359 HydrophobicContact CB-CD1 4.27Å; F89-I359 HydrophobicContact CB-CG1 4.02Å; F89-I359 HydrophobicContact CD1-CB 4.34Å; F89-I359 HydrophobicContact CD1-CG1 4.2Å; F89-I359 HydrophobicContact CD1-CG2 3.42Å; F89-I359 VanDerWaalsContact CD1-CG2 3.42Å; F89-I359 HydrophobicContact CD2-CD1 4.2Å; F89-I359 HydrophobicContact CE1-CG2 3.45Å; F89-I359 VanDerWaalsContact CE1-CG2 3.45Å; F89-I359 HydrophobicContact CG-CD1 4.1Å; F89-I359 HydrophobicContact CG-CG1 4.03Å; F89-I359 HydrophobicContact CG-CG2 4Å; F89-I359 HydrophobicContact CZ-CG2 4.05Å; W245-I359 HydrophobicContact CH2-CD1 4.03Å; W245-I359 HydrophobicContact CZ3-CD1 4.14Å; L248-I359 HydrophobicContact CD2-CG2 4.21Å; E355-I359 HydrophobicContact CG-CD1 4.17Å; E355-I359 WeakPolarHBondContact O-CG1 3.49Å; E355-I359 PolarHBondContact O-N 3.19Å; I359-F361 PolarHBondContact O-N 2.96Å; I359-L362 PolarHBondContact O-N 3.41Å; I359-H363 WeakPolarHBondContact O-CB 3.41Å; I359-H363 PolarHBondContact O-N 3.31Å
360N90.1Very high90.7Very high10 Ų1034.7 Ų34.75%0.05317%0.172CC..Hα-helixtrans-66.5-38.5-179-77.4-57.1000112.7H252 P258 L263 C356 L357 L358 K364H252-N360 PolarHBondContact NE2-OD1 3.16Å; P258-N360 HydrophobicContact CG-CB 4.08Å; L263-N360 HydrophobicContact CD2-CB 3.89Å; C356-N360 PolarHBondContact O-N 3.35Å; C356-N360 PolarHBondContact O-ND2 2.91Å; L357-N360 PolarHBondContact O-N 3.4Å; L358-N360 PolarHBondContact O-N 3.48Å; N360-K364 WeakPolarHBondContact O-CB 3.47Å; N360-K364 PolarHBondContact O-N 3.16Å; N360-K364 VanDerWaalsContact O-N 3.09Å
361F91.4Very high90.1Very high76 Ų7637.1 Ų37.133%0.33319%0.19SC..Hα-helixtrans-63.8-50176.2175.3-97.4000111.8F260 L263 L357 L358 I359 K364 L365F260-F361 HydrophobicContact CD1-CD2 4.39Å; F260-F361 HydrophobicContact CD1-CE2 4.28Å; F260-F361 HydrophobicContact CE1-CD2 4.05Å; F260-F361 AromaticContact CE1-CE2 3.81Å; F260-F361 HydrophobicContact CE1-CE2 3.81Å; L263-F361 HydrophobicContact CD1-CB 4.26Å; L263-F361 HydrophobicContact CD1-CD2 4.36Å; L357-F361 WeakPolarHBondContact O-CB 3.4Å; L357-F361 PolarHBondContact O-N 2.72Å; L358-F361 HydrophobicContact CD1-CD1 4.46Å; L358-F361 PolarHBondContact O-N 2.63Å; I359-F361 PolarHBondContact O-N 2.96Å; F361-K364 WeakPolarHBondContact O-CB 3.44Å; F361-K364 PolarHBondContact O-N 2.88Å; F361-L365 HydrophobicContact CE1-CD2 4.48Å; F361-L365 PolarHBondContact O-N 2.59Å
362L91.4Very high89.3Confident29 Ų2940.8 Ų40.815%0.15222%0.215CC..Hα-helixtrans-65.9-39.9-179.4-69173000111.7L87 T90 L358 I359 K364 L365 S366L87-L362 HydrophobicContact CD2-CD1 3.95Å; L87-L362 HydrophobicContact CG-CD1 4.45Å; T90-L362 HydrophobicContact CG2-CB 3.2Å; T90-L362 HydrophobicContact CG2-CD1 3.88Å; T90-L362 HydrophobicContact CG2-CG 4.18Å; L358-L362 HydrophobicContact CD1-CD1 4Å; L358-L362 HydrophobicContact CD1-CD2 4.43Å; L358-L362 HydrophobicContact CD1-CG 3.93Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.34Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 2.7Å; I359-L362 PolarHBondContact O-N 3.41Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.36Å; L362-L365 PolarHBondContact O-N 3.34Å; L362-S366 WeakPolarHBondContact O-CB 3.1Å; L362-S366 PolarHBondContact O-N 3.16Å
363H87.2Confident88.6Confident32 Ų3246 Ų4615%0.14825%0.246CC..Hα-helixtrans-61-42.3174.4-177.3-106.8000111.5H252 I359 S366 N367H252-H363 AromaticContact CD2-ND1 3.75Å; H252-H363 AromaticContact CG-CE1 3.82Å; H252-H363 AromaticContact CG-ND1 3.85Å; I359-H363 WeakPolarHBondContact O-CB 3.41Å; I359-H363 PolarHBondContact O-N 3.31Å; H363-S366 WeakPolarHBondContact O-CB 3.39Å; H363-S366 PolarHBondContact O-N 3.42Å; H363-N367 PolarHBondContact CE1-ND2 3.01Å; H363-N367 PolarHBondContact O-N 3.41Å; H363-N367 PolarHBondContact O-ND2 2.9Å
364K88Confident87.3Confident35 Ų3555.2 Ų55.215%0.15228%0.281CS..Hα-helixtrans-62.1-47175.4-170.8169.7-172.8168.20112.4S257 P258 S259 F260 L263 N360 F361 L362 S366 N367 I368S257-K364 WeakPolarHBondContact OG-CB 3.4Å; P258-K364 WeakPolarHBondContact O-CD 3.22Å; P258-K364 PolarHBondContact O-NZ 3.35Å; S259-K364 VanDerWaalsContact C-NZ 3.31Å; F260-K364 HydrophobicContact CD1-CD 4.1Å; F260-K364 HydrophobicContact CD2-CD 4.08Å; F260-K364 VanDerWaalsContact CD2-CE 3.49Å; F260-K364 HydrophobicContact CE1-CD 3.88Å; F260-K364 HydrophobicContact CE1-CG 4.35Å; F260-K364 HydrophobicContact CE2-CD 3.88Å; F260-K364 VanDerWaalsContact CE2-CE 3.46Å; F260-K364 HydrophobicContact CE2-CG 4.29Å; F260-K364 HydrophobicContact CG-CD 4.19Å; F260-K364 HydrophobicContact CZ-CD 3.76Å; F260-K364 HydrophobicContact CZ-CG 3.96Å; L263-K364 HydrophobicContact CD1-CD 4.24Å; N360-K364 WeakPolarHBondContact O-CB 3.47Å; N360-K364 PolarHBondContact O-N 3.16Å; N360-K364 VanDerWaalsContact O-N 3.09Å; F361-K364 WeakPolarHBondContact O-CB 3.44Å; F361-K364 PolarHBondContact O-N 2.88Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.36Å; K364-S366 VanDerWaalsContact C-N 3.31Å; K364-S366 PolarHBondContact O-N 3.34Å; K364-N367 PolarHBondContact O-N 3.06Å; K364-I368 HydrophobicContact CG-CD1 4.25Å; K364-I368 WeakPolarHBondContact O-CG1 3.41Å; K364-I368 PolarHBondContact O-N 2.82Å; K364-I368 VanDerWaalsContact O-N 3.07Å
365L89.4Confident85.5Confident69 Ų6958.9 Ų58.936%0.36130%0.303SS..Hα-helixtrans-60.4-43.5178-172.765.6000111F361 L362 N367 I368 L369F361-L365 HydrophobicContact CE1-CD2 4.48Å; F361-L365 PolarHBondContact O-N 2.59Å; L362-L365 PolarHBondContact O-N 3.34Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 3.15Å; L365-I368 PolarHBondContact O-N 3.42Å; L365-L369 HydrophobicContact CG-CD1 4.16Å; L365-L369 VanDerWaalsContact O-CG 3.31Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 2.9Å
366S86.9Confident83.6Confident32 Ų3264.7 Ų64.722%0.22434%0.338CS..Hα-helixtrans-57.7-43.9174.8-172.70000112.2L362 H363 K364 L369 K370L362-S366 WeakPolarHBondContact O-CB 3.1Å; L362-S366 PolarHBondContact O-N 3.16Å; H363-S366 WeakPolarHBondContact O-CB 3.39Å; H363-S366 PolarHBondContact O-N 3.42Å; K364-S366 VanDerWaalsContact C-N 3.31Å; K364-S366 PolarHBondContact O-N 3.34Å; S366-L369 PolarHBondContact O-N 2.9Å; S366-K370 WeakPolarHBondContact O-CB 3.41Å; S366-K370 VanDerWaalsContact O-CG 3.3Å; S366-K370 WeakPolarHBondContact O-CG 3.49Å; S366-K370 PolarHBondContact O-N 3.29Å
367N84.7Confident81.5Confident40 Ų4072.8 Ų72.821%0.21437%0.374CS..Hα-helixtrans-65.8-38.6178.3-72.7-22000112.8H363 K364 L365 K370 S371H363-N367 PolarHBondContact CE1-ND2 3.01Å; H363-N367 PolarHBondContact O-N 3.41Å; H363-N367 PolarHBondContact O-ND2 2.9Å; K364-N367 PolarHBondContact O-N 3.06Å; L365-N367 VanDerWaalsContact C-N 3.34Å; L365-N367 PolarHBondContact O-N 3.15Å; N367-K370 PolarHBondContact O-N 3.27Å; N367-S371 WeakPolarHBondContact O-CB 3.32Å; N367-S371 PolarHBondContact O-N 2.97Å
368I86.4Confident79Confident69 Ų6978.2 Ų78.235%0.35441%0.407SS..Hα-helixtrans-64.4-47.8175-66.7167.2000110.2F260 K364 L365 K370 S371 C372F260-I368 HydrophobicContact CE2-CD1 3.44Å; F260-I368 VanDerWaalsContact CE2-CD1 3.44Å; F260-I368 HydrophobicContact CZ-CD1 3.55Å; K364-I368 HydrophobicContact CG-CD1 4.25Å; K364-I368 WeakPolarHBondContact O-CG1 3.41Å; K364-I368 PolarHBondContact O-N 2.82Å; K364-I368 VanDerWaalsContact O-N 3.07Å; L365-I368 PolarHBondContact O-N 3.42Å; I368-K370 VanDerWaalsContact C-N 3.33Å; I368-K370 PolarHBondContact O-N 2.94Å; I368-S371 WeakPolarHBondContact O-CB 3.48Å; I368-S371 PolarHBondContact O-N 3.45Å; I368-S371 VanDerWaalsContact O-N 3.09Å; I368-C372 PolarHBondContact O-N 3.31Å; I368-C372 PolarHBondContact O-SG 3.15Å; I368-C372 VanDerWaalsContact O-SG 3.36Å
369L87.6Confident76.2Confident103 Ų10384 Ų8454%0.53944%0.444SS..Hα-helixtrans-59.2-44178.2-70.4169.3000111.5L365 S366 S371 C372 V373L365-L369 HydrophobicContact CG-CD1 4.16Å; L365-L369 VanDerWaalsContact O-CG 3.31Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 2.9Å; S366-L369 PolarHBondContact O-N 2.9Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 3.27Å; L369-C372 PolarHBondContact O-N 3.12Å; L369-V373 WeakPolarHBondContact O-CG2 3.4Å; L369-V373 PolarHBondContact O-N 3.28Å; L369-V373 VanDerWaalsContact O-N 3.1Å
370K84.7Confident73.8Confident120 Ų12088.9 Ų88.952%0.52247%0.474SS..Hα-helixtrans-61.6-37.9174.4-73.1172.2-175.5172.20112.6S366 N367 I368 R374S366-K370 WeakPolarHBondContact O-CB 3.41Å; S366-K370 VanDerWaalsContact O-CG 3.3Å; S366-K370 WeakPolarHBondContact O-CG 3.49Å; S366-K370 PolarHBondContact O-N 3.29Å; N367-K370 PolarHBondContact O-N 3.27Å; I368-K370 VanDerWaalsContact C-N 3.33Å; I368-K370 PolarHBondContact O-N 2.94Å; K370-R374 PolarHBondContact O-N 2.79Å; K370-R374 VanDerWaalsContact O-N 3.14Å
371S82.2Confident71.2Confident62 Ų6294.6 Ų94.643%0.43451%0.509SS..Hα-helixtrans-67.1-42.2176.2-168.80000112.1N367 I368 L369 V373 R374 N375N367-S371 WeakPolarHBondContact O-CB 3.32Å; N367-S371 PolarHBondContact O-N 2.97Å; I368-S371 WeakPolarHBondContact O-CB 3.48Å; I368-S371 PolarHBondContact O-N 3.45Å; I368-S371 VanDerWaalsContact O-N 3.09Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 3.27Å; S371-V373 VanDerWaalsContact C-N 3.32Å; S371-V373 PolarHBondContact O-N 3.29Å; S371-R374 PolarHBondContact O-N 2.94Å; S371-N375 PolarHBondContact O-N 3.38Å; S371-N375 VanDerWaalsContact O-N 3.16Å
372C79.4Confident68.9Low84 Ų8496.5 Ų96.557%0.56853%0.527SS*.Hα-helixtrans-63.5-38.4177.5-66.80000112I368 L369I368-C372 PolarHBondContact O-N 3.31Å; I368-C372 PolarHBondContact O-SG 3.15Å; I368-C372 VanDerWaalsContact O-SG 3.36Å; L369-C372 PolarHBondContact O-N 3.12Å
373V78.6Confident66.5Low109 Ų109100.5 Ų100.566%0.66155%0.553SS**Hα-helixtrans-68.5-38.6176.9174.50000111.6L369 S371 T376L369-V373 WeakPolarHBondContact O-CG2 3.4Å; L369-V373 PolarHBondContact O-N 3.28Å; L369-V373 VanDerWaalsContact O-N 3.1Å; S371-V373 VanDerWaalsContact C-N 3.32Å; S371-V373 PolarHBondContact O-N 3.29Å; V373-T376 PolarHBondContact O-OG1 3.08Å; V373-T376 VanDerWaalsContact O-OG1 3.05Å
374R66.3Low64.2Low200 Ų200106.1 Ų106.176%0.75558%0.584SS**Hα-helixtrans-70.7-30179.4-86.9-177.1-179.2155-0.2114.2K370 S371 T376 K377K370-R374 PolarHBondContact O-N 2.79Å; K370-R374 VanDerWaalsContact O-N 3.14Å; S371-R374 PolarHBondContact O-N 2.94Å; R374-T376 PolarHBondContact O-N 2.79Å; R374-K377 PolarHBondContact O-N 2.91Å
375N57.9Low61.9Low126 Ų126113 Ų11367%0.67462%0.617SS**THydrogen-bonded Turntrans-70.210.1-176.9-84.8-2.1000115.6S371S371-N375 PolarHBondContact O-N 3.38Å; S371-N375 VanDerWaalsContact O-N 3.16Å
376T52.9Low59.6Low122 Ų122116.2 Ų116.275%0.74863%0.633SS**THydrogen-bonded Turntrans-88.9-2.2168.548.90000113.7V373 R374V373-T376 PolarHBondContact O-OG1 3.08Å; V373-T376 VanDerWaalsContact O-OG1 3.05Å; R374-T376 PolarHBondContact O-N 2.79Å
377K48.3Very low57.1Low170 Ų170125.6 Ų125.674%0.73966%0.663SS**SBendtrans-134.1133.1169.1-67.5-179.6179.5178.40108.4R374R374-K377 PolarHBondContact O-N 2.91Å
378T40.8Very low54.9Low127 Ų127133.4 Ų133.478%0.77970%0.695SS**  trans74.387.3176.850.60000118.1T380T378-T380 PolarHBondContact O-N 3.27Å
379T34.2Very low52.6Low149 Ų149134.9 Ų134.991%0.91471%0.711SS**  trans-69.199.9149.8-26.10000107.9
380T41.1Very low50.2Low102 Ų102141.3 Ų141.363%0.62673%0.729SS**  trans-165.5112.9161.990000110.6T378T378-T380 PolarHBondContact O-N 3.27Å
381T36.7Very low48.1Very low130 Ų130140.1 Ų140.180%0.79874%0.735SS**  trans52.480.5151.961.50000118.1
382V42.9Very low46.1Very low116 Ų116144.6 Ų144.670%0.70375%0.754SS**  trans-122.471.5161.8-173.30000109
383T40.6Very low44.5Very low113 Ų113145.1 Ų145.169%0.69376%0.757SS**  trans-116.8-8172.342.30000114.2
384D38.6Very low42.9Very low151 Ų151144.1 Ų144.181%0.80776%0.755SS**SBendtrans-111.8-3.3-167.4-76.3-31.1000118
385Q40.1Very low42.3Very low180 Ų180140.5 Ų140.584%0.84176%0.757SS**SBendtrans-103.1-8.6178.2-71.5-168.9-16.900115.3R387Q385-R387 VanDerWaalsContact C-N 3.34Å; Q385-R387 PolarHBondContact O-N 3.47Å
386I41.5Very low42.1Very low135 Ų135137 Ų13769%0.69274%0.738SS**G310 helixtrans-80.4-14.9-175.1-64.6172000112.3
387R33.6Very low42.3Very low230 Ų230136.7 Ų136.787%0.86873%0.728SS**G310 helixtrans-89.5-9.7-169.6-148171.6-166.7151.42116.1Q385Q385-R387 VanDerWaalsContact C-N 3.34Å; Q385-R387 PolarHBondContact O-N 3.47Å
388K38.8Very low42.9Very low204 Ų204129.7 Ų129.789%0.88770%0.699SS**G310 helixtrans-96.70.4-177-85.5-178.9175.7176.30115.7R390K388-R390 PolarHBondContact O-N 3.36Å
389S37.9Very low44.2Very low99 Ų99124.8 Ų124.869%0.69267%0.67SS**  trans-93.634.8-178.6177.20000113.7
390R36.4Very low46.5Very low239 Ų239118.3 Ų118.390%0.90263%0.629SS**  trans-91.58.6-177.4-139.6177.5-170.2155.21.9114.5K388K388-R390 PolarHBondContact O-N 3.36Å
391S40.7Very low48.9Very low94 Ų94113.9 Ų113.966%0.65760%0.602SS**SBendtrans-79.1119.6162.2520000108
392D41.8Very low51.5Low157 Ų157108.5 Ų108.584%0.8457%0.569SS**  trans-41.5124.5173.4-88.1-38.2000109.7S394D392-S394 PolarHBondContact O-N 2.99Å
393P45Very low53.8Low95 Ų95107 Ų10762%0.61755%0.554SS**  trans-58122.8176.122.5-29000107
394S45.7Very low56.3Low88 Ų88102.8 Ų102.862%0.61553%0.529SS*.  trans-37.3138.7173.852.80000110.2D392 I396D392-S394 PolarHBondContact O-N 2.99Å; S394-I396 PolarHBondContact O-N 3.43Å
395P52.3Low58.9Low124 Ų12496 Ų9681%0.80549%0.493SS*.  trans-48.7118.4-175.420.8-32.6000108.5Q397P395-Q397 PolarHBondContact O-N 3.33Å
396I53.9Low61.3Low52 Ų5288.9 Ų88.927%0.26747%0.465SS..  trans-49.6118.2-179.6-57.3170.7000105.8P258 T262 S394 V398P258-I396 HydrophobicContact CB-CD1 3.3Å; P258-I396 HydrophobicContact CB-CG1 4.01Å; P258-I396 HydrophobicContact CG-CD1 3.96Å; T262-I396 HydrophobicContact CG2-CD1 3.35Å; T262-I396 HydrophobicContact CG2-CG1 4.26Å; S394-I396 PolarHBondContact O-N 3.43Å; I396-V398 HydrophobicContact CB-CG2 3.83Å; I396-V398 HydrophobicContact CG2-CB 4.49Å; I396-V398 HydrophobicContact CG2-CG2 3.59Å; I396-V398 WeakPolarHBondContact O-CG2 3.46Å; I396-V398 PolarHBondContact O-N 3.35Å
397Q58.3Low63.7Low115 Ų11583.7 Ų83.754%0.53744%0.44SS..  trans-7484.3170-169.8174.6-1.900106.2F244 P395 S399F244-Q397 HydrophobicContact CD2-CG 4.48Å; F244-Q397 WeakPolarHBondContact CE2-O 3.46Å; P395-Q397 PolarHBondContact O-N 3.33Å; Q397-S399 PolarHBondContact O-N 2.91Å
398V60.2Low66.3Low24 Ų2474.2 Ų74.215%0.14541%0.407CS..  trans-73.3-16.4-177.4-164.90000110.9T266 N353 C356 I396T266-V398 HydrophobicContact CG2-CG1 3.95Å; T266-V398 HydrophobicContact CG2-CG2 4.11Å; N353-V398 HydrophobicContact CB-CG1 4.11Å; N353-V398 WeakPolarHBondContact OD1-CB 3.33Å; N353-V398 WeakPolarHBondContact OD1-CG1 3.27Å; N353-V398 PolarHBondContact OD1-O 3.41Å; C356-V398 HydrophobicContact CB-CG1 4.49Å; C356-V398 VanDerWaalsContact CB-O 3.31Å; C356-V398 WeakPolarHBondContact CB-O 3.37Å; I396-V398 HydrophobicContact CB-CG2 3.83Å; I396-V398 HydrophobicContact CG2-CB 4.49Å; I396-V398 HydrophobicContact CG2-CG2 3.59Å; I396-V398 WeakPolarHBondContact O-CG2 3.46Å; I396-V398 PolarHBondContact O-N 3.35Å
399S68Low68.8Low23 Ų2366.4 Ų66.416%0.16138%0.375CS..  trans-136.1137.8-170.5-145.60000114.4N353 Q397 M401N353-S399 PolarHBondContact ND2-OG 3.45Å; N353-S399 WeakPolarHBondContact OD1-CB 3.35Å; N353-S399 PolarHBondContact OD1-N 3.15Å; N353-S399 PolarHBondContact OD1-OG 3.18Å; Q397-S399 PolarHBondContact O-N 2.91Å; S399-M401 PolarHBondContact OG-N 2.85Å; S399-M401 VanDerWaalsContact OG-N 3.13Å; S399-M401 PolarHBondContact OG-O 3.39Å
400F82.6Confident71.2Confident14 Ų1464.5 Ų64.56%0.06136%0.355CS..SBendtrans-95.6-10.2156.157.4-93.2000112.3Y226 V236 W241 F244 W245Y226-F400 HydrophobicContact CD1-CE2 4.27Å; Y226-F400 HydrophobicContact CD1-CZ 4.35Å; Y226-F400 AromaticContact CE1-CE2 3.72Å; Y226-F400 HydrophobicContact CE1-CE2 3.72Å; Y226-F400 AromaticContact CE1-CZ 3.51Å; Y226-F400 HydrophobicContact CE1-CZ 3.51Å; Y226-F400 AromaticContact CZ-CZ 3.65Å; V236-F400 HydrophobicContact CG1-CD2 4.02Å; V236-F400 HydrophobicContact CG2-CD2 4Å; V236-F400 HydrophobicContact CG2-CE2 4.4Å; W241-F400 AromaticContact CE3-CD2 3.98Å; W241-F400 HydrophobicContact CE3-CD2 3.98Å; W241-F400 AromaticContact CE3-CE2 3.89Å; W241-F400 HydrophobicContact CE3-CE2 3.89Å; W241-F400 HydrophobicContact CE3-CG 4.43Å; W241-F400 HydrophobicContact CE3-CZ 4.28Å; W241-F400 HydrophobicContact CZ3-CD2 4.15Å; W241-F400 HydrophobicContact CZ3-CE1 4.25Å; W241-F400 AromaticContact CZ3-CE2 3.59Å; W241-F400 HydrophobicContact CZ3-CE2 3.59Å; W241-F400 AromaticContact CZ3-CZ 3.64Å; W241-F400 HydrophobicContact CZ3-CZ 3.64Å; F244-F400 HydrophobicContact CB-CB 3.98Å; F244-F400 HydrophobicContact CD1-CB 4.34Å; F244-F400 AromaticContact CD1-CD1 3.66Å; F244-F400 HydrophobicContact CD1-CD1 3.66Å; F244-F400 HydrophobicContact CD1-CE1 4.46Å; F244-F400 HydrophobicContact CD1-CG 4.38Å; F244-F400 HydrophobicContact CD2-CB 3.96Å; F244-F400 HydrophobicContact CD2-CD1 4.22Å; F244-F400 AromaticContact CE1-CD1 3.66Å; F244-F400 HydrophobicContact CE1-CD1 3.66Å; F244-F400 HydrophobicContact CE1-CE1 4.2Å; F244-F400 HydrophobicContact CE2-CD1 4.2Å; F244-F400 HydrophobicContact CG-CB 3.82Å; F244-F400 AromaticContact CG-CD1 3.96Å; F244-F400 HydrophobicContact CG-CD1 3.96Å; F244-F400 HydrophobicContact CG-CG 4.34Å; F244-F400 AromaticContact CZ-CD1 3.95Å; F244-F400 HydrophobicContact CZ-CD1 3.95Å; W245-F400 HydrophobicContact CZ2-CE1 4.4Å
401M91.2Very high73.8Confident9 Ų954.1 Ų54.14%0.04432%0.316CS..SBendtrans-84.6132.2-175.6-156.765.5135.700110.9A229 P234 V236 P348 Y349 S399A229-M401 HydrophobicContact CB-CE 3.71Å; A229-M401 HydrophobicContact CB-SD 4.46Å; P234-M401 HydrophobicContact CG-CE 3.6Å; P234-M401 HydrophobicContact CG-CG 3.71Å; P234-M401 HydrophobicContact CG-SD 3.68Å; V236-M401 HydrophobicContact CG2-SD 3.28Å; V236-M401 WeakPolarHBondContact CG2-SD 3.2Å; P348-M401 HydrophobicContact CB-CE 3.35Å; Y349-M401 HydrophobicContact CD2-CB 4.24Å; S399-M401 PolarHBondContact OG-N 2.85Å; S399-M401 VanDerWaalsContact OG-N 3.13Å; S399-M401 PolarHBondContact OG-O 3.39Å
402P91.9Very high76.3Confident17 Ų1751.1 Ų51.111%0.1129%0.292CS..PPolyproline II helixtrans-59.1146.9173.9-20.330.4000111.7P234 L235 Y349 R423P234-P402 HydrophobicContact CB-CG 4.44Å; L235-P402 WeakPolarHBondContact O-CG 3.27Å; Y349-P402 WeakPolarHBondContact CD2-O 3.45Å; P402-R423 HydrophobicContact CB-CB 3.78Å
403E90.7Very high78.8Confident83 Ų8345.5 Ų45.539%0.38826%0.262SS..PPolyproline II helixtrans-62.9145.4175.7-68-177164.400112Y349 R423Y349-E403 HydrophobicContact CE2-CG 4.15Å; E403-R423 VanDerWaalsContact CB-CZ 3.46Å; E403-R423 PolarHBondContact O-NH1 2.64Å; E403-R423 IonicContact OE2-CZ 3.57Å; E403-R423 IonicContact OE2-NE 2.67Å; E403-R423 IonicContact OE2-NH2 3.46Å; E403-R423 PolarHBondContact OE2-NH2 3.45Å
404P92.6Very high81.1Confident26 Ų2641.6 Ų41.617%0.16924%0.236CC..PPolyproline II helixtrans-60.3157.2175.1-21.233.4000112.5L342 Y349 R423L342-P404 HydrophobicContact CD1-CB 3.97Å; Y349-P404 HydrophobicContact CD1-CG 4.34Å; Y349-P404 HydrophobicContact CG-CG 4.12Å; P404-R423 PolarHBondContact O-NH1 3.15Å
405P93.5Very high83.4Confident8 Ų837.7 Ų37.75%0.05221%0.209CC..PPolyproline II helixtrans-51.2145-171.521.4-34.5000112.9F338 L342 F421F338-P405 HydrophobicContact CD2-CB 4.17Å; F338-P405 HydrophobicContact CD2-CG 4.21Å; F338-P405 HydrophobicContact CE2-CB 4.31Å; F338-P405 HydrophobicContact CE2-CG 4.27Å; F338-P405 WeakPolarHBondContact CE2-O 3.48Å; L342-P405 HydrophobicContact CB-CG 4.45Å; P405-F421 WeakPolarHBondContact CA-O 3.46Å; P405-F421 HydrophobicContact CB-CD2 3.9Å; P405-F421 HydrophobicContact CB-CE2 4.14Å; P405-F421 HydrophobicContact CB-CG 4.46Å; P405-F421 WeakPolarHBondContact CB-O 3.48Å
406A90.9Very high85.3Confident30 Ų3032 Ų3225%0.24817%0.172CC..PPolyproline II helixtrans-78.1155.2166.100000111F338 L408 F411 S420F338-A406 WeakPolarHBondContact CD2-O 3.37Å; A406-L408 PolarHBondContact O-N 3.02Å; A406-F411 HydrophobicContact CB-CE1 3.86Å; A406-F411 HydrophobicContact CB-CZ 3.77Å; A406-S420 PolarHBondContact N-O 2.99Å; A406-S420 VanDerWaalsContact N-O 3.08Å
407C90.9Very high87.2Confident27 Ų2730.7 Ų30.718%0.18217%0.167CC..PPolyproline II helixtrans-60.5126.3-179.8-179.60000111F338 L409 H410F338-C407 HydrophobicContact CE2-CB 4.45Å; F338-C407 HydrophobicContact CZ-CB 4.25Å; C407-L409 PolarHBondContact O-N 3.44Å; C407-H410 WeakPolarHBondContact O-CB 3.48Å; C407-H410 PolarHBondContact O-N 3.01Å
408L89.9Confident88.9Confident31 Ų3128 Ų2816%0.16215%0.151CC..G310 helixtrans-59.7-30.6-178.1-73.5163.8000113T334 F338 A406 H410 F411 F421T334-L408 HydrophobicContact CG2-CB 4.2Å; T334-L408 HydrophobicContact CG2-CD1 3.7Å; T334-L408 VanDerWaalsContact O-CD1 3.22Å; T334-L408 WeakPolarHBondContact O-CD1 3.38Å; F338-L408 HydrophobicContact CB-CD1 3.83Å; F338-L408 HydrophobicContact CB-CG 4.28Å; A406-L408 PolarHBondContact O-N 3.02Å; L408-H410 PolarHBondContact O-N 3.18Å; L408-F411 HydrophobicContact CD2-CD2 4.08Å; L408-F411 HydrophobicContact CD2-CE2 3.83Å; L408-F411 HydrophobicContact CG-CE2 4.48Å; L408-F411 PolarHBondContact O-N 2.9Å; L408-F421 HydrophobicContact CD1-CD2 4.47Å; L408-F421 HydrophobicContact CD1-CE2 4.05Å; L408-F421 HydrophobicContact CD2-CD2 3.78Å; L408-F421 HydrophobicContact CD2-CE2 4.17Å; L408-F421 HydrophobicContact CG-CD2 4.14Å; L408-F421 HydrophobicContact CG-CE2 4.19Å
409L90.1Very high90.5Very high40 Ų4030.5 Ų30.521%0.20916%0.158CC..G310 helixtrans-73.6-9.4178.3-58.9-178000113.7Y331 L335 C407 V577Y331-L409 HydrophobicContact CD2-CD2 4.22Å; Y331-L409 HydrophobicContact CE2-CD1 3.82Å; Y331-L409 HydrophobicContact CE2-CD2 3.56Å; Y331-L409 HydrophobicContact CE2-CG 4.34Å; Y331-L409 WeakPolarHBondContact OH-CD1 3.47Å; L335-L409 HydrophobicContact CD1-CD1 4.14Å; L335-L409 HydrophobicContact CD2-CD1 3.71Å; L335-L409 HydrophobicContact CD2-CG 3.79Å; L335-L409 HydrophobicContact CG-CD1 4.24Å; L335-L409 HydrophobicContact CG-CG 4.49Å; C407-L409 PolarHBondContact O-N 3.44Å; L409-V577 WeakPolarHBondContact O-CG2 3.43Å
410H88.9Confident91.7Very high59 Ų5930 Ų3027%0.27316%0.155SC..G310 helixtrans-89.9-15.4178.2-65.4171.8000112.6C407 L408 V577 R581 I587C407-H410 WeakPolarHBondContact O-CB 3.48Å; C407-H410 PolarHBondContact O-N 3.01Å; L408-H410 PolarHBondContact O-N 3.18Å; H410-V577 WeakPolarHBondContact O-CG1 3.19Å; H410-R581 VanDerWaalsContact O-CZ 3.29Å; H410-R581 PolarHBondContact O-NE 2.97Å; H410-R581 PolarHBondContact O-NH2 3.36Å; H410-I587 HydrophobicContact CB-CG2 4.27Å
411F90.9Very high92.1Very high20 Ų2031 Ų319%0.08816%0.159CC..  trans-74.9130.6-173-61.8-45.9000112.6A406 L408 E416 C417A406-F411 HydrophobicContact CB-CE1 3.86Å; A406-F411 HydrophobicContact CB-CZ 3.77Å; L408-F411 HydrophobicContact CD2-CD2 4.08Å; L408-F411 HydrophobicContact CD2-CE2 3.83Å; L408-F411 HydrophobicContact CG-CE2 4.48Å; L408-F411 PolarHBondContact O-N 2.9Å; F411-E416 HydrophobicContact CD1-CB 4.35Å; F411-E416 HydrophobicContact CD1-CG 3.75Å; F411-E416 WeakPolarHBondContact CD1-OE1 3.48Å; F411-E416 HydrophobicContact CE1-CG 4.16Å; F411-C417 HydrophobicContact CB-CB 4.33Å; F411-C417 HydrophobicContact CD2-CB 3.61Å; F411-C417 HydrophobicContact CE2-CB 4.04Å; F411-C417 HydrophobicContact CG-CB 4Å
412L93Very high92.3Very high31 Ų3131.9 Ų31.916%0.16216%0.164CC..SBendtrans-93.3-26.5172.8-61-179.4000112.6L525 C528 L574 V577L412-L525 HydrophobicContact CD2-CD2 4.47Å; L412-C528 WeakPolarHBondContact O-CB 3.47Å; L412-L574 HydrophobicContact CD2-CB 4.22Å; L412-L574 HydrophobicContact CD2-CD2 3.64Å; L412-V577 HydrophobicContact CD2-CB 4.15Å; L412-V577 HydrophobicContact CD2-CG1 3.79Å; L412-V577 HydrophobicContact CG-CG1 4.39Å
413L93.8Very high92.4Very high39 Ų3932.9 Ų32.920%0.20417%0.166CC..SBendtrans-128.2146.8-171.3-65.3170.1000110.7S415 E416 C417 E495 K499L413-S415 VanDerWaalsContact C-N 3.33Å; L413-E416 HydrophobicContact CB-CB 4.08Å; L413-E416 WeakPolarHBondContact O-CB 3.48Å; L413-E416 PolarHBondContact O-N 3.35Å; L413-E416 VanDerWaalsContact O-N 3.15Å; L413-C417 PolarHBondContact O-N 2.98Å; L413-C417 VanDerWaalsContact O-N 3.15Å; L413-E495 HydrophobicContact CD2-CG 4.15Å; L413-K499 VanDerWaalsContact CD1-NZ 3.25Å
414I93.1Very high92.6Very high13 Ų1329 Ų297%0.06715%0.148CC..Hα-helixtrans-65.2-42.7176-57.5-48.7000109.9E416 C417 W418 L491 E495 S531 S535I414-E416 PolarHBondContact O-N 3.23Å; I414-E416 VanDerWaalsContact O-N 3.15Å; I414-C417 WeakPolarHBondContact O-CB 3.32Å; I414-C417 PolarHBondContact O-N 3.41Å; I414-C417 VanDerWaalsContact O-N 3.13Å; I414-W418 VanDerWaalsContact O-CD1 3.25Å; I414-W418 PolarHBondContact O-N 3.38Å; I414-W418 VanDerWaalsContact O-N 3.11Å; I414-L491 HydrophobicContact CG1-CB 4.34Å; I414-E495 PolarHBondContact N-OE2 3.18Å; I414-S531 WeakPolarHBondContact CG1-OG 3.34Å; I414-S535 WeakPolarHBondContact CD1-OG 3.47Å
415S93.8Very high92.7Very high7 Ų728.3 Ų28.35%0.04914%0.143CC..Hα-helixtrans-60.6-25.5175.971.80000113.8L413 R419 E495L413-S415 VanDerWaalsContact C-N 3.33Å; S415-R419 VanDerWaalsContact O-CD 3.22Å; S415-R419 WeakPolarHBondContact O-CD 3.34Å; S415-R419 WeakPolarHBondContact O-CG 3.12Å; S415-R419 PolarHBondContact O-N 3.38Å; S415-E495 VanDerWaalsContact CB-OE1 3.3Å; S415-E495 WeakPolarHBondContact CB-OE1 3.39Å; S415-E495 WeakPolarHBondContact CB-OE2 3.49Å; S415-E495 PolarHBondContact N-OE2 2.79Å; S415-E495 PolarHBondContact OG-OE1 3.04Å; S415-E495 PolarHBondContact OG-OE2 3.3Å
416E93.5Very high92.8Very high5 Ų531 Ų312%0.02315%0.152CC..Hα-helixtrans-75.9-46.4174.6-171.9-174.2160.200111.3F411 L413 I414 W418 R419 S420 R581 P589 F591F411-E416 HydrophobicContact CD1-CB 4.35Å; F411-E416 HydrophobicContact CD1-CG 3.75Å; F411-E416 WeakPolarHBondContact CD1-OE1 3.48Å; F411-E416 HydrophobicContact CE1-CG 4.16Å; L413-E416 HydrophobicContact CB-CB 4.08Å; L413-E416 WeakPolarHBondContact O-CB 3.48Å; L413-E416 PolarHBondContact O-N 3.35Å; L413-E416 VanDerWaalsContact O-N 3.15Å; I414-E416 PolarHBondContact O-N 3.23Å; I414-E416 VanDerWaalsContact O-N 3.15Å; E416-W418 VanDerWaalsContact C-N 3.33Å; E416-W418 PolarHBondContact O-N 3.23Å; E416-R419 WeakPolarHBondContact O-CB 3.34Å; E416-R419 PolarHBondContact O-N 3.19Å; E416-S420 WeakPolarHBondContact O-CB 3.22Å; E416-S420 PolarHBondContact O-N 3.16Å; E416-R581 IonicContact OE1-CZ 3.42Å; E416-R581 IonicContact OE1-NH1 3.33Å; E416-R581 IonicContact OE1-NH2 3.13Å; E416-R581 PolarHBondContact OE1-NH2 2.98Å; E416-R581 IonicContact OE2-CZ 2.67Å; E416-R581 IonicContact OE2-NH1 3.5Å; E416-R581 PolarHBondContact OE2-NH1 2.86Å; E416-R581 IonicContact OE2-NH2 3.29Å; E416-R581 PolarHBondContact OE2-NH2 3.26Å; E416-P589 HydrophobicContact CG-CB 4.07Å; E416-P589 HydrophobicContact CG-CG 4.08Å; E416-P589 WeakPolarHBondContact OE1-CB 3.21Å; E416-P589 WeakPolarHBondContact OE1-CD 3.49Å; E416-P589 VanDerWaalsContact OE1-CG 3.22Å; E416-P589 WeakPolarHBondContact OE1-CG 3.47Å; E416-F591 HydrophobicContact CG-CE1 4.03Å; E416-F591 HydrophobicContact CG-CZ 4.21Å
417C93.3Very high93Very high24 Ų2432.1 Ų32.116%0.16215%0.154CC..Hα-helixtrans-52.7-51.4176.4-176.40000111.3F411 L413 I414 R419 S420 F421F411-C417 HydrophobicContact CB-CB 4.33Å; F411-C417 HydrophobicContact CD2-CB 3.61Å; F411-C417 HydrophobicContact CE2-CB 4.04Å; F411-C417 HydrophobicContact CG-CB 4Å; L413-C417 PolarHBondContact O-N 2.98Å; L413-C417 VanDerWaalsContact O-N 3.15Å; I414-C417 WeakPolarHBondContact O-CB 3.32Å; I414-C417 PolarHBondContact O-N 3.41Å; I414-C417 VanDerWaalsContact O-N 3.13Å; C417-R419 PolarHBondContact O-N 3.28Å; C417-S420 PolarHBondContact O-N 3.16Å; C417-F421 VanDerWaalsContact O-CB 3.29Å; C417-F421 WeakPolarHBondContact O-CB 3.21Å; C417-F421 PolarHBondContact O-N 3.44Å
418W93.7Very high93.2Very high58 Ų5830.8 Ų30.822%0.2215%0.145CC..Hα-helixtrans-64.9-19.4179-75.899.2000114.7I414 E416 Y468 V471 W484 L485 N488I414-W418 VanDerWaalsContact O-CD1 3.25Å; I414-W418 PolarHBondContact O-N 3.38Å; I414-W418 VanDerWaalsContact O-N 3.11Å; E416-W418 VanDerWaalsContact C-N 3.33Å; E416-W418 PolarHBondContact O-N 3.23Å; W418-Y468 VanDerWaalsContact CD1-OH 3.28Å; W418-Y468 HydrophobicContact CD2-CE1 4.32Å; W418-Y468 AromaticContact CE2-CE1 3.84Å; W418-Y468 HydrophobicContact CH2-CE1 4.04Å; W418-Y468 AromaticContact CZ2-CE1 3.71Å; W418-Y468 HydrophobicContact CZ2-CE1 3.71Å; W418-Y468 HydrophobicContact CZ3-CE1 4.48Å; W418-Y468 PolarHBondContact NE1-OH 3.25Å; W418-V471 HydrophobicContact CZ3-CG1 4.43Å; W418-W484 AromaticContact CH2-CE2 3.93Å; W418-W484 AromaticContact CH2-CH2 3.97Å; W418-W484 HydrophobicContact CH2-CH2 3.97Å; W418-W484 AromaticContact CH2-CZ2 3.38Å; W418-W484 HydrophobicContact CH2-CZ2 3.38Å; W418-W484 HydrophobicContact CZ2-CZ2 4.04Å; W418-W484 HydrophobicContact CZ3-CZ2 4.24Å; W418-L485 HydrophobicContact CH2-CD2 3.64Å; W418-L485 HydrophobicContact CZ2-CD2 4.32Å; W418-L485 HydrophobicContact CZ3-CD2 4.47Å; W418-N488 HydrophobicContact CZ2-CB 3.66Å; W418-N488 PolarHBondContact NE1-OD1 3.44Å; W418-N488 VanDerWaalsContact NE1-OD1 3.1Å
419R93.9Very high93.5Very high76 Ų7630.2 Ų30.229%0.28714%0.142SC..Hα-helixtrans-87.6-31.8176.5-76.1172-172.5161.39.9113.3S415 E416 C417 Y426S415-R419 VanDerWaalsContact O-CD 3.22Å; S415-R419 WeakPolarHBondContact O-CD 3.34Å; S415-R419 WeakPolarHBondContact O-CG 3.12Å; S415-R419 PolarHBondContact O-N 3.38Å; E416-R419 WeakPolarHBondContact O-CB 3.34Å; E416-R419 PolarHBondContact O-N 3.19Å; C417-R419 PolarHBondContact O-N 3.28Å; R419-Y426 HydrophobicContact CB-CE1 4.47Å; R419-Y426 HydrophobicContact CB-CE2 4.43Å; R419-Y426 HydrophobicContact CG-CD2 4.04Å; R419-Y426 HydrophobicContact CG-CE1 4.01Å; R419-Y426 HydrophobicContact CG-CE2 3.52Å; R419-Y426 VanDerWaalsContact CG-CZ 3.49Å
420S92.5Very high93.8Very high12 Ų1232.3 Ų32.38%0.08415%0.15CC..Hα-helixtrans-116.1-11.6-163-69.10000113.9A406 E416 C417 R423A406-S420 PolarHBondContact N-O 2.99Å; A406-S420 VanDerWaalsContact N-O 3.08Å; E416-S420 WeakPolarHBondContact O-CB 3.22Å; E416-S420 PolarHBondContact O-N 3.16Å; C417-S420 PolarHBondContact O-N 3.16Å; S420-R423 PolarHBondContact O-NH1 3.49Å
421F92.9Very high94Very high36 Ų3630.8 Ų30.816%0.15815%0.146CC..SBendtrans-76.2-68.7171.3-172.2-99.9000110.6L337 Y341 P405 L408 C417L337-F421 HydrophobicContact CD2-CE1 4.4Å; L337-F421 HydrophobicContact CD2-CE2 4.47Å; L337-F421 HydrophobicContact CD2-CZ 3.82Å; L337-F421 HydrophobicContact CG-CZ 3.97Å; Y341-F421 HydrophobicContact CD2-CZ 4.23Å; Y341-F421 HydrophobicContact CG-CE1 4.46Å; Y341-F421 HydrophobicContact CG-CZ 4.17Å; P405-F421 WeakPolarHBondContact CA-O 3.46Å; P405-F421 HydrophobicContact CB-CD2 3.9Å; P405-F421 HydrophobicContact CB-CE2 4.14Å; P405-F421 HydrophobicContact CB-CG 4.46Å; P405-F421 WeakPolarHBondContact CB-O 3.48Å; L408-F421 HydrophobicContact CD1-CD2 4.47Å; L408-F421 HydrophobicContact CD1-CE2 4.05Å; L408-F421 HydrophobicContact CD2-CD2 3.78Å; L408-F421 HydrophobicContact CD2-CE2 4.17Å; L408-F421 HydrophobicContact CG-CD2 4.14Å; L408-F421 HydrophobicContact CG-CE2 4.19Å; C417-F421 VanDerWaalsContact O-CB 3.29Å; C417-F421 WeakPolarHBondContact O-CB 3.21Å; C417-F421 PolarHBondContact O-N 3.44Å
422D94.4Very high94.2Very high28 Ų2830.5 Ų30.515%0.1514%0.144CC..SBendtrans-106.985.2174.3-171.5-14.5000111Y345 G424 L425 Y426Y345-D422 PolarHBondContact OH-OD2 3.3Å; D422-G424 VanDerWaalsContact C-N 3.25Å; D422-G424 PolarHBondContact O-N 3.2Å; D422-G424 PolarHBondContact OD1-N 2.81Å; D422-G424 VanDerWaalsContact OD1-N 3.15Å; D422-L425 HydrophobicContact CB-CB 4.27Å; D422-L425 VanDerWaalsContact CG-CB 3.41Å; D422-L425 PolarHBondContact OD1-N 3.41Å; D422-L425 WeakPolarHBondContact OD2-CB 3.42Å; D422-Y426 WeakPolarHBondContact O-CB 3.42Å; D422-Y426 PolarHBondContact O-N 3.08Å
423R94.6Very high94.3Very high37 Ų3729.6 Ų29.614%0.1414%0.139CC..Hα-helixtrans-64.1-30.5-180-68-174.5-177.384.1-15.2112.4P402 E403 P404 S420 N427P402-R423 HydrophobicContact CB-CB 3.78Å; E403-R423 VanDerWaalsContact CB-CZ 3.46Å; E403-R423 PolarHBondContact O-NH1 2.64Å; E403-R423 IonicContact OE2-CZ 3.57Å; E403-R423 IonicContact OE2-NE 2.67Å; E403-R423 IonicContact OE2-NH2 3.46Å; E403-R423 PolarHBondContact OE2-NH2 3.45Å; P404-R423 PolarHBondContact O-NH1 3.15Å; S420-R423 PolarHBondContact O-NH1 3.49Å; R423-N427 VanDerWaalsContact O-CB 3.3Å; R423-N427 WeakPolarHBondContact O-CB 3.24Å; R423-N427 PolarHBondContact O-N 3Å; R423-N427 PolarHBondContact O-ND2 2.6Å
424G94Very high94.3Very high1 Ų130 Ų301%0.0114%0.139CC..Hα-helixtrans-68.7-55.2-178.300000111.1L235 D422 Y426 N427 F428L235-G424 WeakPolarHBondContact O-CA 2.86Å; D422-G424 VanDerWaalsContact C-N 3.25Å; D422-G424 PolarHBondContact O-N 3.2Å; D422-G424 PolarHBondContact OD1-N 2.81Å; D422-G424 VanDerWaalsContact OD1-N 3.15Å; G424-Y426 VanDerWaalsContact C-N 3.34Å; G424-Y426 PolarHBondContact O-N 3.38Å; G424-N427 PolarHBondContact O-N 3.38Å; G424-F428 PolarHBondContact O-N 3.36Å; G424-F428 VanDerWaalsContact O-N 3.07Å
425L95.3Very high94.3Very high13 Ų1332.2 Ų32.27%0.06815%0.151CC..Hα-helixtrans-62.8-40.9176-17660.5000111.6D422 N427 F428 I429 F470 Y474D422-L425 HydrophobicContact CB-CB 4.27Å; D422-L425 VanDerWaalsContact CG-CB 3.41Å; D422-L425 PolarHBondContact OD1-N 3.41Å; D422-L425 WeakPolarHBondContact OD2-CB 3.42Å; L425-N427 VanDerWaalsContact C-N 3.34Å; L425-N427 PolarHBondContact O-N 3.21Å; L425-F428 WeakPolarHBondContact O-CB 3.29Å; L425-F428 PolarHBondContact O-N 3.42Å; L425-I429 HydrophobicContact CD1-CD1 4.12Å; L425-I429 HydrophobicContact CD1-CG1 4.33Å; L425-I429 HydrophobicContact CG-CD1 3.83Å; L425-I429 HydrophobicContact CG-CG1 4.47Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 3.26Å; L425-F470 HydrophobicContact CD1-CE1 4.24Å; L425-Y474 HydrophobicContact CD2-CD1 4.2Å; L425-Y474 HydrophobicContact CD2-CE1 4.23Å
426Y96.1Very high94.2Very high65 Ų6534.6 Ų34.626%0.25517%0.166SC..Hα-helixtrans-57.3-45.7174.4173.3-100.4000112.1R419 D422 G424 F428 I429 K430R419-Y426 HydrophobicContact CB-CE1 4.47Å; R419-Y426 HydrophobicContact CB-CE2 4.43Å; R419-Y426 HydrophobicContact CG-CD2 4.04Å; R419-Y426 HydrophobicContact CG-CE1 4.01Å; R419-Y426 HydrophobicContact CG-CE2 3.52Å; R419-Y426 VanDerWaalsContact CG-CZ 3.49Å; D422-Y426 WeakPolarHBondContact O-CB 3.42Å; D422-Y426 PolarHBondContact O-N 3.08Å; G424-Y426 VanDerWaalsContact C-N 3.34Å; G424-Y426 PolarHBondContact O-N 3.38Å; Y426-F428 VanDerWaalsContact C-N 3.31Å; Y426-F428 PolarHBondContact O-N 2.78Å; Y426-I429 PolarHBondContact O-N 3.37Å; Y426-K430 HydrophobicContact CE1-CB 4.48Å; Y426-K430 HydrophobicContact CE1-CD 3.87Å; Y426-K430 WeakPolarHBondContact O-CB 3.48Å; Y426-K430 PolarHBondContact O-N 3Å
427N94.4Very high94.1Very high52 Ų5235.9 Ų35.928%0.27817%0.174SC..Hα-helixtrans-64.8-35.9178.7-76.2-30.5000112.1L237 R423 G424 L425 S431L237-N427 HydrophobicContact CD1-CB 4.23Å; R423-N427 VanDerWaalsContact O-CB 3.3Å; R423-N427 WeakPolarHBondContact O-CB 3.24Å; R423-N427 PolarHBondContact O-N 3Å; R423-N427 PolarHBondContact O-ND2 2.6Å; G424-N427 PolarHBondContact O-N 3.38Å; L425-N427 VanDerWaalsContact C-N 3.34Å; L425-N427 PolarHBondContact O-N 3.21Å; N427-S431 WeakPolarHBondContact O-CB 3.34Å; N427-S431 PolarHBondContact O-N 3.15Å; N427-S431 PolarHBondContact O-OG 3.09Å
428F95.7Very high94Very high0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-62.5-56.6174.8179.9-81.9000111.1W143 L182 L185 L189 L235 L237 G424 L425 Y426 K430 S431 Y432 F470W143-F428 HydrophobicContact CH2-CE1 4.15Å; W143-F428 HydrophobicContact CH2-CZ 4.44Å; L182-F428 HydrophobicContact CD2-CE1 4.24Å; L182-F428 HydrophobicContact CD2-CE2 4.42Å; L182-F428 HydrophobicContact CD2-CZ 4.16Å; L185-F428 HydrophobicContact CB-CZ 4.48Å; L185-F428 HydrophobicContact CD2-CE1 4.45Å; L185-F428 HydrophobicContact CD2-CZ 3.69Å; L185-F428 HydrophobicContact CG-CE2 4.47Å; L185-F428 HydrophobicContact CG-CZ 3.9Å; L189-F428 HydrophobicContact CD1-CZ 4.44Å; L235-F428 HydrophobicContact CD2-CB 3.58Å; L235-F428 HydrophobicContact CD2-CD2 3.63Å; L235-F428 HydrophobicContact CD2-CG 3.76Å; L237-F428 VanDerWaalsContact CD2-CA 3.48Å; L237-F428 HydrophobicContact CD2-CB 3.72Å; L237-F428 HydrophobicContact CD2-CD2 3.98Å; L237-F428 HydrophobicContact CD2-CG 4.31Å; G424-F428 PolarHBondContact O-N 3.36Å; G424-F428 VanDerWaalsContact O-N 3.07Å; L425-F428 WeakPolarHBondContact O-CB 3.29Å; L425-F428 PolarHBondContact O-N 3.42Å; Y426-F428 VanDerWaalsContact C-N 3.31Å; Y426-F428 PolarHBondContact O-N 2.78Å; F428-K430 VanDerWaalsContact C-N 3.3Å; F428-K430 PolarHBondContact O-N 2.78Å; F428-S431 PolarHBondContact O-N 3.16Å; F428-S431 VanDerWaalsContact O-N 3.16Å; F428-Y432 HydrophobicContact CD1-CD2 4.22Å; F428-Y432 AromaticContact CD2-CD2 3.46Å; F428-Y432 HydrophobicContact CD2-CD2 3.46Å; F428-Y432 VanDerWaalsContact CD2-CD2 3.46Å; F428-Y432 AromaticContact CD2-CE2 3.57Å; F428-Y432 HydrophobicContact CD2-CE2 3.57Å; F428-Y432 HydrophobicContact CE1-CD2 4.21Å; F428-Y432 AromaticContact CE2-CD2 3.49Å; F428-Y432 HydrophobicContact CE2-CD2 3.49Å; F428-Y432 VanDerWaalsContact CE2-CD2 3.49Å; F428-Y432 AromaticContact CE2-CE2 3.68Å; F428-Y432 HydrophobicContact CE2-CE2 3.68Å; F428-Y432 AromaticContact CG-CD2 3.83Å; F428-Y432 HydrophobicContact CG-CD2 3.83Å; F428-Y432 HydrophobicContact CG-CE2 4.3Å; F428-Y432 AromaticContact CZ-CD2 3.85Å; F428-Y432 HydrophobicContact CZ-CD2 3.85Å; F428-Y432 HydrophobicContact CZ-CE2 4.46Å; F428-Y432 WeakPolarHBondContact O-CB 3.41Å; F428-Y432 WeakPolarHBondContact O-CD2 3.5Å; F428-Y432 PolarHBondContact O-N 3.44Å; F428-F470 AromaticContact CD1-CE1 3.72Å; F428-F470 HydrophobicContact CD1-CE1 3.72Å; F428-F470 HydrophobicContact CD1-CZ 4.05Å; F428-F470 HydrophobicContact CE1-CD1 4.39Å; F428-F470 AromaticContact CE1-CE1 3.48Å; F428-F470 HydrophobicContact CE1-CE1 3.48Å; F428-F470 VanDerWaalsContact CE1-CE1 3.48Å; F428-F470 HydrophobicContact CE1-CE2 4.18Å; F428-F470 AromaticContact CE1-CZ 3.34Å; F428-F470 HydrophobicContact CE1-CZ 3.34Å; F428-F470 HydrophobicContact CZ-CZ 4.06Å
429I96.6Very high93.7Very high19 Ų1941.3 Ų41.310%0.09720%0.198CC..Hα-helixtrans-57.1-46.4178.8-67.8167.7000110.4L425 Y426 S431 I433 F434 S467 F470 V471L425-I429 HydrophobicContact CD1-CD1 4.12Å; L425-I429 HydrophobicContact CD1-CG1 4.33Å; L425-I429 HydrophobicContact CG-CD1 3.83Å; L425-I429 HydrophobicContact CG-CG1 4.47Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 3.26Å; Y426-I429 PolarHBondContact O-N 3.37Å; I429-S431 PolarHBondContact O-N 3.14Å; I429-I433 WeakPolarHBondContact O-CA 3.23Å; I429-I433 WeakPolarHBondContact O-CB 3.3Å; I429-I433 PolarHBondContact O-N 2.89Å; I429-F434 PolarHBondContact O-N 3.21Å; I429-S467 VanDerWaalsContact CG2-OG 3.32Å; I429-S467 WeakPolarHBondContact CG2-OG 3.21Å; I429-F470 HydrophobicContact CD1-CD1 4.45Å; I429-F470 HydrophobicContact CG1-CD1 3.94Å; I429-F470 HydrophobicContact CG1-CE1 4.35Å; I429-V471 HydrophobicContact CD1-CG2 3.38Å
430K95.1Very high93.1Very high84 Ų8444.4 Ų44.437%0.36521%0.214SC..Iπ-helixtrans-58.3-47.7178.4-179.1-176174.4-170.80111.7Y426 F428 I435Y426-K430 HydrophobicContact CE1-CB 4.48Å; Y426-K430 HydrophobicContact CE1-CD 3.87Å; Y426-K430 WeakPolarHBondContact O-CB 3.48Å; Y426-K430 PolarHBondContact O-N 3Å; F428-K430 VanDerWaalsContact C-N 3.3Å; F428-K430 PolarHBondContact O-N 2.78Å; K430-I435 HydrophobicContact CG-CD1 3.87Å; K430-I435 HydrophobicContact CG-CG1 4.23Å; K430-I435 WeakPolarHBondContact O-CB 3.46Å; K430-I435 VanDerWaalsContact O-CG1 3.25Å; K430-I435 WeakPolarHBondContact O-CG1 3.29Å; K430-I435 PolarHBondContact O-N 3.43Å
431S93.3Very high92.3Very high27 Ų2749.7 Ų49.719%0.18924%0.241CC..Iπ-helixtrans-78.1-32.4-170.8-590000113.5L237 N427 F428 I429 P436L237-S431 WeakPolarHBondContact CD1-OG 3.16Å; N427-S431 WeakPolarHBondContact O-CB 3.34Å; N427-S431 PolarHBondContact O-N 3.15Å; N427-S431 PolarHBondContact O-OG 3.09Å; F428-S431 PolarHBondContact O-N 3.16Å; F428-S431 VanDerWaalsContact O-N 3.16Å; I429-S431 PolarHBondContact O-N 3.14Å; S431-P436 WeakPolarHBondContact O-CD 3.46Å
432Y94.3Very high91.2Very high13 Ų1350.9 Ų50.95%0.05125%0.251CS..Iπ-helixtrans-111-18.6-170.6-63.7-47.5000115S186 L189 S190 L237 F428 P436S186-Y432 PolarHBondContact O-OH 3.47Å; S186-Y432 PolarHBondContact OG-OH 2.59Å; L189-Y432 HydrophobicContact CB-CD1 3.72Å; L189-Y432 HydrophobicContact CB-CE1 3.8Å; L189-Y432 HydrophobicContact CB-CG 4.28Å; L189-Y432 HydrophobicContact CD1-CD1 4.02Å; L189-Y432 HydrophobicContact CD1-CD2 4.11Å; L189-Y432 HydrophobicContact CD1-CG 3.72Å; S190-Y432 PolarHBondContact OG-OH 2.94Å; S190-Y432 VanDerWaalsContact OG-OH 3.05Å; L237-Y432 HydrophobicContact CD2-CE2 3.82Å; F428-Y432 HydrophobicContact CD1-CD2 4.22Å; F428-Y432 AromaticContact CD2-CD2 3.46Å; F428-Y432 HydrophobicContact CD2-CD2 3.46Å; F428-Y432 VanDerWaalsContact CD2-CD2 3.46Å; F428-Y432 AromaticContact CD2-CE2 3.57Å; F428-Y432 HydrophobicContact CD2-CE2 3.57Å; F428-Y432 HydrophobicContact CE1-CD2 4.21Å; F428-Y432 AromaticContact CE2-CD2 3.49Å; F428-Y432 HydrophobicContact CE2-CD2 3.49Å; F428-Y432 VanDerWaalsContact CE2-CD2 3.49Å; F428-Y432 AromaticContact CE2-CE2 3.68Å; F428-Y432 HydrophobicContact CE2-CE2 3.68Å; F428-Y432 AromaticContact CG-CD2 3.83Å; F428-Y432 HydrophobicContact CG-CD2 3.83Å; F428-Y432 HydrophobicContact CG-CE2 4.3Å; F428-Y432 AromaticContact CZ-CD2 3.85Å; F428-Y432 HydrophobicContact CZ-CD2 3.85Å; F428-Y432 HydrophobicContact CZ-CE2 4.46Å; F428-Y432 WeakPolarHBondContact O-CB 3.41Å; F428-Y432 WeakPolarHBondContact O-CD2 3.5Å; F428-Y432 PolarHBondContact O-N 3.44Å; Y432-P436 WeakPolarHBondContact O-CG 3.46Å
433I95.1Very high89.9Confident13 Ų1352.7 Ų52.77%0.06727%0.266CS..Iπ-helixtrans-118.2-63.7178.6-58.6168.1000109.6W143 I429 P436 V437 L466 F470W143-I433 HydrophobicContact CH2-CD1 3.75Å; W143-I433 HydrophobicContact CH2-CG1 3.54Å; W143-I433 HydrophobicContact CZ2-CD1 4.26Å; W143-I433 HydrophobicContact CZ2-CG1 3.53Å; W143-I433 HydrophobicContact CZ3-CD1 4.39Å; W143-I433 HydrophobicContact CZ3-CG1 4.49Å; I429-I433 WeakPolarHBondContact O-CA 3.23Å; I429-I433 WeakPolarHBondContact O-CB 3.3Å; I429-I433 PolarHBondContact O-N 2.89Å; I433-P436 WeakPolarHBondContact O-CD 3.39Å; I433-V437 WeakPolarHBondContact O-CG2 3.47Å; I433-V437 PolarHBondContact O-N 2.88Å; I433-L466 HydrophobicContact CG2-CB 3.84Å; I433-F470 HydrophobicContact CD1-CB 3.43Å; I433-F470 VanDerWaalsContact CD1-CB 3.43Å; I433-F470 HydrophobicContact CD1-CD1 3.78Å; I433-F470 HydrophobicContact CD1-CD2 4.1Å; I433-F470 HydrophobicContact CD1-CG 3.48Å; I433-F470 VanDerWaalsContact CD1-CG 3.48Å
434F94.7Very high88.5Confident47 Ų4755.1 Ų55.121%0.20629%0.288CS..Iπ-helixtrans-62.8-53.6-169.8-171-88.6000112.5I429 M438 A463 L464I429-F434 PolarHBondContact O-N 3.21Å; F434-M438 HydrophobicContact CD1-CG 4Å; F434-M438 HydrophobicContact CE1-CG 3.69Å; F434-M438 HydrophobicContact CZ-CG 4.04Å; F434-M438 HydrophobicContact CZ-SD 4.44Å; F434-M438 VanDerWaalsContact O-CB 3.31Å; F434-M438 WeakPolarHBondContact O-CB 3.3Å; F434-M438 WeakPolarHBondContact O-CG 3.48Å; F434-M438 PolarHBondContact O-N 3.46Å; F434-A463 HydrophobicContact CD2-CB 3.74Å; F434-A463 HydrophobicContact CE2-CB 3.84Å; F434-A463 HydrophobicContact CG-CB 4.35Å; F434-L464 HydrophobicContact CD2-CD2 4.19Å; F434-L464 HydrophobicContact CE2-CD2 3.79Å; F434-L464 HydrophobicContact CE2-CG 4.07Å
435I92.7Very high87.2Confident60 Ų6061.4 Ų61.431%0.30832%0.322SS..Hα-helixtrans-64.7-47-179.3-70.2170000111.8K430 V437 M438 K439K430-I435 HydrophobicContact CG-CD1 3.87Å; K430-I435 HydrophobicContact CG-CG1 4.23Å; K430-I435 WeakPolarHBondContact O-CB 3.46Å; K430-I435 VanDerWaalsContact O-CG1 3.25Å; K430-I435 WeakPolarHBondContact O-CG1 3.29Å; K430-I435 PolarHBondContact O-N 3.43Å; I435-V437 PolarHBondContact O-N 3.43Å; I435-M438 CarbonylContact O-C 3.6Å; I435-M438 WeakPolarHBondContact O-CA 3.38Å; I435-M438 WeakPolarHBondContact O-CB 3.32Å; I435-M438 PolarHBondContact O-N 2.98Å; I435-M438 VanDerWaalsContact O-N 3.11Å; I435-K439 HydrophobicContact CG2-CD 4.27Å; I435-K439 HydrophobicContact CG2-CG 4.34Å; I435-K439 WeakPolarHBondContact O-CG 3.49Å; I435-K439 PolarHBondContact O-N 2.99Å
436P91.2Very high85.8Confident57 Ų5768.5 Ų68.537%0.3735%0.349SS..Hα-helixtrans-55.8-46.7176.3-31.740.1000113.7S431 Y432 I433 M438 K439 F440S431-P436 WeakPolarHBondContact O-CD 3.46Å; Y432-P436 WeakPolarHBondContact O-CG 3.46Å; I433-P436 WeakPolarHBondContact O-CD 3.39Å; P436-M438 VanDerWaalsContact C-N 3.28Å; P436-M438 PolarHBondContact O-N 2.85Å; P436-K439 PolarHBondContact O-N 3.48Å; P436-F440 PolarHBondContact O-N 2.89Å
437V91.8Very high84.2Confident31 Ų3172 Ų7219%0.18837%0.368CS..Hα-helixtrans-62.4-38.8175.4177.90000110.8I433 I435 K439 F440 K459 L462 A463 L466I433-V437 WeakPolarHBondContact O-CG2 3.47Å; I433-V437 PolarHBondContact O-N 2.88Å; I435-V437 PolarHBondContact O-N 3.43Å; V437-K439 PolarHBondContact O-N 3.47Å; V437-F440 PolarHBondContact O-N 3.36Å; V437-K459 WeakPolarHBondContact O-CE 3.37Å; V437-L462 HydrophobicContact CG1-CD2 4.29Å; V437-L462 HydrophobicContact CG1-CG 4.27Å; V437-A463 HydrophobicContact CB-CB 3.95Å; V437-A463 HydrophobicContact CG1-CB 3.75Å; V437-L466 HydrophobicContact CG2-CD1 3.74Å
438M90.8Very high83.2Confident53 Ų5374.7 Ų74.726%0.26138%0.378SS..Hα-helixtrans-69.9-12.6176.2-73-60.2-52.200114.6F434 I435 P436 K459 K460 A463F434-M438 HydrophobicContact CD1-CG 4Å; F434-M438 HydrophobicContact CE1-CG 3.69Å; F434-M438 HydrophobicContact CZ-CG 4.04Å; F434-M438 HydrophobicContact CZ-SD 4.44Å; F434-M438 VanDerWaalsContact O-CB 3.31Å; F434-M438 WeakPolarHBondContact O-CB 3.3Å; F434-M438 WeakPolarHBondContact O-CG 3.48Å; F434-M438 PolarHBondContact O-N 3.46Å; I435-M438 CarbonylContact O-C 3.6Å; I435-M438 WeakPolarHBondContact O-CA 3.38Å; I435-M438 WeakPolarHBondContact O-CB 3.32Å; I435-M438 PolarHBondContact O-N 2.98Å; I435-M438 VanDerWaalsContact O-N 3.11Å; P436-M438 VanDerWaalsContact C-N 3.28Å; P436-M438 PolarHBondContact O-N 2.85Å; M438-K459 HydrophobicContact CE-CD 4.43Å; M438-K459 WeakPolarHBondContact O-CE 3.28Å; M438-K459 PolarHBondContact O-NZ 3.2Å; M438-K459 HydrophobicContact SD-CD 4.5Å; M438-K459 HydrophobicContact SD-CG 4.07Å; M438-K460 HydrophobicContact CE-CG 3.76Å; M438-K460 HydrophobicContact SD-CB 4.36Å; M438-K460 HydrophobicContact SD-CG 3.74Å; M438-A463 HydrophobicContact CG-CB 4.05Å; M438-A463 HydrophobicContact SD-CB 4.12Å
439K87.6Confident82.3Confident143 Ų14378.8 Ų78.862%0.62241%0.405SS*.Hα-helixtrans-93.6-11.4174.3-75.8-175.3171.1-157.20114I435 P436 V437 D441I435-K439 HydrophobicContact CG2-CD 4.27Å; I435-K439 HydrophobicContact CG2-CG 4.34Å; I435-K439 WeakPolarHBondContact O-CG 3.49Å; I435-K439 PolarHBondContact O-N 2.99Å; P436-K439 PolarHBondContact O-N 3.48Å; V437-K439 PolarHBondContact O-N 3.47Å; K439-D441 PolarHBondContact O-N 3.32Å; K439-D441 VanDerWaalsContact O-N 3.07Å
440F81.4Confident81.3Confident141 Ų14182.9 Ų82.962%0.61843%0.427SS*.  trans-70.2103.2179.4-177.8-95.2000111.3P436 V437 F455 K459P436-F440 PolarHBondContact O-N 2.89Å; V437-F440 PolarHBondContact O-N 3.36Å; F440-F455 HydrophobicContact CD1-CZ 4.31Å; F440-K459 VanDerWaalsContact C-NZ 3.33Å; F440-K459 WeakPolarHBondContact O-CE 3.4Å; F440-K459 PolarHBondContact O-NZ 3.49Å
441D75.7Confident80.5Confident123 Ų12383.1 Ų83.166%0.65843%0.431SS*.PPolyproline II helixtrans-95.7138.2179.4-66.6-27.8000110.8K439 K459K439-D441 PolarHBondContact O-N 3.32Å; K439-D441 VanDerWaalsContact O-N 3.07Å; D441-K459 IonicContact OD1-NZ 3.47Å; D441-K459 PolarHBondContact OD1-NZ 2.88Å
442V69.5Low79.6Confident62 Ų6286.8 Ų86.838%0.37645%0.448SS..PPolyproline II helixtrans-72.4134.9173.6169.70000108S444 Y446 F455V442-S444 PolarHBondContact O-N 2.94Å; V442-Y446 HydrophobicContact CG1-CD2 4.26Å; V442-F455 HydrophobicContact CB-CE1 4.33Å; V442-F455 HydrophobicContact CB-CZ 4.34Å; V442-F455 HydrophobicContact CG2-CD1 4.1Å; V442-F455 HydrophobicContact CG2-CD2 3.77Å; V442-F455 HydrophobicContact CG2-CE1 3.65Å; V442-F455 HydrophobicContact CG2-CE2 3.29Å; V442-F455 HydrophobicContact CG2-CG 4.16Å; V442-F455 HydrophobicContact CG2-CZ 3.24Å
443S68.2Low78.7Confident66 Ų6691.7 Ų91.746%0.46247%0.474SS..PPolyproline II helixtrans-48.2136.9176177.30000110.8N445 Y446S443-N445 PolarHBondContact O-N 2.9Å; S443-Y446 PolarHBondContact O-N 3.08Å; S443-Y446 VanDerWaalsContact O-N 3.1Å
444S65.2Low78.1Confident87 Ų8794.9 Ų94.961%0.60849%0.491SS*.THydrogen-bonded Turntrans-55.8-11.9179.355.20000114.3V442 Y446 Q447V442-S444 PolarHBondContact O-N 2.94Å; S444-Y446 VanDerWaalsContact C-N 3.26Å; S444-Y446 PolarHBondContact O-N 3.34Å; S444-Q447 WeakPolarHBondContact O-CG 3.47Å
445N67.4Low77.5Confident134 Ų13495.3 Ų95.372%0.71749%0.492SS*.THydrogen-bonded Turntrans-73.4-14.3177.6-67.9-4.3000113.5S443S443-N445 PolarHBondContact O-N 2.9Å
446Y64.1Low77.1Confident161 Ų16195 Ų9563%0.63150%0.495SS*.  trans-108.569.9178.9-62.5-79.3000111.5V442 S443 S444 H448V442-Y446 HydrophobicContact CG1-CD2 4.26Å; S443-Y446 PolarHBondContact O-N 3.08Å; S443-Y446 VanDerWaalsContact O-N 3.1Å; S444-Y446 VanDerWaalsContact C-N 3.26Å; S444-Y446 PolarHBondContact O-N 3.34Å; Y446-H448 PolarHBondContact O-N 3.3Å
447Q64.2Low76.7Confident140 Ų14095.9 Ų95.965%0.65450%0.495SS*.  trans-94.646.5177.5-72.5178.5-1.700112.8S444 L452S444-Q447 WeakPolarHBondContact O-CG 3.47Å; Q447-L452 HydrophobicContact CB-CD1 4.46Å
448H72.8Confident76.5Confident108 Ų10899 Ų9950%0.551%0.51SS..  trans-69.7128.6168-163.6-83.7000108.7Y446 L450 L451 L452Y446-H448 PolarHBondContact O-N 3.3Å; H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact ND1-N 3.3Å; H448-L450 PolarHBondContact O-N 3.16Å; H448-L450 VanDerWaalsContact O-N 3.16Å; H448-L451 HydrophobicContact CB-CB 4.19Å; H448-L451 HydrophobicContact CB-CD1 3.84Å; H448-L451 HydrophobicContact CB-CG 4.1Å; H448-L451 WeakPolarHBondContact O-CA 3.28Å; H448-L451 WeakPolarHBondContact O-CB 3.4Å; H448-L451 PolarHBondContact O-N 3.03Å; H448-L452 PolarHBondContact O-N 3.25Å; H448-L452 VanDerWaalsContact O-N 3.13Å
449P76.1Confident76.4Confident86 Ų8697.3 Ų97.356%0.55850%0.501SS*.Hα-helixtrans-54.9-40.5-174-26.332.5000113.4L452 I453P449-L452 PolarHBondContact O-N 3.48Å; P449-I453 PolarHBondContact O-N 2.84Å
450L77Confident76.4Confident105 Ų10595.2 Ų95.255%0.5549%0.492SS..Hα-helixtrans-64.6-38175.8-66.5175.5000112.9H448 L452 I453 I454H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact ND1-N 3.3Å; H448-L450 PolarHBondContact O-N 3.16Å; H448-L450 VanDerWaalsContact O-N 3.16Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 3.5Å; L450-I453 PolarHBondContact O-N 2.71Å; L450-I454 HydrophobicContact CB-CD1 4.41Å; L450-I454 WeakPolarHBondContact O-CB 3.2Å; L450-I454 VanDerWaalsContact O-CG1 3.3Å; L450-I454 WeakPolarHBondContact O-CG1 3.14Å; L450-I454 PolarHBondContact O-N 3.1Å
451L77.5Confident76.9Confident89 Ų8993.4 Ų93.447%0.46648%0.481SS..Hα-helixtrans-65-39.9177.2-77.5171.3000110.5H448 I453 I454 F455H448-L451 HydrophobicContact CB-CB 4.19Å; H448-L451 HydrophobicContact CB-CD1 3.84Å; H448-L451 HydrophobicContact CB-CG 4.1Å; H448-L451 WeakPolarHBondContact O-CA 3.28Å; H448-L451 WeakPolarHBondContact O-CB 3.4Å; H448-L451 PolarHBondContact O-N 3.03Å; L451-I453 PolarHBondContact O-N 3.31Å; L451-I454 PolarHBondContact O-N 2.97Å; L451-F455 WeakPolarHBondContact O-CA 3.36Å; L451-F455 WeakPolarHBondContact O-CB 3.42Å; L451-F455 PolarHBondContact O-N 3.28Å
452L74.1Confident77.7Confident104 Ų10491.8 Ų91.855%0.54547%0.472SS..Hα-helixtrans-62.1-31.7177.9-68.3170.1000113Q447 H448 P449 L450 P456Q447-L452 HydrophobicContact CB-CD1 4.46Å; H448-L452 PolarHBondContact O-N 3.25Å; H448-L452 VanDerWaalsContact O-N 3.13Å; P449-L452 PolarHBondContact O-N 3.48Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 3.5Å; L452-P456 WeakPolarHBondContact O-CD 3.41Å; L452-P456 WeakPolarHBondContact O-CG 3.38Å
453I76.3Confident78.9Confident116 Ų11688.8 Ų88.860%0.59545%0.454SS*.Hα-helixtrans-81.2-45.6177.9-63169000111.4P449 L450 L451P449-I453 PolarHBondContact O-N 2.84Å; L450-I453 PolarHBondContact O-N 2.71Å; L451-I453 PolarHBondContact O-N 3.31Å
454I81.2Confident80.2Confident80 Ų8086 Ų8641%0.4143%0.434SS..Hα-helixtrans-81.5-37.2-171.4-65169.7000111.4L450 L451 I457 I458L450-I454 HydrophobicContact CB-CD1 4.41Å; L450-I454 WeakPolarHBondContact O-CB 3.2Å; L450-I454 VanDerWaalsContact O-CG1 3.3Å; L450-I454 WeakPolarHBondContact O-CG1 3.14Å; L450-I454 PolarHBondContact O-N 3.1Å; L451-I454 PolarHBondContact O-N 2.97Å; I454-I457 WeakPolarHBondContact O-CA 3.41Å; I454-I457 WeakPolarHBondContact O-CB 3.29Å; I454-I457 PolarHBondContact O-N 3.01Å; I454-I458 HydrophobicContact CG2-CD1 3.44Å; I454-I458 VanDerWaalsContact CG2-CD1 3.44Å; I454-I458 HydrophobicContact CG2-CG1 3.74Å; I454-I458 PolarHBondContact O-N 2.96Å
455F83.3Confident81.6Confident55 Ų5584.4 Ų84.424%0.24142%0.42CS..Hα-helixtrans-57.3-44.5-174.3-179.1-101.7000113.5F440 V442 L451 I457 I458 K459F440-F455 HydrophobicContact CD1-CZ 4.31Å; V442-F455 HydrophobicContact CB-CE1 4.33Å; V442-F455 HydrophobicContact CB-CZ 4.34Å; V442-F455 HydrophobicContact CG2-CD1 4.1Å; V442-F455 HydrophobicContact CG2-CD2 3.77Å; V442-F455 HydrophobicContact CG2-CE1 3.65Å; V442-F455 HydrophobicContact CG2-CE2 3.29Å; V442-F455 HydrophobicContact CG2-CG 4.16Å; V442-F455 HydrophobicContact CG2-CZ 3.24Å; L451-F455 WeakPolarHBondContact O-CA 3.36Å; L451-F455 WeakPolarHBondContact O-CB 3.42Å; L451-F455 PolarHBondContact O-N 3.28Å; F455-I457 PolarHBondContact O-N 2.97Å; F455-I458 PolarHBondContact O-N 3.13Å; F455-K459 HydrophobicContact CE1-CD 3.97Å; F455-K459 HydrophobicContact CZ-CD 4.32Å; F455-K459 VanDerWaalsContact O-CB 3.22Å; F455-K459 WeakPolarHBondContact O-CB 3.18Å; F455-K459 PolarHBondContact O-N 2.79Å
456P83.4Confident83Confident55 Ų5581.6 Ų81.636%0.35741%0.405SS..Hα-helixtrans-60.8-30.1175.2-24.434.8000113.9L452 K460L452-P456 WeakPolarHBondContact O-CD 3.41Å; L452-P456 WeakPolarHBondContact O-CG 3.38Å; P456-K460 WeakPolarHBondContact O-CD 3.32Å; P456-K460 VanDerWaalsContact O-CG 3.25Å; P456-K460 WeakPolarHBondContact O-CG 3.41Å; P456-K460 PolarHBondContact O-N 2.97Å
457I83.9Confident84.6Confident75 Ų7574.2 Ų74.239%0.38538%0.377SS..Hα-helixtrans-73.2-53.3176-58.2174.1000108.8I454 F455 K459 K460 W461I454-I457 WeakPolarHBondContact O-CA 3.41Å; I454-I457 WeakPolarHBondContact O-CB 3.29Å; I454-I457 PolarHBondContact O-N 3.01Å; F455-I457 PolarHBondContact O-N 2.97Å; I457-K459 VanDerWaalsContact C-N 3.28Å; I457-K459 PolarHBondContact O-N 3.29Å; I457-K460 WeakPolarHBondContact O-CB 3.27Å; I457-K460 PolarHBondContact O-N 3.48Å; I457-K460 VanDerWaalsContact O-N 3.09Å; I457-W461 PolarHBondContact O-N 3.43Å
458I86Confident86.1Confident97 Ų9768.4 Ų68.450%0.49735%0.349SS..Hα-helixtrans-54.8-45.9177.8-66.8-179.8000110.6I454 F455 K460 W461 L462I454-I458 HydrophobicContact CG2-CD1 3.44Å; I454-I458 VanDerWaalsContact CG2-CD1 3.44Å; I454-I458 HydrophobicContact CG2-CG1 3.74Å; I454-I458 PolarHBondContact O-N 2.96Å; F455-I458 PolarHBondContact O-N 3.13Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 3.43Å; I458-W461 PolarHBondContact O-N 3.4Å; I458-W461 VanDerWaalsContact O-N 3.13Å; I458-L462 VanDerWaalsContact O-CB 3.31Å; I458-L462 WeakPolarHBondContact O-CB 3.48Å; I458-L462 PolarHBondContact O-N 2.88Å
459K89.3Confident87.3Confident17 Ų1766.2 Ų66.27%0.07435%0.346CS..Hα-helixtrans-56.8-45.1178.1-169.4-178.4-166.5-178.60112.2V437 M438 F440 D441 F455 I457 A463V437-K459 WeakPolarHBondContact O-CE 3.37Å; M438-K459 HydrophobicContact CE-CD 4.43Å; M438-K459 WeakPolarHBondContact O-CE 3.28Å; M438-K459 PolarHBondContact O-NZ 3.2Å; M438-K459 HydrophobicContact SD-CD 4.5Å; M438-K459 HydrophobicContact SD-CG 4.07Å; F440-K459 VanDerWaalsContact C-NZ 3.33Å; F440-K459 WeakPolarHBondContact O-CE 3.4Å; F440-K459 PolarHBondContact O-NZ 3.49Å; D441-K459 IonicContact OD1-NZ 3.47Å; D441-K459 PolarHBondContact OD1-NZ 2.88Å; F455-K459 HydrophobicContact CE1-CD 3.97Å; F455-K459 HydrophobicContact CZ-CD 4.32Å; F455-K459 VanDerWaalsContact O-CB 3.22Å; F455-K459 WeakPolarHBondContact O-CB 3.18Å; F455-K459 PolarHBondContact O-N 2.79Å; I457-K459 VanDerWaalsContact C-N 3.28Å; I457-K459 PolarHBondContact O-N 3.29Å; K459-A463 VanDerWaalsContact O-CB 3.29Å; K459-A463 WeakPolarHBondContact O-CB 3.46Å; K459-A463 PolarHBondContact O-N 2.98Å
460K88.4Confident88.2Confident99 Ų9962.6 Ų62.643%0.4332%0.321SS..Hα-helixtrans-66.2-37.7176.7-75.4171.1-173.9171.20112.5M438 P456 I457 I458 L464M438-K460 HydrophobicContact CE-CG 3.76Å; M438-K460 HydrophobicContact SD-CB 4.36Å; M438-K460 HydrophobicContact SD-CG 3.74Å; P456-K460 WeakPolarHBondContact O-CD 3.32Å; P456-K460 VanDerWaalsContact O-CG 3.25Å; P456-K460 WeakPolarHBondContact O-CG 3.41Å; P456-K460 PolarHBondContact O-N 2.97Å; I457-K460 WeakPolarHBondContact O-CB 3.27Å; I457-K460 PolarHBondContact O-N 3.48Å; I457-K460 VanDerWaalsContact O-N 3.09Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 3.43Å; K460-L464 WeakPolarHBondContact O-CG 3.42Å; K460-L464 PolarHBondContact O-N 3.12Å
461W90.3Very high89.1Confident103 Ų10357.7 Ų57.739%0.3930%0.296SS..Hα-helixtrans-70.8-46.5178.6-78.756.6000110.7I457 I458 A463 L464 T465 F493I457-W461 PolarHBondContact O-N 3.43Å; I458-W461 PolarHBondContact O-N 3.4Å; I458-W461 VanDerWaalsContact O-N 3.13Å; W461-A463 PolarHBondContact O-N 3.32Å; W461-L464 WeakPolarHBondContact O-CB 3.5Å; W461-L464 PolarHBondContact O-N 2.94Å; W461-L464 VanDerWaalsContact O-N 3.15Å; W461-T465 PolarHBondContact O-N 2.87Å; W461-T465 PolarHBondContact O-OG1 2.9Å; W461-T465 VanDerWaalsContact O-OG1 3.07Å; W461-F493 HydrophobicContact CB-CE1 4.02Å; W461-F493 HydrophobicContact CB-CZ 4.31Å; W461-F493 AromaticContact CD2-CD1 3.62Å; W461-F493 HydrophobicContact CD2-CD1 3.62Å; W461-F493 HydrophobicContact CD2-CD2 4.38Å; W461-F493 AromaticContact CD2-CE1 3.59Å; W461-F493 HydrophobicContact CD2-CE1 3.59Å; W461-F493 HydrophobicContact CD2-CE2 4.34Å; W461-F493 HydrophobicContact CD2-CG 4.05Å; W461-F493 AromaticContact CD2-CZ 3.97Å; W461-F493 HydrophobicContact CD2-CZ 3.97Å; W461-F493 AromaticContact CE2-CD1 3.82Å; W461-F493 AromaticContact CE3-CD1 3.76Å; W461-F493 HydrophobicContact CE3-CD1 3.76Å; W461-F493 AromaticContact CE3-CD2 3.68Å; W461-F493 HydrophobicContact CE3-CD2 3.68Å; W461-F493 AromaticContact CE3-CE1 3.66Å; W461-F493 HydrophobicContact CE3-CE1 3.66Å; W461-F493 AromaticContact CE3-CE2 3.55Å; W461-F493 HydrophobicContact CE3-CE2 3.55Å; W461-F493 AromaticContact CE3-CG 3.79Å; W461-F493 HydrophobicContact CE3-CG 3.79Å; W461-F493 AromaticContact CE3-CZ 3.55Å; W461-F493 HydrophobicContact CE3-CZ 3.55Å; W461-F493 HydrophobicContact CG-CD1 4.1Å; W461-F493 AromaticContact CG-CE1 3.76Å; W461-F493 HydrophobicContact CG-CE1 3.76Å; W461-F493 HydrophobicContact CG-CZ 4.31Å; W461-F493 HydrophobicContact CH2-CB 3.75Å; W461-F493 HydrophobicContact CH2-CD1 4.29Å; W461-F493 AromaticContact CH2-CD2 3.96Å; W461-F493 HydrophobicContact CH2-CD2 3.96Å; W461-F493 AromaticContact CH2-CG 3.76Å; W461-F493 HydrophobicContact CH2-CG 3.76Å; W461-F493 HydrophobicContact CZ2-CB 3.91Å; W461-F493 HydrophobicContact CZ2-CD1 4.16Å; W461-F493 HydrophobicContact CZ2-CG 4.01Å; W461-F493 HydrophobicContact CZ3-CB 4.14Å; W461-F493 HydrophobicContact CZ3-CD1 4.1Å; W461-F493 AromaticContact CZ3-CD2 3.43Å; W461-F493 HydrophobicContact CZ3-CD2 3.43Å; W461-F493 VanDerWaalsContact CZ3-CD2 3.43Å; W461-F493 HydrophobicContact CZ3-CE1 4.36Å; W461-F493 AromaticContact CZ3-CE2 3.73Å; W461-F493 HydrophobicContact CZ3-CE2 3.73Å; W461-F493 AromaticContact CZ3-CG 3.64Å; W461-F493 HydrophobicContact CZ3-CG 3.64Å; W461-F493 HydrophobicContact CZ3-CZ 4.19Å
462L93.2Very high90Very high88 Ų8855.2 Ų55.246%0.46128%0.283SS..Hα-helixtrans-57.5-47174-179.163.1000111.8V437 I458 L464 T465 L466V437-L462 HydrophobicContact CG1-CD2 4.29Å; V437-L462 HydrophobicContact CG1-CG 4.27Å; I458-L462 VanDerWaalsContact O-CB 3.31Å; I458-L462 WeakPolarHBondContact O-CB 3.48Å; I458-L462 PolarHBondContact O-N 2.88Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 2.69Å; L462-T465 PolarHBondContact O-N 2.95Å; L462-L466 HydrophobicContact CD1-CD1 4.01Å; L462-L466 HydrophobicContact CD1-CG 4.06Å; L462-L466 HydrophobicContact CG-CD1 3.97Å; L462-L466 HydrophobicContact CG-CG 4.41Å; L462-L466 WeakPolarHBondContact O-CB 3.39Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.1Å
463A94.8Very high91Very high0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-59.3-38.1177.600000112.3F434 V437 M438 K459 W461 S467F434-A463 HydrophobicContact CD2-CB 3.74Å; F434-A463 HydrophobicContact CE2-CB 3.84Å; F434-A463 HydrophobicContact CG-CB 4.35Å; V437-A463 HydrophobicContact CB-CB 3.95Å; V437-A463 HydrophobicContact CG1-CB 3.75Å; M438-A463 HydrophobicContact CG-CB 4.05Å; M438-A463 HydrophobicContact SD-CB 4.12Å; K459-A463 VanDerWaalsContact O-CB 3.29Å; K459-A463 WeakPolarHBondContact O-CB 3.46Å; K459-A463 PolarHBondContact O-N 2.98Å; W461-A463 PolarHBondContact O-N 3.32Å; A463-S467 WeakPolarHBondContact O-CB 3.48Å; A463-S467 PolarHBondContact O-N 3.15Å; A463-S467 PolarHBondContact O-OG 3.47Å
464L94.7Very high91.8Very high7 Ų746.5 Ų46.54%0.03724%0.236CC..Hα-helixtrans-70.7-47.9173.9-78.6-176.9000112.4F434 K460 W461 L462 L466 S467 Y468 L489 L492 F493 R496F434-L464 HydrophobicContact CD2-CD2 4.19Å; F434-L464 HydrophobicContact CE2-CD2 3.79Å; F434-L464 HydrophobicContact CE2-CG 4.07Å; K460-L464 WeakPolarHBondContact O-CG 3.42Å; K460-L464 PolarHBondContact O-N 3.12Å; W461-L464 WeakPolarHBondContact O-CB 3.5Å; W461-L464 PolarHBondContact O-N 2.94Å; W461-L464 VanDerWaalsContact O-N 3.15Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 2.69Å; L464-L466 VanDerWaalsContact C-N 3.34Å; L464-L466 PolarHBondContact O-N 3.35Å; L464-S467 VanDerWaalsContact O-CB 3.3Å; L464-S467 WeakPolarHBondContact O-CB 3.32Å; L464-S467 PolarHBondContact O-N 2.91Å; L464-S467 VanDerWaalsContact O-N 3.09Å; L464-Y468 WeakPolarHBondContact O-CD2 3.46Å; L464-Y468 PolarHBondContact O-N 3.41Å; L464-L489 HydrophobicContact CB-CD1 3.87Å; L464-L492 HydrophobicContact CD1-CD2 3.71Å; L464-L492 HydrophobicContact CD1-CG 3.94Å; L464-L492 HydrophobicContact CD2-CD2 3.46Å; L464-L492 VanDerWaalsContact CD2-CD2 3.46Å; L464-L492 HydrophobicContact CD2-CG 4.5Å; L464-L492 HydrophobicContact CG-CD2 4.19Å; L464-F493 HydrophobicContact CB-CE1 3.9Å; L464-F493 HydrophobicContact CB-CZ 4.4Å; L464-F493 HydrophobicContact CD1-CD1 3.81Å; L464-F493 HydrophobicContact CD1-CE1 3.59Å; L464-F493 HydrophobicContact CG-CE1 4.39Å; L464-R496 VanDerWaalsContact CG-NH1 3.33Å
465T96.1Very high92.2Very high54 Ų5445.8 Ų45.833%0.33123%0.231SC..Hα-helixtrans-57.2-49.3179.6-58.30000110.4W461 L462 S467 Y468 S469W461-T465 PolarHBondContact O-N 2.87Å; W461-T465 PolarHBondContact O-OG1 2.9Å; W461-T465 VanDerWaalsContact O-OG1 3.07Å; L462-T465 PolarHBondContact O-N 2.95Å; T465-S467 VanDerWaalsContact C-N 3.28Å; T465-S467 PolarHBondContact O-N 3.25Å; T465-Y468 PolarHBondContact O-N 2.96Å; T465-Y468 VanDerWaalsContact O-N 3.16Å; T465-S469 WeakPolarHBondContact O-CB 3.49Å; T465-S469 PolarHBondContact O-N 3.04Å; T465-S469 PolarHBondContact O-OG 3.44Å
466L96.2Very high92.6Very high74 Ų7443.7 Ų43.739%0.38723%0.225SC..Hα-helixtrans-60.8-37.4176.7-69174.4000112.6I433 V437 L462 L464 S469 F470I433-L466 HydrophobicContact CG2-CB 3.84Å; V437-L466 HydrophobicContact CG2-CD1 3.74Å; L462-L466 HydrophobicContact CD1-CD1 4.01Å; L462-L466 HydrophobicContact CD1-CG 4.06Å; L462-L466 HydrophobicContact CG-CD1 3.97Å; L462-L466 HydrophobicContact CG-CG 4.41Å; L462-L466 WeakPolarHBondContact O-CB 3.39Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.1Å; L464-L466 VanDerWaalsContact C-N 3.34Å; L464-L466 PolarHBondContact O-N 3.35Å; L466-S469 PolarHBondContact O-N 2.91Å; L466-F470 PolarHBondContact O-N 3.47Å
467S97Very high93Very high6 Ų645.8 Ų45.84%0.04223%0.232CC..Hα-helixtrans-61.4-45.8175.3-65.40000111.7I429 A463 L464 T465 F470 V471I429-S467 VanDerWaalsContact CG2-OG 3.32Å; I429-S467 WeakPolarHBondContact CG2-OG 3.21Å; A463-S467 WeakPolarHBondContact O-CB 3.48Å; A463-S467 PolarHBondContact O-N 3.15Å; A463-S467 PolarHBondContact O-OG 3.47Å; L464-S467 VanDerWaalsContact O-CB 3.3Å; L464-S467 WeakPolarHBondContact O-CB 3.32Å; L464-S467 PolarHBondContact O-N 2.91Å; L464-S467 VanDerWaalsContact O-N 3.09Å; T465-S467 VanDerWaalsContact C-N 3.28Å; T465-S467 PolarHBondContact O-N 3.25Å; S467-F470 PolarHBondContact O-N 3.23Å; S467-V471 WeakPolarHBondContact O-CG2 3.4Å; S467-V471 PolarHBondContact O-N 3.48Å
468Y96.7Very high93.3Very high18 Ų1845.4 Ų45.47%0.07123%0.231CC..Hα-helixtrans-76.2-31.6179.6-83.1-105000112.6W418 L464 T465 F470 V471 L472 L485 N488 L489 L492W418-Y468 VanDerWaalsContact CD1-OH 3.28Å; W418-Y468 HydrophobicContact CD2-CE1 4.32Å; W418-Y468 AromaticContact CE2-CE1 3.84Å; W418-Y468 HydrophobicContact CH2-CE1 4.04Å; W418-Y468 AromaticContact CZ2-CE1 3.71Å; W418-Y468 HydrophobicContact CZ2-CE1 3.71Å; W418-Y468 HydrophobicContact CZ3-CE1 4.48Å; W418-Y468 PolarHBondContact NE1-OH 3.25Å; L464-Y468 WeakPolarHBondContact O-CD2 3.46Å; L464-Y468 PolarHBondContact O-N 3.41Å; T465-Y468 PolarHBondContact O-N 2.96Å; T465-Y468 VanDerWaalsContact O-N 3.16Å; Y468-F470 VanDerWaalsContact C-N 3.29Å; Y468-F470 PolarHBondContact O-N 2.99Å; Y468-V471 PolarHBondContact O-N 3.43Å; Y468-L472 PolarHBondContact O-N 3.39Å; Y468-L485 HydrophobicContact CD1-CB 4.24Å; Y468-L485 HydrophobicContact CD1-CD2 3.84Å; Y468-L485 HydrophobicContact CE1-CD2 4.34Å; Y468-N488 HydrophobicContact CE1-CB 3.89Å; Y468-L489 HydrophobicContact CD1-CB 4.09Å; Y468-L489 HydrophobicContact CD2-CD1 3.82Å; Y468-L489 HydrophobicContact CE1-CB 4.44Å; Y468-L489 HydrophobicContact CE2-CD1 4.22Å; Y468-L489 HydrophobicContact CG-CB 4.17Å; Y468-L489 HydrophobicContact CG-CD1 4.11Å; Y468-L492 HydrophobicContact CE2-CD2 3.81Å
469S96.8Very high93.7Very high62 Ų6248 Ų4843%0.43424%0.239SC..Hα-helixtrans-62.5-37.2171.2-63.20000111.7T465 L466 L472 L473T465-S469 WeakPolarHBondContact O-CB 3.49Å; T465-S469 PolarHBondContact O-N 3.04Å; T465-S469 PolarHBondContact O-OG 3.44Å; L466-S469 PolarHBondContact O-N 2.91Å; S469-L472 WeakPolarHBondContact O-CB 3.44Å; S469-L472 PolarHBondContact O-N 2.95Å; S469-L473 PolarHBondContact O-N 3.2Å
470F96.5Very high93.9Very high10 Ų1048.7 Ų48.74%0.04424%0.244CC..Hα-helixtrans-66.3-38.9172.9177.1-101.4000112.5W143 F150 L182 L185 L425 F428 I429 I433 L466 S467 Y468 L472 L473 Y474W143-F470 HydrophobicContact CH2-CD2 4.28Å; W143-F470 HydrophobicContact CH2-CE2 4.24Å; W143-F470 AromaticContact CZ3-CD2 3.7Å; W143-F470 HydrophobicContact CZ3-CD2 3.7Å; W143-F470 AromaticContact CZ3-CE2 3.67Å; W143-F470 HydrophobicContact CZ3-CE2 3.67Å; F150-F470 HydrophobicContact CE2-CE2 4.11Å; F150-F470 HydrophobicContact CZ-CE2 4.47Å; F150-F470 HydrophobicContact CZ-CZ 4.49Å; L182-F470 HydrophobicContact CD2-CE1 4.03Å; L182-F470 HydrophobicContact CD2-CZ 3.48Å; L182-F470 VanDerWaalsContact CD2-CZ 3.48Å; L185-F470 HydrophobicContact CD2-CE2 4.29Å; L425-F470 HydrophobicContact CD1-CE1 4.24Å; F428-F470 AromaticContact CD1-CE1 3.72Å; F428-F470 HydrophobicContact CD1-CE1 3.72Å; F428-F470 HydrophobicContact CD1-CZ 4.05Å; F428-F470 HydrophobicContact CE1-CD1 4.39Å; F428-F470 AromaticContact CE1-CE1 3.48Å; F428-F470 HydrophobicContact CE1-CE1 3.48Å; F428-F470 VanDerWaalsContact CE1-CE1 3.48Å; F428-F470 HydrophobicContact CE1-CE2 4.18Å; F428-F470 AromaticContact CE1-CZ 3.34Å; F428-F470 HydrophobicContact CE1-CZ 3.34Å; F428-F470 HydrophobicContact CZ-CZ 4.06Å; I429-F470 HydrophobicContact CD1-CD1 4.45Å; I429-F470 HydrophobicContact CG1-CD1 3.94Å; I429-F470 HydrophobicContact CG1-CE1 4.35Å; I433-F470 HydrophobicContact CD1-CB 3.43Å; I433-F470 VanDerWaalsContact CD1-CB 3.43Å; I433-F470 HydrophobicContact CD1-CD1 3.78Å; I433-F470 HydrophobicContact CD1-CD2 4.1Å; I433-F470 HydrophobicContact CD1-CG 3.48Å; I433-F470 VanDerWaalsContact CD1-CG 3.48Å; L466-F470 PolarHBondContact O-N 3.47Å; S467-F470 PolarHBondContact O-N 3.23Å; Y468-F470 VanDerWaalsContact C-N 3.29Å; Y468-F470 PolarHBondContact O-N 2.99Å; F470-L472 VanDerWaalsContact C-N 3.29Å; F470-L472 PolarHBondContact O-N 3.31Å; F470-L473 HydrophobicContact CD2-CD2 4.45Å; F470-L473 PolarHBondContact O-N 2.82Å; F470-Y474 WeakPolarHBondContact O-CB 3.37Å; F470-Y474 PolarHBondContact O-N 3Å
471V96.4Very high94.2Very high3 Ų344.6 Ų44.62%0.01823%0.227CC..Hα-helixtrans-64-37.2174.3179.70000111W418 I429 S467 Y468 Y474 H475 W484 L485W418-V471 HydrophobicContact CZ3-CG1 4.43Å; I429-V471 HydrophobicContact CD1-CG2 3.38Å; S467-V471 WeakPolarHBondContact O-CG2 3.4Å; S467-V471 PolarHBondContact O-N 3.48Å; Y468-V471 PolarHBondContact O-N 3.43Å; V471-Y474 PolarHBondContact O-N 3.31Å; V471-H475 PolarHBondContact O-CD2 2.95Å; V471-H475 PolarHBondContact O-N 3.43Å; V471-W484 HydrophobicContact CG1-CH2 4.2Å; V471-W484 HydrophobicContact CG1-CZ3 4.37Å; V471-L485 HydrophobicContact CB-CD1 4.22Å; V471-L485 HydrophobicContact CB-CD2 4.06Å; V471-L485 HydrophobicContact CG1-CD1 4.03Å; V471-L485 HydrophobicContact CG1-CD2 3.53Å; V471-L485 HydrophobicContact CG1-CG 4.44Å
472L95.9Very high94.6Very high36 Ų3641.2 Ų41.219%0.18822%0.221CC..Hα-helixtrans-63.4-45.8174.7-17959.3000111.3Y468 S469 F470 Y474 G476 I477 N481 A482 L485Y468-L472 PolarHBondContact O-N 3.39Å; S469-L472 WeakPolarHBondContact O-CB 3.44Å; S469-L472 PolarHBondContact O-N 2.95Å; F470-L472 VanDerWaalsContact C-N 3.29Å; F470-L472 PolarHBondContact O-N 3.31Å; L472-Y474 VanDerWaalsContact C-N 3.3Å; L472-Y474 PolarHBondContact O-N 3.46Å; L472-G476 CarbonylContact O-C 3.56Å; L472-G476 PolarHBondContact O-N 3.5Å; L472-G476 VanDerWaalsContact O-O 3.12Å; L472-I477 HydrophobicContact CD2-CG2 4.47Å; L472-I477 HydrophobicContact CG-CG1 4.41Å; L472-N481 HydrophobicContact CD1-CB 3.71Å; L472-A482 HydrophobicContact CD1-CB 4.23Å; L472-A482 HydrophobicContact CD2-CB 4.42Å; L472-L485 HydrophobicContact CB-CD1 3.49Å; L472-L485 VanDerWaalsContact CB-CD1 3.49Å; L472-L485 HydrophobicContact CD1-CD1 3.99Å; L472-L485 HydrophobicContact CG-CD1 4.32Å; L472-L485 VanDerWaalsContact N-CD1 3.28Å
473L94.6Very high94.7Very high13 Ų1339.5 Ų39.57%0.06821%0.211CC..Hα-helixtrans-60.8-40.1174.5176.870.3000112.1V147 F150 Q151 S469 F470 I477V147-L473 HydrophobicContact CB-CD2 4.3Å; V147-L473 HydrophobicContact CG1-CD1 4.34Å; V147-L473 HydrophobicContact CG1-CD2 4.4Å; V147-L473 HydrophobicContact CG2-CD2 3.79Å; F150-L473 HydrophobicContact CB-CD1 3.87Å; F150-L473 HydrophobicContact CB-CD2 4.18Å; F150-L473 HydrophobicContact CB-CG 3.91Å; F150-L473 HydrophobicContact CD2-CD2 3.98Å; F150-L473 HydrophobicContact CD2-CG 4.39Å; F150-L473 HydrophobicContact CG-CD2 4.23Å; F150-L473 HydrophobicContact CG-CG 4.15Å; Q151-L473 HydrophobicContact CG-CD1 4.09Å; S469-L473 PolarHBondContact O-N 3.2Å; F470-L473 HydrophobicContact CD2-CD2 4.45Å; F470-L473 PolarHBondContact O-N 2.82Å; L473-I477 HydrophobicContact CD1-CD1 4.12Å
474Y93.4Very high94.8Very high25 Ų2540.2 Ų40.210%0.09821%0.214CC..Hα-helixtrans-70.6-36.2-177.5171.8-114.2000113.4F150 F178 L182 L425 F470 V471 L472F150-Y474 AromaticContact CE1-CD2 3.96Å; F150-Y474 HydrophobicContact CE1-CD2 3.96Å; F178-Y474 HydrophobicContact CB-CE2 3.91Å; L182-Y474 HydrophobicContact CD1-CD2 3.73Å; L182-Y474 HydrophobicContact CD1-CE2 3.21Å; L182-Y474 HydrophobicContact CD2-CD2 4.4Å; L182-Y474 HydrophobicContact CG-CD2 4.14Å; L182-Y474 HydrophobicContact CG-CE2 3.96Å; L425-Y474 HydrophobicContact CD2-CD1 4.2Å; L425-Y474 HydrophobicContact CD2-CE1 4.23Å; F470-Y474 WeakPolarHBondContact O-CB 3.37Å; F470-Y474 PolarHBondContact O-N 3Å; V471-Y474 PolarHBondContact O-N 3.31Å; L472-Y474 VanDerWaalsContact C-N 3.3Å; L472-Y474 PolarHBondContact O-N 3.46Å
475H90.4Very high94.9Very high64 Ų6440.1 Ų40.130%0.29621%0.214SC..Hα-helixtrans-92.3-4.8-178-77.7-69000114.5V471 N481 W484V471-H475 PolarHBondContact O-CD2 2.95Å; V471-H475 PolarHBondContact O-N 3.43Å; H475-N481 PolarHBondContact O-ND2 3.3Å; H475-W484 AromaticContact CD2-CH2 3.95Å; H475-W484 AromaticContact CD2-CZ3 3.86Å
476G89.9Confident94.9Very high11 Ų1140.6 Ų40.611%0.11322%0.219CC..  trans105.5127.4-170.600000112.7E154 L472 D478 N481E154-G476 VanDerWaalsContact OE1-CA 3.25Å; E154-G476 WeakPolarHBondContact OE1-CA 3.07Å; L472-G476 CarbonylContact O-C 3.56Å; L472-G476 PolarHBondContact O-N 3.5Å; L472-G476 VanDerWaalsContact O-O 3.12Å; G476-D478 VanDerWaalsContact C-N 3.29Å; G476-D478 PolarHBondContact O-N 3.03Å; G476-N481 WeakPolarHBondContact O-CB 3.27Å; G476-N481 PolarHBondContact O-ND2 3.44Å
477I91.6Very high95Very high100 Ų10038.9 Ų38.951%0.51321%0.212SC..SBendtrans-80.777.8175.4-50.5-179.4000109.5L472 L473L472-I477 HydrophobicContact CD2-CG2 4.47Å; L472-I477 HydrophobicContact CG-CG1 4.41Å; L473-I477 HydrophobicContact CD1-CD1 4.12Å
478D91.1Very high94.9Very high66 Ų6638.6 Ų38.635%0.35321%0.21SC..  trans-123.1166173.67776.5000112.6G476 T480 N481 A482G476-D478 VanDerWaalsContact C-N 3.29Å; G476-D478 PolarHBondContact O-N 3.03Å; D478-T480 VanDerWaalsContact C-N 3.28Å; D478-T480 PolarHBondContact O-N 3.47Å; D478-T480 VanDerWaalsContact OD1-CA 3.26Å; D478-T480 WeakPolarHBondContact OD1-CA 3.45Å; D478-T480 WeakPolarHBondContact OD1-CB 3.43Å; D478-T480 PolarHBondContact OD1-N 2.77Å; D478-N481 PolarHBondContact O-N 3.47Å; D478-N481 PolarHBondContact OD1-N 3.49Å; D478-N481 VanDerWaalsContact OD2-CG 3.24Å; D478-N481 PolarHBondContact OD2-ND2 3.13Å; D478-A482 VanDerWaalsContact O-CB 3.29Å; D478-A482 WeakPolarHBondContact O-CB 3.47Å; D478-A482 PolarHBondContact O-N 3.19Å
479K94Very high94.9Very high153 Ų15338.8 Ų38.867%0.66521%0.212SC*.Hα-helixtrans-58.9-38.7-177.1-178.1176.8178.6177.20112.7I483K479-I483 HydrophobicContact CG-CD1 3.99Å; K479-I483 WeakPolarHBondContact O-CD1 3.49Å; K479-I483 VanDerWaalsContact O-CG1 3.28Å; K479-I483 WeakPolarHBondContact O-CG1 3.5Å; K479-I483 PolarHBondContact O-N 3.22Å; K479-I483 VanDerWaalsContact O-N 3.12Å
480T94.6Very high94.9Very high30 Ų3040.5 Ų40.518%0.18422%0.216CC..Hα-helixtrans-68.3-49.4-177.8-57.30000110.2D478 A482 I483 W484 H541 S546D478-T480 VanDerWaalsContact C-N 3.28Å; D478-T480 PolarHBondContact O-N 3.47Å; D478-T480 VanDerWaalsContact OD1-CA 3.26Å; D478-T480 WeakPolarHBondContact OD1-CA 3.45Å; D478-T480 WeakPolarHBondContact OD1-CB 3.43Å; D478-T480 PolarHBondContact OD1-N 2.77Å; T480-A482 VanDerWaalsContact C-N 3.35Å; T480-A482 PolarHBondContact O-N 3.05Å; T480-I483 PolarHBondContact O-N 2.95Å; T480-W484 PolarHBondContact O-N 2.96Å; T480-W484 VanDerWaalsContact O-N 3.09Å; T480-H541 HydrophobicContact CG2-CB 3.84Å; T480-H541 WeakPolarHBondContact CG2-O 3.42Å; T480-S546 PolarHBondContact OG1-OG 2.83Å
481N95.1Very high94.9Very high14 Ų1440.5 Ų40.58%0.07522%0.216CC..Hα-helixtrans-64-39.1176.6-75.8-16.7000112.3L472 H475 G476 D478 I483 W484 L485L472-N481 HydrophobicContact CD1-CB 3.71Å; H475-N481 PolarHBondContact O-ND2 3.3Å; G476-N481 WeakPolarHBondContact O-CB 3.27Å; G476-N481 PolarHBondContact O-ND2 3.44Å; D478-N481 PolarHBondContact O-N 3.47Å; D478-N481 PolarHBondContact OD1-N 3.49Å; D478-N481 VanDerWaalsContact OD2-CG 3.24Å; D478-N481 PolarHBondContact OD2-ND2 3.13Å; N481-I483 PolarHBondContact O-N 2.88Å; N481-W484 PolarHBondContact O-N 2.96Å; N481-L485 WeakPolarHBondContact O-CB 3.46Å; N481-L485 WeakPolarHBondContact O-CG 3.48Å; N481-L485 PolarHBondContact O-N 2.95Å
482A96.7Very high94.8Very high31 Ų3140.8 Ų40.826%0.25622%0.218SC..Hα-helixtrans-61.6-43.8177.500000112.4L472 D478 T480 S486L472-A482 HydrophobicContact CD1-CB 4.23Å; L472-A482 HydrophobicContact CD2-CB 4.42Å; D478-A482 VanDerWaalsContact O-CB 3.29Å; D478-A482 WeakPolarHBondContact O-CB 3.47Å; D478-A482 PolarHBondContact O-N 3.19Å; T480-A482 VanDerWaalsContact C-N 3.35Å; T480-A482 PolarHBondContact O-N 3.05Å; A482-S486 WeakPolarHBondContact O-CB 2.99Å; A482-S486 PolarHBondContact O-N 3.21Å; A482-S486 PolarHBondContact O-OG 2.9Å
483I96.3Very high94.7Very high52 Ų5239.8 Ų39.827%0.26721%0.212SC..Hα-helixtrans-67-44.3177.4-66.1165.3000110.7K479 T480 N481 L485 S486 T487K479-I483 HydrophobicContact CG-CD1 3.99Å; K479-I483 WeakPolarHBondContact O-CD1 3.49Å; K479-I483 VanDerWaalsContact O-CG1 3.28Å; K479-I483 WeakPolarHBondContact O-CG1 3.5Å; K479-I483 PolarHBondContact O-N 3.22Å; K479-I483 VanDerWaalsContact O-N 3.12Å; T480-I483 PolarHBondContact O-N 2.95Å; N481-I483 PolarHBondContact O-N 2.88Å; I483-L485 PolarHBondContact O-N 3.28Å; I483-S486 PolarHBondContact O-N 3.09Å; I483-T487 WeakPolarHBondContact O-CB 3.5Å; I483-T487 PolarHBondContact O-N 3.5Å; I483-T487 PolarHBondContact O-OG1 3.38Å
484W97Very high94.7Very high15 Ų1545.5 Ų45.56%0.05724%0.236CC..Hα-helixtrans-55.6-51.5177.3161.652.7000112.1W418 V471 H475 T480 N481 N488 G538 N539 H541 F542W418-W484 AromaticContact CH2-CE2 3.93Å; W418-W484 AromaticContact CH2-CH2 3.97Å; W418-W484 HydrophobicContact CH2-CH2 3.97Å; W418-W484 AromaticContact CH2-CZ2 3.38Å; W418-W484 HydrophobicContact CH2-CZ2 3.38Å; W418-W484 HydrophobicContact CZ2-CZ2 4.04Å; W418-W484 HydrophobicContact CZ3-CZ2 4.24Å; V471-W484 HydrophobicContact CG1-CH2 4.2Å; V471-W484 HydrophobicContact CG1-CZ3 4.37Å; H475-W484 AromaticContact CD2-CH2 3.95Å; H475-W484 AromaticContact CD2-CZ3 3.86Å; T480-W484 PolarHBondContact O-N 2.96Å; T480-W484 VanDerWaalsContact O-N 3.09Å; N481-W484 PolarHBondContact O-N 2.96Å; W484-N488 PolarHBondContact NE1-ND2 3.2Å; W484-N488 PolarHBondContact O-N 3.35Å; W484-N488 VanDerWaalsContact O-N 3.13Å; W484-N488 PolarHBondContact O-ND2 2.92Å; W484-G538 WeakPolarHBondContact CA-O 3.18Å; W484-N539 PolarHBondContact NE1-OD1 3.49Å; W484-H541 HydrophobicContact CB-CB 4.29Å; W484-F542 HydrophobicContact CB-CB 4.07Å; W484-F542 HydrophobicContact CD2-CB 3.65Å; W484-F542 AromaticContact CD2-CD2 3.98Å; W484-F542 HydrophobicContact CD2-CD2 3.98Å; W484-F542 AromaticContact CD2-CG 3.94Å; W484-F542 HydrophobicContact CD2-CG 3.94Å; W484-F542 HydrophobicContact CE3-CB 4.07Å; W484-F542 AromaticContact CE3-CD2 3.58Å; W484-F542 HydrophobicContact CE3-CD2 3.58Å; W484-F542 HydrophobicContact CE3-CE2 4.33Å; W484-F542 HydrophobicContact CE3-CG 4.04Å; W484-F542 HydrophobicContact CG-CB 3.62Å; W484-F542 HydrophobicContact CG-CG 4.43Å; W484-F542 AromaticContact CH2-CD2 3.97Å; W484-F542 HydrophobicContact CH2-CD2 3.97Å; W484-F542 HydrophobicContact CH2-CE2 4.02Å; W484-F542 HydrophobicContact CH2-CG 4.4Å; W484-F542 HydrophobicContact CH2-CZ 4.49Å; W484-F542 HydrophobicContact CZ2-CD2 4.31Å; W484-F542 HydrophobicContact CZ2-CG 4.29Å; W484-F542 AromaticContact CZ3-CD2 3.58Å; W484-F542 HydrophobicContact CZ3-CD2 3.58Å; W484-F542 AromaticContact CZ3-CE2 3.86Å; W484-F542 HydrophobicContact CZ3-CE2 3.86Å; W484-F542 HydrophobicContact CZ3-CG 4.28Å
485L97Very high94.8Very high5 Ų545.3 Ų45.33%0.02624%0.236CC..Hα-helixtrans-71.8-40.1-177.1-69.4169.7000111.9W418 Y468 V471 L472 N481 I483 T487 N488 L489W418-L485 HydrophobicContact CH2-CD2 3.64Å; W418-L485 HydrophobicContact CZ2-CD2 4.32Å; W418-L485 HydrophobicContact CZ3-CD2 4.47Å; Y468-L485 HydrophobicContact CD1-CB 4.24Å; Y468-L485 HydrophobicContact CD1-CD2 3.84Å; Y468-L485 HydrophobicContact CE1-CD2 4.34Å; V471-L485 HydrophobicContact CB-CD1 4.22Å; V471-L485 HydrophobicContact CB-CD2 4.06Å; V471-L485 HydrophobicContact CG1-CD1 4.03Å; V471-L485 HydrophobicContact CG1-CD2 3.53Å; V471-L485 HydrophobicContact CG1-CG 4.44Å; L472-L485 HydrophobicContact CB-CD1 3.49Å; L472-L485 VanDerWaalsContact CB-CD1 3.49Å; L472-L485 HydrophobicContact CD1-CD1 3.99Å; L472-L485 HydrophobicContact CG-CD1 4.32Å; L472-L485 VanDerWaalsContact N-CD1 3.28Å; N481-L485 WeakPolarHBondContact O-CB 3.46Å; N481-L485 WeakPolarHBondContact O-CG 3.48Å; N481-L485 PolarHBondContact O-N 2.95Å; I483-L485 PolarHBondContact O-N 3.28Å; L485-T487 VanDerWaalsContact C-N 3.34Å; L485-T487 PolarHBondContact O-N 3.11Å; L485-N488 PolarHBondContact O-N 3.14Å; L485-L489 VanDerWaalsContact O-CB 3.24Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 PolarHBondContact O-N 3.1Å
486S96.5Very high94.9Very high64 Ų6445.6 Ų45.645%0.44824%0.235SC..Hα-helixtrans-62-42.7176.2-60.30000111.5A482 I483 L489 L490A482-S486 WeakPolarHBondContact O-CB 2.99Å; A482-S486 PolarHBondContact O-N 3.21Å; A482-S486 PolarHBondContact O-OG 2.9Å; I483-S486 PolarHBondContact O-N 3.09Å; S486-L489 PolarHBondContact O-N 3.19Å; S486-L490 WeakPolarHBondContact O-CB 3.34Å; S486-L490 VanDerWaalsContact O-CG 3.29Å; S486-L490 WeakPolarHBondContact O-CG 3.2Å; S486-L490 PolarHBondContact O-N 3.32Å
487T96.5Very high94.9Very high38 Ų3847.1 Ų47.123%0.23324%0.244CC..Hα-helixtrans-61.3-48176.9-55.90000111I483 L485 L489 L490 L491I483-T487 WeakPolarHBondContact O-CB 3.5Å; I483-T487 PolarHBondContact O-N 3.5Å; I483-T487 PolarHBondContact O-OG1 3.38Å; L485-T487 VanDerWaalsContact C-N 3.34Å; L485-T487 PolarHBondContact O-N 3.11Å; T487-L489 PolarHBondContact O-N 3.39Å; T487-L490 PolarHBondContact O-N 3.12Å; T487-L491 HydrophobicContact CG2-CD1 4.24Å; T487-L491 VanDerWaalsContact O-CG 3.28Å; T487-L491 WeakPolarHBondContact O-CG 3.36Å; T487-L491 PolarHBondContact O-N 3.04Å
488N96Very high95Very high1 Ų145.6 Ų45.61%0.00524%0.239CC..Hα-helixtrans-65.9-37.3178.3-83.2-81.5000112.9W418 Y468 W484 L485 L491 L492 N539W418-N488 HydrophobicContact CZ2-CB 3.66Å; W418-N488 PolarHBondContact NE1-OD1 3.44Å; W418-N488 VanDerWaalsContact NE1-OD1 3.1Å; Y468-N488 HydrophobicContact CE1-CB 3.89Å; W484-N488 PolarHBondContact NE1-ND2 3.2Å; W484-N488 PolarHBondContact O-N 3.35Å; W484-N488 VanDerWaalsContact O-N 3.13Å; W484-N488 PolarHBondContact O-ND2 2.92Å; L485-N488 PolarHBondContact O-N 3.14Å; N488-L491 PolarHBondContact O-N 3.34Å; N488-L492 WeakPolarHBondContact O-CB 3.41Å; N488-L492 PolarHBondContact O-N 3.24Å; N488-N539 PolarHBondContact ND2-OD1 3.17Å
489L96.6Very high95Very high22 Ų2245.9 Ų45.912%0.11524%0.237CC..Hα-helixtrans-64.3-45.7176.2179.160.5000111.4L464 Y468 L485 S486 T487 L491 L492 F493L464-L489 HydrophobicContact CB-CD1 3.87Å; Y468-L489 HydrophobicContact CD1-CB 4.09Å; Y468-L489 HydrophobicContact CD2-CD1 3.82Å; Y468-L489 HydrophobicContact CE1-CB 4.44Å; Y468-L489 HydrophobicContact CE2-CD1 4.22Å; Y468-L489 HydrophobicContact CG-CB 4.17Å; Y468-L489 HydrophobicContact CG-CD1 4.11Å; L485-L489 VanDerWaalsContact O-CB 3.24Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 PolarHBondContact O-N 3.1Å; S486-L489 PolarHBondContact O-N 3.19Å; T487-L489 PolarHBondContact O-N 3.39Å; L489-L491 PolarHBondContact O-N 3Å; L489-L492 WeakPolarHBondContact O-CB 3.24Å; L489-L492 PolarHBondContact O-N 2.65Å; L489-F493 HydrophobicContact CD1-CE1 3.94Å; L489-F493 HydrophobicContact CD1-CE2 3.86Å; L489-F493 HydrophobicContact CD1-CZ 3.52Å; L489-F493 HydrophobicContact CD2-CE2 4.08Å; L489-F493 HydrophobicContact CD2-CZ 4.21Å; L489-F493 HydrophobicContact CG-CD2 4.24Å; L489-F493 HydrophobicContact CG-CE2 3.6Å; L489-F493 HydrophobicContact CG-CZ 3.8Å; L489-F493 WeakPolarHBondContact O-CD2 3.39Å; L489-F493 WeakPolarHBondContact O-CG 3.47Å; L489-F493 PolarHBondContact O-N 2.62Å
490L96.6Very high94.8Very high97 Ų9744.8 Ų44.851%0.50823%0.229SC..Hα-helixtrans-59.8-46175.1-73172.2000111.4S486 T487 L492 F493 F494S486-L490 WeakPolarHBondContact O-CB 3.34Å; S486-L490 VanDerWaalsContact O-CG 3.29Å; S486-L490 WeakPolarHBondContact O-CG 3.2Å; S486-L490 PolarHBondContact O-N 3.32Å; T487-L490 PolarHBondContact O-N 3.12Å; L490-L492 VanDerWaalsContact C-N 3.28Å; L490-L492 PolarHBondContact O-N 3.49Å; L490-F493 WeakPolarHBondContact O-CB 3.5Å; L490-F493 PolarHBondContact O-N 3.18Å; L490-F493 VanDerWaalsContact O-N 3.15Å; L490-F494 WeakPolarHBondContact O-CD2 3.37Å; L490-F494 PolarHBondContact O-N 3.23Å
491L96.6Very high94.7Very high10 Ų1046.6 Ų46.65%0.05224%0.237CC..Hα-helixtrans-60.7-38.1176.3-69.4172000112.2I414 T487 N488 L489 F494 E495 L534I414-L491 HydrophobicContact CG1-CB 4.34Å; T487-L491 HydrophobicContact CG2-CD1 4.24Å; T487-L491 VanDerWaalsContact O-CG 3.28Å; T487-L491 WeakPolarHBondContact O-CG 3.36Å; T487-L491 PolarHBondContact O-N 3.04Å; N488-L491 PolarHBondContact O-N 3.34Å; L489-L491 PolarHBondContact O-N 3Å; L491-F494 PolarHBondContact O-N 3.06Å; L491-E495 WeakPolarHBondContact O-CB 3.48Å; L491-E495 PolarHBondContact O-N 3.32Å; L491-L534 HydrophobicContact CD1-CB 4.04Å; L491-L534 HydrophobicContact CD2-CB 3.81Å; L491-L534 HydrophobicContact CD2-CD1 3.89Å; L491-L534 HydrophobicContact CG-CB 4.47Å
492L94.9Very high94.5Very high9 Ų950 Ų505%0.04725%0.249CC..Hα-helixtrans-67.9-36.3176-173.961.5000112.3L464 Y468 N488 L489 L490 R496L464-L492 HydrophobicContact CD1-CD2 3.71Å; L464-L492 HydrophobicContact CD1-CG 3.94Å; L464-L492 HydrophobicContact CD2-CD2 3.46Å; L464-L492 VanDerWaalsContact CD2-CD2 3.46Å; L464-L492 HydrophobicContact CD2-CG 4.5Å; L464-L492 HydrophobicContact CG-CD2 4.19Å; Y468-L492 HydrophobicContact CE2-CD2 3.81Å; N488-L492 WeakPolarHBondContact O-CB 3.41Å; N488-L492 PolarHBondContact O-N 3.24Å; L489-L492 WeakPolarHBondContact O-CB 3.24Å; L489-L492 PolarHBondContact O-N 2.65Å; L490-L492 VanDerWaalsContact C-N 3.28Å; L490-L492 PolarHBondContact O-N 3.49Å; L492-R496 WeakPolarHBondContact O-CG 3.38Å; L492-R496 PolarHBondContact O-N 2.91Å; L492-R496 VanDerWaalsContact O-N 3.08Å
493F94.2Very high94.3Very high15 Ų1557 Ų577%0.06627%0.269CS..Hα-helixtrans-62.8-47.4170.9-67.1-36.2000111.2W461 L464 L489 L490 E495 R496 S497W461-F493 HydrophobicContact CB-CE1 4.02Å; W461-F493 HydrophobicContact CB-CZ 4.31Å; W461-F493 AromaticContact CD2-CD1 3.62Å; W461-F493 HydrophobicContact CD2-CD1 3.62Å; W461-F493 HydrophobicContact CD2-CD2 4.38Å; W461-F493 AromaticContact CD2-CE1 3.59Å; W461-F493 HydrophobicContact CD2-CE1 3.59Å; W461-F493 HydrophobicContact CD2-CE2 4.34Å; W461-F493 HydrophobicContact CD2-CG 4.05Å; W461-F493 AromaticContact CD2-CZ 3.97Å; W461-F493 HydrophobicContact CD2-CZ 3.97Å; W461-F493 AromaticContact CE2-CD1 3.82Å; W461-F493 AromaticContact CE3-CD1 3.76Å; W461-F493 HydrophobicContact CE3-CD1 3.76Å; W461-F493 AromaticContact CE3-CD2 3.68Å; W461-F493 HydrophobicContact CE3-CD2 3.68Å; W461-F493 AromaticContact CE3-CE1 3.66Å; W461-F493 HydrophobicContact CE3-CE1 3.66Å; W461-F493 AromaticContact CE3-CE2 3.55Å; W461-F493 HydrophobicContact CE3-CE2 3.55Å; W461-F493 AromaticContact CE3-CG 3.79Å; W461-F493 HydrophobicContact CE3-CG 3.79Å; W461-F493 AromaticContact CE3-CZ 3.55Å; W461-F493 HydrophobicContact CE3-CZ 3.55Å; W461-F493 HydrophobicContact CG-CD1 4.1Å; W461-F493 AromaticContact CG-CE1 3.76Å; W461-F493 HydrophobicContact CG-CE1 3.76Å; W461-F493 HydrophobicContact CG-CZ 4.31Å; W461-F493 HydrophobicContact CH2-CB 3.75Å; W461-F493 HydrophobicContact CH2-CD1 4.29Å; W461-F493 AromaticContact CH2-CD2 3.96Å; W461-F493 HydrophobicContact CH2-CD2 3.96Å; W461-F493 AromaticContact CH2-CG 3.76Å; W461-F493 HydrophobicContact CH2-CG 3.76Å; W461-F493 HydrophobicContact CZ2-CB 3.91Å; W461-F493 HydrophobicContact CZ2-CD1 4.16Å; W461-F493 HydrophobicContact CZ2-CG 4.01Å; W461-F493 HydrophobicContact CZ3-CB 4.14Å; W461-F493 HydrophobicContact CZ3-CD1 4.1Å; W461-F493 AromaticContact CZ3-CD2 3.43Å; W461-F493 HydrophobicContact CZ3-CD2 3.43Å; W461-F493 VanDerWaalsContact CZ3-CD2 3.43Å; W461-F493 HydrophobicContact CZ3-CE1 4.36Å; W461-F493 AromaticContact CZ3-CE2 3.73Å; W461-F493 HydrophobicContact CZ3-CE2 3.73Å; W461-F493 AromaticContact CZ3-CG 3.64Å; W461-F493 HydrophobicContact CZ3-CG 3.64Å; W461-F493 HydrophobicContact CZ3-CZ 4.19Å; L464-F493 HydrophobicContact CB-CE1 3.9Å; L464-F493 HydrophobicContact CB-CZ 4.4Å; L464-F493 HydrophobicContact CD1-CD1 3.81Å; L464-F493 HydrophobicContact CD1-CE1 3.59Å; L464-F493 HydrophobicContact CG-CE1 4.39Å; L489-F493 HydrophobicContact CD1-CE1 3.94Å; L489-F493 HydrophobicContact CD1-CE2 3.86Å; L489-F493 HydrophobicContact CD1-CZ 3.52Å; L489-F493 HydrophobicContact CD2-CE2 4.08Å; L489-F493 HydrophobicContact CD2-CZ 4.21Å; L489-F493 HydrophobicContact CG-CD2 4.24Å; L489-F493 HydrophobicContact CG-CE2 3.6Å; L489-F493 HydrophobicContact CG-CZ 3.8Å; L489-F493 WeakPolarHBondContact O-CD2 3.39Å; L489-F493 WeakPolarHBondContact O-CG 3.47Å; L489-F493 PolarHBondContact O-N 2.62Å; L490-F493 WeakPolarHBondContact O-CB 3.5Å; L490-F493 PolarHBondContact O-N 3.18Å; L490-F493 VanDerWaalsContact O-N 3.15Å; F493-E495 PolarHBondContact O-N 2.81Å; F493-R496 PolarHBondContact O-N 3.27Å; F493-S497 WeakPolarHBondContact O-CB 3.18Å; F493-S497 PolarHBondContact O-N 3.1Å; F493-S497 PolarHBondContact O-OG 3.06Å
494F94.4Very high93.9Very high133 Ų13362.3 Ų62.358%0.58329%0.287SS*.Hα-helixtrans-58.7-46.4175-78.2-66.5000112.3L490 L491 R496 S497 V498L490-F494 WeakPolarHBondContact O-CD2 3.37Å; L490-F494 PolarHBondContact O-N 3.23Å; L491-F494 PolarHBondContact O-N 3.06Å; F494-R496 VanDerWaalsContact C-N 3.28Å; F494-R496 PolarHBondContact O-N 3.24Å; F494-S497 PolarHBondContact O-N 3.3Å; F494-V498 WeakPolarHBondContact O-CB 3.49Å; F494-V498 VanDerWaalsContact O-CG2 3.31Å; F494-V498 WeakPolarHBondContact O-CG2 3.39Å; F494-V498 PolarHBondContact O-N 2.96Å
495E94.9Very high93.6Very high22 Ų2263.3 Ų63.310%0.10329%0.294CS..Hα-helixtrans-56.5-43.8178.1-167.9-163.8125.900111.4L413 I414 S415 L491 F493 K499L413-E495 HydrophobicContact CD2-CG 4.15Å; I414-E495 PolarHBondContact N-OE2 3.18Å; S415-E495 VanDerWaalsContact CB-OE1 3.3Å; S415-E495 WeakPolarHBondContact CB-OE1 3.39Å; S415-E495 WeakPolarHBondContact CB-OE2 3.49Å; S415-E495 PolarHBondContact N-OE2 2.79Å; S415-E495 PolarHBondContact OG-OE1 3.04Å; S415-E495 PolarHBondContact OG-OE2 3.3Å; L491-E495 WeakPolarHBondContact O-CB 3.48Å; L491-E495 PolarHBondContact O-N 3.32Å; F493-E495 PolarHBondContact O-N 2.81Å; E495-K499 HydrophobicContact CG-CD 4.39Å; E495-K499 WeakPolarHBondContact O-CB 3.44Å; E495-K499 VanDerWaalsContact O-CG 3.27Å; E495-K499 WeakPolarHBondContact O-CG 3.39Å; E495-K499 PolarHBondContact O-N 3.31Å; E495-K499 VanDerWaalsContact O-N 3.14Å; E495-K499 IonicContact OE1-NZ 3.56Å; E495-K499 PolarHBondContact OE1-NZ 3.42Å
496R91.4Very high93.5Very high70 Ų7069.7 Ų69.726%0.26433%0.329SS..Hα-helixtrans-69.8-43178.2-74-178.9173.6-1661.6112.2L464 L492 F493 F494 K499 W500L464-R496 VanDerWaalsContact CG-NH1 3.33Å; L492-R496 WeakPolarHBondContact O-CG 3.38Å; L492-R496 PolarHBondContact O-N 2.91Å; L492-R496 VanDerWaalsContact O-N 3.08Å; F493-R496 PolarHBondContact O-N 3.27Å; F494-R496 VanDerWaalsContact C-N 3.28Å; F494-R496 PolarHBondContact O-N 3.24Å; R496-K499 PolarHBondContact O-N 2.83Å; R496-W500 WeakPolarHBondContact O-CB 3.47Å; R496-W500 PolarHBondContact O-N 3.45Å
497S90.9Very high93.3Very high43 Ų4371.8 Ų71.830%0.30133%0.333SS..Hα-helixtrans-62.9-46.9178.9-64.70000111.3F493 F494 K499 W500 I501F493-S497 WeakPolarHBondContact O-CB 3.18Å; F493-S497 PolarHBondContact O-N 3.1Å; F493-S497 PolarHBondContact O-OG 3.06Å; F494-S497 PolarHBondContact O-N 3.3Å; S497-K499 PolarHBondContact O-N 3.29Å; S497-W500 PolarHBondContact O-N 3.47Å; S497-W500 VanDerWaalsContact O-N 3.16Å; S497-I501 VanDerWaalsContact O-CG1 3.29Å; S497-I501 WeakPolarHBondContact O-CG1 3.41Å; S497-I501 PolarHBondContact O-N 2.8Å
498V93.4Very high93Very high67 Ų6770.1 Ų70.141%0.40632%0.324SS..Hα-helixtrans-60.3-46.2176.4171.80000111F494 W500 I501 Y502 L527F494-V498 WeakPolarHBondContact O-CB 3.49Å; F494-V498 VanDerWaalsContact O-CG2 3.31Å; F494-V498 WeakPolarHBondContact O-CG2 3.39Å; F494-V498 PolarHBondContact O-N 2.96Å; V498-W500 VanDerWaalsContact C-N 3.29Å; V498-W500 PolarHBondContact O-N 3.12Å; V498-I501 PolarHBondContact O-N 3.45Å; V498-Y502 WeakPolarHBondContact O-CB 3.48Å; V498-Y502 PolarHBondContact O-N 2.94Å; V498-L527 HydrophobicContact CG1-CD1 4.05Å
499K91.9Very high92.7Very high73 Ų7373.5 Ų73.532%0.31735%0.348SS..Hα-helixtrans-62.6-35.6176.3-76.6174.3178.3175.40112.8L413 E495 R496 S497 R503L413-K499 VanDerWaalsContact CD1-NZ 3.25Å; E495-K499 HydrophobicContact CG-CD 4.39Å; E495-K499 WeakPolarHBondContact O-CB 3.44Å; E495-K499 VanDerWaalsContact O-CG 3.27Å; E495-K499 WeakPolarHBondContact O-CG 3.39Å; E495-K499 PolarHBondContact O-N 3.31Å; E495-K499 VanDerWaalsContact O-N 3.14Å; E495-K499 IonicContact OE1-NZ 3.56Å; E495-K499 PolarHBondContact OE1-NZ 3.42Å; R496-K499 PolarHBondContact O-N 2.83Å; S497-K499 PolarHBondContact O-N 3.29Å; K499-R503 WeakPolarHBondContact O-CB 3.41Å; K499-R503 VanDerWaalsContact O-CG 3.29Å; K499-R503 WeakPolarHBondContact O-CG 3.24Å; K499-R503 PolarHBondContact O-N 3.27Å
500W89.8Confident92.6Very high129 Ų12976.8 Ų76.849%0.48936%0.362SS..Hα-helixtrans-70.3-47.9177.3178.987.1000111.1R496 S497 V498 Y502 R503 Y504 T505R496-W500 WeakPolarHBondContact O-CB 3.47Å; R496-W500 PolarHBondContact O-N 3.45Å; S497-W500 PolarHBondContact O-N 3.47Å; S497-W500 VanDerWaalsContact O-N 3.16Å; V498-W500 VanDerWaalsContact C-N 3.29Å; V498-W500 PolarHBondContact O-N 3.12Å; W500-Y502 VanDerWaalsContact C-N 3.31Å; W500-Y502 PolarHBondContact O-N 3.47Å; W500-R503 PolarHBondContact O-N 3.38Å; W500-R503 VanDerWaalsContact O-N 3.14Å; W500-Y504 HydrophobicContact CB-CD2 4.47Å; W500-Y504 AromaticContact CD1-CD2 3.33Å; W500-Y504 AromaticContact CD1-CE2 3.91Å; W500-Y504 AromaticContact CG-CD2 3.95Å; W500-Y504 HydrophobicContact CG-CD2 3.95Å; W500-Y504 AromaticContact NE1-CD2 3.69Å; W500-Y504 WeakPolarHBondContact O-CD2 3.35Å; W500-Y504 PolarHBondContact O-N 2.9Å; W500-T505 HydrophobicContact CE3-CG2 4.23Å; W500-T505 HydrophobicContact CH2-CG2 3.88Å; W500-T505 HydrophobicContact CZ3-CG2 3.63Å
501I91.3Very high92.4Very high68 Ų6874.3 Ų74.335%0.34935%0.349SS..Hα-helixtrans-54.5-49.8175.2-68168.1000109.7S497 V498 R503 T505 I507S497-I501 VanDerWaalsContact O-CG1 3.29Å; S497-I501 WeakPolarHBondContact O-CG1 3.41Å; S497-I501 PolarHBondContact O-N 2.8Å; V498-I501 PolarHBondContact O-N 3.45Å; I501-R503 VanDerWaalsContact C-N 3.29Å; I501-R503 PolarHBondContact O-N 3.34Å; I501-T505 WeakPolarHBondContact O-CB 3.21Å; I501-T505 PolarHBondContact O-N 2.94Å; I501-T505 PolarHBondContact O-OG1 3.45Å; I501-I507 HydrophobicContact CG2-CB 4.34Å; I501-I507 HydrophobicContact CG2-CD1 4.33Å; I501-I507 HydrophobicContact CG2-CG2 4.4Å
502Y92.2Very high92Very high86 Ų8679.3 Ų79.334%0.33737%0.372SS..Hα-helixtrans-62.8-29.9-179.1-176.5-101.3000114.2V498 W500 G508 I511V498-Y502 WeakPolarHBondContact O-CB 3.48Å; V498-Y502 PolarHBondContact O-N 2.94Å; W500-Y502 VanDerWaalsContact C-N 3.31Å; W500-Y502 PolarHBondContact O-N 3.47Å; Y502-G508 VanDerWaalsContact O-CA 3.29Å; Y502-G508 WeakPolarHBondContact O-CA 3.35Å; Y502-I511 HydrophobicContact CE2-CG2 3.99Å
503R90.9Very high91.9Very high177 Ų17786.6 Ų86.667%0.66841%0.405SS*.Hα-helixtrans-96-30.5-175.4-72.3179.3-175.8-170.8-0.1114.6K499 W500 I501K499-R503 WeakPolarHBondContact O-CB 3.41Å; K499-R503 VanDerWaalsContact O-CG 3.29Å; K499-R503 WeakPolarHBondContact O-CG 3.24Å; K499-R503 PolarHBondContact O-N 3.27Å; W500-R503 PolarHBondContact O-N 3.38Å; W500-R503 VanDerWaalsContact O-N 3.14Å; I501-R503 VanDerWaalsContact C-N 3.29Å; I501-R503 PolarHBondContact O-N 3.34Å
504Y88.8Confident91.9Very high165 Ų16592.1 Ų92.165%0.64743%0.432SS*.Hα-helixtrans-123.5-1.4-165-60.4-70.5000114.2W500W500-Y504 HydrophobicContact CB-CD2 4.47Å; W500-Y504 AromaticContact CD1-CD2 3.33Å; W500-Y504 AromaticContact CD1-CE2 3.91Å; W500-Y504 AromaticContact CG-CD2 3.95Å; W500-Y504 HydrophobicContact CG-CD2 3.95Å; W500-Y504 AromaticContact NE1-CD2 3.69Å; W500-Y504 WeakPolarHBondContact O-CD2 3.35Å; W500-Y504 PolarHBondContact O-N 2.9Å
505T91.3Very high91.9Very high35 Ų3588.6 Ų88.622%0.21542%0.418CS..SBendtrans-115.315617774.10000110.8W500 I501 I507 G508W500-T505 HydrophobicContact CE3-CG2 4.23Å; W500-T505 HydrophobicContact CH2-CG2 3.88Å; W500-T505 HydrophobicContact CZ3-CG2 3.63Å; I501-T505 WeakPolarHBondContact O-CB 3.21Å; I501-T505 PolarHBondContact O-N 2.94Å; I501-T505 PolarHBondContact O-OG1 3.45Å; T505-I507 PolarHBondContact O-N 3.47Å; T505-I507 VanDerWaalsContact O-N 3.11Å; T505-G508 PolarHBondContact O-N 3.37Å
506N93.9Very high91.8Very high140 Ų14090.6 Ų90.675%0.74944%0.435SS*.Hα-helixtrans-58.5-24.1176.9-64-7.7000112.7G508 S509 E510N506-G508 VanDerWaalsContact C-N 3.27Å; N506-G508 PolarHBondContact O-N 2.94Å; N506-S509 WeakPolarHBondContact CA-OG 3.46Å; N506-S509 PolarHBondContact O-N 3.43Å; N506-S509 PolarHBondContact O-OG 2.82Å; N506-E510 WeakPolarHBondContact O-CB 3.19Å; N506-E510 PolarHBondContact O-N 3.49Å
507I92.1Very high91.7Very high107 Ų10793 Ų9355%0.54945%0.453SS..Hα-helixtrans-60-41.6174.6-60.7169.8000110.2I501 T505 E510 I511I501-I507 HydrophobicContact CG2-CB 4.34Å; I501-I507 HydrophobicContact CG2-CD1 4.33Å; I501-I507 HydrophobicContact CG2-CG2 4.4Å; T505-I507 PolarHBondContact O-N 3.47Å; T505-I507 VanDerWaalsContact O-N 3.11Å; I507-E510 PolarHBondContact O-N 3.43Å; I507-I511 HydrophobicContact CG2-CD1 3.85Å; I507-I511 HydrophobicContact CG2-CG1 4.46Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.22Å; I507-I511 WeakPolarHBondContact O-CG1 3.37Å; I507-I511 PolarHBondContact O-N 2.89Å
508G91Very high91.7Very high3 Ų395.6 Ų95.63%0.03146%0.456CS..Hα-helixtrans-64.8-43.3178.700000113.3Y502 T505 N506 I511 H512Y502-G508 VanDerWaalsContact O-CA 3.29Å; Y502-G508 WeakPolarHBondContact O-CA 3.35Å; T505-G508 PolarHBondContact O-N 3.37Å; N506-G508 VanDerWaalsContact C-N 3.27Å; N506-G508 PolarHBondContact O-N 2.94Å; G508-I511 PolarHBondContact O-N 2.87Å; G508-H512 PolarHBondContact O-N 2.91Å; G508-H512 VanDerWaalsContact O-N 3.07Å
509S90.1Very high91.7Very high72 Ų7299.5 Ų99.550%0.50346%0.464SS..Hα-helixtrans-66.4-39.1175.8540000112N506 H512 H513N506-S509 WeakPolarHBondContact CA-OG 3.46Å; N506-S509 PolarHBondContact O-N 3.43Å; N506-S509 PolarHBondContact O-OG 2.82Å; S509-H512 PolarHBondContact O-N 3.32Å; S509-H513 WeakPolarHBondContact O-CB 3.48Å; S509-H513 PolarHBondContact O-N 3.48Å
510E93.8Very high91.8Very high91 Ų9197 Ų9743%0.42545%0.453SS..Hα-helixtrans-64.4-44.7177.1-166.260.7-144.100111.1N506 I507 H512 H513 Q514N506-E510 WeakPolarHBondContact O-CB 3.19Å; N506-E510 PolarHBondContact O-N 3.49Å; I507-E510 PolarHBondContact O-N 3.43Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.95Å; E510-H513 PolarHBondContact O-N 2.9Å; E510-H513 VanDerWaalsContact O-N 3.13Å; E510-Q514 HydrophobicContact CG-CG 4.22Å; E510-Q514 WeakPolarHBondContact O-CB 3.17Å; E510-Q514 WeakPolarHBondContact O-CG 3.17Å; E510-Q514 PolarHBondContact O-N 3.01Å; E510-Q514 WeakPolarHBondContact OE1-CG 3.45Å; E510-Q514 PolarHBondContact OE1-NE2 3.5Å
511I92.2Very high92Very high46 Ų4692.8 Ų92.824%0.23644%0.438CS..Hα-helixtrans-57.5-44.2174.6-72.5167.8000110.8Y502 I507 G508 H513 L515 I520Y502-I511 HydrophobicContact CE2-CG2 3.99Å; I507-I511 HydrophobicContact CG2-CD1 3.85Å; I507-I511 HydrophobicContact CG2-CG1 4.46Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.22Å; I507-I511 WeakPolarHBondContact O-CG1 3.37Å; I507-I511 PolarHBondContact O-N 2.89Å; G508-I511 PolarHBondContact O-N 2.87Å; I511-H513 VanDerWaalsContact C-N 3.31Å; I511-H513 PolarHBondContact O-N 2.98Å; I511-L515 HydrophobicContact CG2-CD1 4.12Å; I511-L515 WeakPolarHBondContact O-CB 3.21Å; I511-L515 PolarHBondContact O-N 3.29Å; I511-I520 HydrophobicContact CG2-CG1 4.35Å
512H89.5Confident92.1Very high115 Ų11591.6 Ų91.653%0.53243%0.429SS..Hα-helixtrans-67.2-30.8179-170-70.3000112.7G508 S509 E510G508-H512 PolarHBondContact O-N 2.91Å; G508-H512 VanDerWaalsContact O-N 3.07Å; S509-H512 PolarHBondContact O-N 3.32Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.95Å
513H92Very high92.3Very high161 Ų16190.8 Ų90.875%0.74543%0.43SS*.Hα-helixtrans-79.3-38.9177.7-172.5-92.4000112.2S509 E510 I511S509-H513 WeakPolarHBondContact O-CB 3.48Å; S509-H513 PolarHBondContact O-N 3.48Å; E510-H513 PolarHBondContact O-N 2.9Å; E510-H513 VanDerWaalsContact O-N 3.13Å; I511-H513 VanDerWaalsContact C-N 3.31Å; I511-H513 PolarHBondContact O-N 2.98Å
514Q94.2Very high92.5Very high131 Ų13185 Ų8561%0.61242%0.416SS*.Hα-helixtrans-84.5-32.6-175.9-67.2-173.5300113.9E510E510-Q514 HydrophobicContact CG-CG 4.22Å; E510-Q514 WeakPolarHBondContact O-CB 3.17Å; E510-Q514 WeakPolarHBondContact O-CG 3.17Å; E510-Q514 PolarHBondContact O-N 3.01Å; E510-Q514 WeakPolarHBondContact OE1-CG 3.45Å; E510-Q514 PolarHBondContact OE1-NE2 3.5Å
515L93.5Very high92.8Very high59 Ų5977.6 Ų77.631%0.30939%0.388SS..SBendtrans-108.7137.9-174.5-58.9-174.6000111.6I511 W519 I520 L523I511-L515 HydrophobicContact CG2-CD1 4.12Å; I511-L515 WeakPolarHBondContact O-CB 3.21Å; I511-L515 PolarHBondContact O-N 3.29Å; L515-W519 HydrophobicContact CB-CB 4.04Å; L515-W519 HydrophobicContact CD1-CB 4.44Å; L515-W519 HydrophobicContact CD2-CB 4.33Å; L515-I520 HydrophobicContact CB-CG1 3.94Å; L515-L523 HydrophobicContact CD1-CD2 4.46Å
516S92.8Very high93Very high64 Ų6479.2 Ų79.245%0.44840%0.395SS..  trans-69.1157.1168.261.50000111.5R518 W519 I520S516-R518 PolarHBondContact O-N 3.36Å; S516-W519 WeakPolarHBondContact O-CA 3.3Å; S516-W519 PolarHBondContact O-N 3.33Å; S516-I520 PolarHBondContact O-N 3.49Å
517D90.6Very high93.2Very high121 Ų12176.4 Ų76.465%0.64738%0.38SS*.Hα-helixtrans-48.9-34.2175.9-65.7-24.4000113.7I520 R521D517-I520 PolarHBondContact O-N 2.95Å; D517-R521 WeakPolarHBondContact O-CB 3.44Å; D517-R521 PolarHBondContact O-N 3.28Å
518R90.9Very high93.4Very high98 Ų9872.4 Ų72.437%0.3736%0.361SS..Hα-helixtrans-65.3-43.9177-62-175.6-171-177.3-0.8111.6K4 S516 R521 R522K4-R518 PolarHBondContact O-NH1 3.49Å; S516-R518 PolarHBondContact O-N 3.36Å; R518-R521 PolarHBondContact O-N 2.96Å; R518-R522 WeakPolarHBondContact O-CG 3.19Å; R518-R522 PolarHBondContact O-N 2.98Å
519W93.3Very high93.6Very high149 Ų14972.2 Ų72.256%0.56436%0.359SS*.Hα-helixtrans-70-38.4176.3-82.3113.5000111.9L515 S516 R521 R522 L523L515-W519 HydrophobicContact CB-CB 4.04Å; L515-W519 HydrophobicContact CD1-CB 4.44Å; L515-W519 HydrophobicContact CD2-CB 4.33Å; S516-W519 WeakPolarHBondContact O-CA 3.3Å; S516-W519 PolarHBondContact O-N 3.33Å; W519-R521 VanDerWaalsContact C-N 3.3Å; W519-R521 PolarHBondContact O-N 3.31Å; W519-R522 PolarHBondContact O-N 2.83Å; W519-L523 WeakPolarHBondContact O-CB 3.2Å; W519-L523 PolarHBondContact O-N 3.1Å
520I94.1Very high93.9Very high19 Ų1971.7 Ų71.710%0.09735%0.353CS..Hα-helixtrans-59.8-42.8173-63.2172.4000110.5I511 L515 S516 D517 L523 S524I511-I520 HydrophobicContact CG2-CG1 4.35Å; L515-I520 HydrophobicContact CB-CG1 3.94Å; S516-I520 PolarHBondContact O-N 3.49Å; D517-I520 PolarHBondContact O-N 2.95Å; I520-L523 PolarHBondContact O-N 3.41Å; I520-S524 VanDerWaalsContact O-CB 3.3Å; I520-S524 WeakPolarHBondContact O-CB 3.21Å; I520-S524 PolarHBondContact O-N 3.03Å; I520-S524 PolarHBondContact O-OG 3.13Å
521R93Very high94Very high42 Ų4268.5 Ų68.516%0.15834%0.341CS..Hα-helixtrans-59.9-49.1173.4177.8-177.8168.4-74.32111.6D517 R518 W519 L523 S524 L525 N575 D579D517-R521 WeakPolarHBondContact O-CB 3.44Å; D517-R521 PolarHBondContact O-N 3.28Å; R518-R521 PolarHBondContact O-N 2.96Å; W519-R521 VanDerWaalsContact C-N 3.3Å; W519-R521 PolarHBondContact O-N 3.31Å; R521-L523 PolarHBondContact O-N 2.92Å; R521-S524 PolarHBondContact O-N 3.38Å; R521-L525 HydrophobicContact CG-CD1 3.9Å; R521-L525 HydrophobicContact CG-CG 4.42Å; R521-L525 WeakPolarHBondContact O-CB 3.34Å; R521-L525 WeakPolarHBondContact O-CG 3.25Å; R521-L525 PolarHBondContact O-N 3.44Å; R521-N575 PolarHBondContact NH1-OD1 3.3Å; R521-N575 PolarHBondContact NH2-O 2.9Å; R521-N575 PolarHBondContact NH2-OD1 2.83Å; R521-D579 IonicContact CZ-OD1 2.83Å; R521-D579 IonicContact NH2-OD1 2.92Å; R521-D579 PolarHBondContact NH2-OD1 3.43Å; R521-D579 IonicContact NH2-OD2 3.73Å
522R94.7Very high94.1Very high43 Ų4367 Ų6716%0.16234%0.336CS..Hα-helixtrans-58.8-47.6178.5-69.7-178.9-167.8113.7-1.3111.6E11 R518 W519 S524 L525 L526 Y571E11-R522 IonicContact OE1-CZ 2.87Å; E11-R522 IonicContact OE1-NE 2.64Å; E11-R522 PolarHBondContact OE1-NE 2.94Å; E11-R522 IonicContact OE1-NH2 2.63Å; E11-R522 PolarHBondContact OE1-NH2 3.41Å; E11-R522 IonicContact OE2-CZ 3.52Å; E11-R522 IonicContact OE2-NE 2.6Å; E11-R522 IonicContact OE2-NH2 2.91Å; E11-R522 PolarHBondContact OE2-NH2 2.84Å; R518-R522 WeakPolarHBondContact O-CG 3.19Å; R518-R522 PolarHBondContact O-N 2.98Å; W519-R522 PolarHBondContact O-N 2.83Å; R522-S524 PolarHBondContact O-N 2.91Å; R522-L525 PolarHBondContact O-N 3.49Å; R522-L526 WeakPolarHBondContact O-CB 3.4Å; R522-L526 PolarHBondContact O-N 3.25Å; R522-Y571 WeakPolarHBondContact CG-OH 3.31Å
523L94.8Very high94.4Very high69 Ų6962.3 Ų62.336%0.36132%0.316SS..Hα-helixtrans-62.4-43.6178.1-178.261.1000111.9L515 W519 I520 R521 L525 L526 L527L515-L523 HydrophobicContact CD1-CD2 4.46Å; W519-L523 WeakPolarHBondContact O-CB 3.2Å; W519-L523 PolarHBondContact O-N 3.1Å; I520-L523 PolarHBondContact O-N 3.41Å; R521-L523 PolarHBondContact O-N 2.92Å; L523-L525 PolarHBondContact O-N 3.2Å; L523-L526 WeakPolarHBondContact O-CB 3.18Å; L523-L526 PolarHBondContact O-N 2.95Å; L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.39Å; L523-L527 VanDerWaalsContact O-N 3.08Å
524S95.1Very high94.6Very high55 Ų5558.5 Ų58.539%0.38530%0.301SS..Hα-helixtrans-61.5-45.5177.8-59.80000111.5I520 R521 R522 L526 L527 C528I520-S524 VanDerWaalsContact O-CB 3.3Å; I520-S524 WeakPolarHBondContact O-CB 3.21Å; I520-S524 PolarHBondContact O-N 3.03Å; I520-S524 PolarHBondContact O-OG 3.13Å; R521-S524 PolarHBondContact O-N 3.38Å; R522-S524 PolarHBondContact O-N 2.91Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 3.32Å; S524-L527 PolarHBondContact O-N 2.91Å; S524-C528 PolarHBondContact O-N 3.24Å; S524-C528 PolarHBondContact O-SG 3.41Å
525L96.3Very high94.6Very high9 Ų952.7 Ų52.75%0.04727%0.274CS..Hα-helixtrans-71.7-27.6179.4-65.6177000112.8L412 R521 R522 L523 A529 Y571 L574 N575 T578L412-L525 HydrophobicContact CD2-CD2 4.47Å; R521-L525 HydrophobicContact CG-CD1 3.9Å; R521-L525 HydrophobicContact CG-CG 4.42Å; R521-L525 WeakPolarHBondContact O-CB 3.34Å; R521-L525 WeakPolarHBondContact O-CG 3.25Å; R521-L525 PolarHBondContact O-N 3.44Å; R522-L525 PolarHBondContact O-N 3.49Å; L523-L525 PolarHBondContact O-N 3.2Å; L525-A529 VanDerWaalsContact O-CB 3.28Å; L525-A529 WeakPolarHBondContact O-CB 3.31Å; L525-A529 PolarHBondContact O-N 2.92Å; L525-Y571 HydrophobicContact CB-CD2 4.44Å; L525-Y571 HydrophobicContact CB-CE2 4.13Å; L525-L574 HydrophobicContact CD2-CB 4.17Å; L525-N575 HydrophobicContact CD1-CB 4.28Å; L525-N575 WeakPolarHBondContact CD1-OD1 3.33Å; L525-T578 WeakPolarHBondContact CD2-OG1 3.3Å
526L96.2Very high94.6Very high70 Ų7051.8 Ų51.837%0.36627%0.271SS..Hα-helixtrans-62.5-47.8169.9-171.176.2000110.8R522 L523 S524 A529 T530 F567 Y571R522-L526 WeakPolarHBondContact O-CB 3.4Å; R522-L526 PolarHBondContact O-N 3.25Å; L523-L526 WeakPolarHBondContact O-CB 3.18Å; L523-L526 PolarHBondContact O-N 2.95Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 3.32Å; L526-A529 WeakPolarHBondContact O-CB 3.26Å; L526-A529 PolarHBondContact O-N 2.77Å; L526-T530 PolarHBondContact O-N 3.02Å; L526-T530 PolarHBondContact O-OG1 3.17Å; L526-F567 HydrophobicContact CD1-CE1 3.47Å; L526-F567 VanDerWaalsContact CD1-CE1 3.47Å; L526-F567 HydrophobicContact CD1-CZ 3.42Å; L526-F567 VanDerWaalsContact CD1-CZ 3.42Å; L526-F567 HydrophobicContact CG-CZ 4.1Å; L526-Y571 HydrophobicContact CB-CD2 4.39Å; L526-Y571 HydrophobicContact CB-CE2 4.2Å; L526-Y571 HydrophobicContact CD1-CD2 4.22Å; L526-Y571 HydrophobicContact CD1-CE2 4.4Å
527L96.2Very high94.7Very high81 Ų8150.6 Ų50.642%0.42426%0.259SS..Hα-helixtrans-64.8-41.3176.6-65.7174.5000111.9V498 L523 S524 A529 T530 S531V498-L527 HydrophobicContact CG1-CD1 4.05Å; L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.39Å; L523-L527 VanDerWaalsContact O-N 3.08Å; S524-L527 PolarHBondContact O-N 2.91Å; L527-A529 VanDerWaalsContact C-N 3.32Å; L527-A529 PolarHBondContact O-N 3.43Å; L527-T530 PolarHBondContact O-N 2.81Å; L527-S531 WeakPolarHBondContact O-CB 3.18Å; L527-S531 PolarHBondContact O-N 2.89Å
528C96.6Very high94.9Very high22 Ų2244.9 Ų44.915%0.14923%0.229CC..Hα-helixtrans-63.1-38174.1-66.70000111.9L412 S524 S531 G532 L574L412-C528 WeakPolarHBondContact O-CB 3.47Å; S524-C528 PolarHBondContact O-N 3.24Å; S524-C528 PolarHBondContact O-SG 3.41Å; C528-S531 PolarHBondContact O-N 2.82Å; C528-G532 PolarHBondContact O-N 3.09Å; C528-L574 HydrophobicContact CB-CD1 3.78Å
529A96.4Very high95.1Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-63.6-47.2176.200000111.3L525 L526 L527 S531 G532 V533 F567 F570 L574L525-A529 VanDerWaalsContact O-CB 3.28Å; L525-A529 WeakPolarHBondContact O-CB 3.31Å; L525-A529 PolarHBondContact O-N 2.92Å; L526-A529 WeakPolarHBondContact O-CB 3.26Å; L526-A529 PolarHBondContact O-N 2.77Å; L527-A529 VanDerWaalsContact C-N 3.32Å; L527-A529 PolarHBondContact O-N 3.43Å; A529-S531 VanDerWaalsContact C-N 3.32Å; A529-S531 PolarHBondContact O-N 2.81Å; A529-G532 PolarHBondContact O-N 3.06Å; A529-G532 VanDerWaalsContact O-N 3.13Å; A529-V533 WeakPolarHBondContact O-CG2 3.1Å; A529-V533 PolarHBondContact O-N 3.23Å; A529-F567 HydrophobicContact CB-CE2 4.25Å; A529-F567 HydrophobicContact CB-CZ 4.41Å; A529-F570 HydrophobicContact CB-CB 4.05Å; A529-L574 HydrophobicContact CB-CD1 4.02Å
530T95.8Very high95.1Very high61 Ų6134.9 Ų34.937%0.37419%0.194SC..Hα-helixtrans-56.1-47.9173.5-53.10000111.2L526 L527 G532 V533 L534 F567L526-T530 PolarHBondContact O-N 3.02Å; L526-T530 PolarHBondContact O-OG1 3.17Å; L527-T530 PolarHBondContact O-N 2.81Å; T530-G532 VanDerWaalsContact C-N 3.3Å; T530-G532 PolarHBondContact O-N 2.68Å; T530-V533 PolarHBondContact O-N 3.03Å; T530-L534 HydrophobicContact CG2-CD1 4.41Å; T530-L534 WeakPolarHBondContact O-CG 3.42Å; T530-L534 PolarHBondContact O-N 3.25Å; T530-L534 VanDerWaalsContact O-N 3.16Å; T530-F567 WeakPolarHBondContact OG1-CE2 3.44Å
531S96.2Very high95.2Very high24 Ų2434.6 Ų34.617%0.16819%0.193CC..Hα-helixtrans-63.1-36.7177.7-174.10000112.5I414 L527 C528 A529 S535I414-S531 WeakPolarHBondContact CG1-OG 3.34Å; L527-S531 WeakPolarHBondContact O-CB 3.18Å; L527-S531 PolarHBondContact O-N 2.89Å; C528-S531 PolarHBondContact O-N 2.82Å; A529-S531 VanDerWaalsContact C-N 3.32Å; A529-S531 PolarHBondContact O-N 2.81Å; S531-S535 VanDerWaalsContact O-CB 3.27Å; S531-S535 WeakPolarHBondContact O-CB 3.22Å; S531-S535 PolarHBondContact O-N 3.46Å
532G94.7Very high95.2Very high14 Ų1435.6 Ų35.614%0.14420%0.198CC..Hα-helixtrans-66-44.6178.600000112.2C528 A529 T530 S535 V536C528-G532 PolarHBondContact O-N 3.09Å; A529-G532 PolarHBondContact O-N 3.06Å; A529-G532 VanDerWaalsContact O-N 3.13Å; T530-G532 VanDerWaalsContact C-N 3.3Å; T530-G532 PolarHBondContact O-N 2.68Å; G532-S535 PolarHBondContact O-N 3.16Å; G532-V536 PolarHBondContact O-N 3.4Å
533V95.2Very high95Very high16 Ų1634.4 Ų34.410%0.09720%0.195CC..Hα-helixtrans-60.5-48.9176174.40000110.9A529 T530 S535 V536 L537 L556 V566 F570A529-V533 WeakPolarHBondContact O-CG2 3.1Å; A529-V533 PolarHBondContact O-N 3.23Å; T530-V533 PolarHBondContact O-N 3.03Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.9Å; V533-V536 PolarHBondContact O-N 3.15Å; V533-L537 PolarHBondContact O-N 3.41Å; V533-L537 VanDerWaalsContact O-N 3.12Å; V533-L556 HydrophobicContact CG1-CD2 3.59Å; V533-V566 HydrophobicContact CG1-CG1 4.19Å; V533-V566 HydrophobicContact CG2-CG1 3.86Å; V533-F570 HydrophobicContact CG2-CB 4.15Å; V533-F570 HydrophobicContact CG2-CD1 4.42Å; V533-F570 HydrophobicContact CG2-CD2 3.53Å; V533-F570 HydrophobicContact CG2-CE2 3.98Å; V533-F570 HydrophobicContact CG2-CG 3.77Å
534L95.6Very high94.8Very high82 Ų8231.7 Ų31.743%0.42918%0.18SC..Hα-helixtrans-63.8-36.6177.5-67.8176.1000112.3L491 T530 L537 G538L491-L534 HydrophobicContact CD1-CB 4.04Å; L491-L534 HydrophobicContact CD2-CB 3.81Å; L491-L534 HydrophobicContact CD2-CD1 3.89Å; L491-L534 HydrophobicContact CG-CB 4.47Å; T530-L534 HydrophobicContact CG2-CD1 4.41Å; T530-L534 WeakPolarHBondContact O-CG 3.42Å; T530-L534 PolarHBondContact O-N 3.25Å; T530-L534 VanDerWaalsContact O-N 3.16Å; L534-L537 HydrophobicContact CD2-CD1 4.47Å; L534-L537 PolarHBondContact O-N 3.37Å; L534-G538 PolarHBondContact O-N 3.32Å
535S95Very high94.7Very high8 Ų830.2 Ų30.26%0.05617%0.173CC..Hα-helixtrans-65.7-41176.2-176.90000111.7I414 S531 G532 V533 G538 N539I414-S535 WeakPolarHBondContact CD1-OG 3.47Å; S531-S535 VanDerWaalsContact O-CB 3.27Å; S531-S535 WeakPolarHBondContact O-CB 3.22Å; S531-S535 PolarHBondContact O-N 3.46Å; G532-S535 PolarHBondContact O-N 3.16Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.9Å; S535-G538 PolarHBondContact O-N 2.76Å; S535-N539 VanDerWaalsContact O-CB 3.32Å; S535-N539 WeakPolarHBondContact O-CB 3.38Å; S535-N539 PolarHBondContact O-N 2.93Å; S535-N539 PolarHBondContact O-ND2 2.87Å; S535-N539 VanDerWaalsContact O-ND2 3.08Å; S535-N539 PolarHBondContact OG-ND2 2.85Å; S535-N539 VanDerWaalsContact OG-ND2 3.15Å
536V93.9Very high94.5Very high41 Ų4130.9 Ų30.925%0.24818%0.179CC..Hα-helixtrans-62.6-42.8174.8168.10000111.5I330 G532 V533 G538 N539 S540 F570I330-V536 HydrophobicContact CG2-CG1 3.78Å; G532-V536 PolarHBondContact O-N 3.4Å; V533-V536 PolarHBondContact O-N 3.15Å; V536-G538 VanDerWaalsContact C-N 3.34Å; V536-G538 PolarHBondContact O-N 2.95Å; V536-N539 CarbonylContact O-C 3.17Å; V536-N539 PolarHBondContact O-N 3.32Å; V536-S540 WeakPolarHBondContact O-CB 3.44Å; V536-S540 PolarHBondContact O-N 3.44Å; V536-S540 PolarHBondContact O-OG 2.99Å; V536-F570 HydrophobicContact CB-CZ 4.31Å; V536-F570 HydrophobicContact CG2-CE1 4.29Å; V536-F570 HydrophobicContact CG2-CZ 3.64Å
537L94Very high94.3Very high38 Ų3834.3 Ų34.320%0.19919%0.191CC..Hα-helixtrans-60.7-42174.4-66.6175.8000112.5V533 L534 S540 H541 L552 A553 L556V533-L537 PolarHBondContact O-N 3.41Å; V533-L537 VanDerWaalsContact O-N 3.12Å; L534-L537 HydrophobicContact CD2-CD1 4.47Å; L534-L537 PolarHBondContact O-N 3.37Å; L537-S540 PolarHBondContact O-N 2.67Å; L537-H541 PolarHBondContact O-ND1 2.71Å; L537-L552 HydrophobicContact CD2-CB 4.34Å; L537-A553 HydrophobicContact CD2-CB 4.47Å; L537-L556 HydrophobicContact CD1-CD2 3.77Å; L537-L556 HydrophobicContact CD2-CD2 4.39Å; L537-L556 HydrophobicContact CG-CD2 4.39Å
538G94.9Very high94.2Very high1 Ų130.7 Ų30.71%0.0117%0.172CC..Hα-helixtrans-62.7-47.7174.400000112.2W484 L534 S535 V536 S540 H541W484-G538 WeakPolarHBondContact CA-O 3.18Å; L534-G538 PolarHBondContact O-N 3.32Å; S535-G538 PolarHBondContact O-N 2.76Å; V536-G538 VanDerWaalsContact C-N 3.34Å; V536-G538 PolarHBondContact O-N 2.95Å; G538-S540 VanDerWaalsContact C-N 3.3Å; G538-S540 PolarHBondContact O-N 2.94Å; G538-H541 WeakPolarHBondContact O-CB 3.27Å; G538-H541 PolarHBondContact O-N 3.14Å
539N94.7Very high94.1Very high37 Ų3729.6 Ų29.620%0.19817%0.165CC..Hα-helixtrans-69.3-24.1178.7-66.9-31.5000112.9W484 N488 S535 V536 H541 F542 L543W484-N539 PolarHBondContact NE1-OD1 3.49Å; N488-N539 PolarHBondContact ND2-OD1 3.17Å; S535-N539 VanDerWaalsContact O-CB 3.32Å; S535-N539 WeakPolarHBondContact O-CB 3.38Å; S535-N539 PolarHBondContact O-N 2.93Å; S535-N539 PolarHBondContact O-ND2 2.87Å; S535-N539 VanDerWaalsContact O-ND2 3.08Å; S535-N539 PolarHBondContact OG-ND2 2.85Å; S535-N539 VanDerWaalsContact OG-ND2 3.15Å; V536-N539 CarbonylContact O-C 3.17Å; V536-N539 PolarHBondContact O-N 3.32Å; N539-H541 PolarHBondContact O-N 3.28Å; N539-F542 PolarHBondContact O-N 3.41Å; N539-F542 VanDerWaalsContact O-N 3.17Å; N539-L543 WeakPolarHBondContact O-CB 3.49Å; N539-L543 WeakPolarHBondContact O-CG 3.3Å; N539-L543 PolarHBondContact O-N 3.49Å
540S94.3Very high93.9Very high1 Ų133.2 Ų33.21%0.00718%0.184CC..Hα-helixtrans-61.9-29.6173.4-68.60000112.4V536 L537 G538 L543 F544V536-S540 WeakPolarHBondContact O-CB 3.44Å; V536-S540 PolarHBondContact O-N 3.44Å; V536-S540 PolarHBondContact O-OG 2.99Å; L537-S540 PolarHBondContact O-N 2.67Å; G538-S540 VanDerWaalsContact C-N 3.3Å; G538-S540 PolarHBondContact O-N 2.94Å; S540-L543 PolarHBondContact O-N 2.92Å; S540-F544 WeakPolarHBondContact O-CB 3.47Å; S540-F544 PolarHBondContact O-N 3.46Å
541H95.2Very high93.8Very high13 Ų1331.8 Ų31.86%0.0617%0.173CC..Hα-helixtrans-59.9-54.8171.9-73.178000109.3T480 W484 L537 G538 N539 L543 G545 A549 N550T480-H541 HydrophobicContact CG2-CB 3.84Å; T480-H541 WeakPolarHBondContact CG2-O 3.42Å; W484-H541 HydrophobicContact CB-CB 4.29Å; L537-H541 PolarHBondContact O-ND1 2.71Å; G538-H541 WeakPolarHBondContact O-CB 3.27Å; G538-H541 PolarHBondContact O-N 3.14Å; N539-H541 PolarHBondContact O-N 3.28Å; H541-L543 PolarHBondContact O-N 2.96Å; H541-G545 WeakPolarHBondContact O-CA 3.4Å; H541-G545 PolarHBondContact O-N 2.97Å; H541-A549 HydrophobicContact CB-CB 4.24Å; H541-A549 VanDerWaalsContact CE1-CB 3.44Å; H541-A549 WeakPolarHBondContact CE1-CB 3.43Å; H541-A549 VanDerWaalsContact ND1-CB 3.33Å; H541-A549 WeakPolarHBondContact ND1-CB 3.33Å; H541-N550 PolarHBondContact NE2-OD1 2.96Å
542F92.4Very high93.7Very high62 Ų6231.1 Ų31.127%0.27217%0.168SC..Hα-helixtrans-59.3-41.8177.5177.5-102.6000113.6W484 N539W484-F542 HydrophobicContact CB-CB 4.07Å; W484-F542 HydrophobicContact CD2-CB 3.65Å; W484-F542 AromaticContact CD2-CD2 3.98Å; W484-F542 HydrophobicContact CD2-CD2 3.98Å; W484-F542 AromaticContact CD2-CG 3.94Å; W484-F542 HydrophobicContact CD2-CG 3.94Å; W484-F542 HydrophobicContact CE3-CB 4.07Å; W484-F542 AromaticContact CE3-CD2 3.58Å; W484-F542 HydrophobicContact CE3-CD2 3.58Å; W484-F542 HydrophobicContact CE3-CE2 4.33Å; W484-F542 HydrophobicContact CE3-CG 4.04Å; W484-F542 HydrophobicContact CG-CB 3.62Å; W484-F542 HydrophobicContact CG-CG 4.43Å; W484-F542 AromaticContact CH2-CD2 3.97Å; W484-F542 HydrophobicContact CH2-CD2 3.97Å; W484-F542 HydrophobicContact CH2-CE2 4.02Å; W484-F542 HydrophobicContact CH2-CG 4.4Å; W484-F542 HydrophobicContact CH2-CZ 4.49Å; W484-F542 HydrophobicContact CZ2-CD2 4.31Å; W484-F542 HydrophobicContact CZ2-CG 4.29Å; W484-F542 AromaticContact CZ3-CD2 3.58Å; W484-F542 HydrophobicContact CZ3-CD2 3.58Å; W484-F542 AromaticContact CZ3-CE2 3.86Å; W484-F542 HydrophobicContact CZ3-CE2 3.86Å; W484-F542 HydrophobicContact CZ3-CG 4.28Å; N539-F542 PolarHBondContact O-N 3.41Å; N539-F542 VanDerWaalsContact O-N 3.17Å
543L91.4Very high93.6Very high18 Ų1831.7 Ų31.79%0.09417%0.171CC..Hα-helixtrans-78.4-30.9-173.5-75.8175.2000115.5R333 L337 N539 S540 H541R333-L543 PolarHBondContact NH2-O 2.73Å; L337-L543 HydrophobicContact CB-CD2 4.23Å; L337-L543 HydrophobicContact CD1-CD2 4.24Å; L337-L543 HydrophobicContact CD2-CD2 3.94Å; L337-L543 HydrophobicContact CG-CD2 4.34Å; N539-L543 WeakPolarHBondContact O-CB 3.49Å; N539-L543 WeakPolarHBondContact O-CG 3.3Å; N539-L543 PolarHBondContact O-N 3.49Å; S540-L543 PolarHBondContact O-N 2.92Å; H541-L543 PolarHBondContact O-N 2.96Å
544F90.9Very high93.6Very high13 Ų1335.3 Ų35.36%0.05719%0.188CC..Hα-helixtrans-131-11.8-170-56.6-72.4000114.3I330 R333 S540 V548I330-F544 HydrophobicContact CG1-CE2 4.41Å; R333-F544 HydrophobicContact CB-CE1 3.98Å; R333-F544 HydrophobicContact CB-CZ 3.6Å; R333-F544 HydrophobicContact CG-CD1 4.45Å; R333-F544 HydrophobicContact CG-CE1 3.44Å; R333-F544 VanDerWaalsContact CG-CE1 3.44Å; R333-F544 HydrophobicContact CG-CE2 4.33Å; R333-F544 HydrophobicContact CG-CZ 3.39Å; S540-F544 WeakPolarHBondContact O-CB 3.47Å; S540-F544 PolarHBondContact O-N 3.46Å; F544-V548 HydrophobicContact CB-CB 3.58Å; F544-V548 HydrophobicContact CB-CG1 3.47Å; F544-V548 VanDerWaalsContact CB-CG1 3.47Å; F544-V548 HydrophobicContact CB-CG2 4.09Å; F544-V548 HydrophobicContact CD1-CG1 4.42Å; F544-V548 HydrophobicContact CD2-CG1 4.02Å; F544-V548 HydrophobicContact CG-CB 4.41Å; F544-V548 HydrophobicContact CG-CG1 3.76Å
545G92Very high93.4Very high23 Ų2332.3 Ų32.324%0.23717%0.171CC..  trans88.2164.9-171.900000113.8H541 K547 V548 A549H541-G545 WeakPolarHBondContact O-CA 3.4Å; H541-G545 PolarHBondContact O-N 2.97Å; G545-K547 VanDerWaalsContact C-N 3.35Å; G545-K547 PolarHBondContact O-N 3.25Å; G545-V548 PolarHBondContact O-N 2.95Å; G545-A549 PolarHBondContact O-N 2.76Å; G545-A549 VanDerWaalsContact O-N 3.16Å
546S93Very high93.3Very high23 Ų2333 Ų3316%0.16117%0.174CC..Hα-helixtrans-60.2-35.9-172.2-67.60000114.4T480 N550T480-S546 PolarHBondContact OG1-OG 2.83Å; S546-N550 VanDerWaalsContact O-CB 3.29Å; S546-N550 WeakPolarHBondContact O-CB 3.39Å; S546-N550 PolarHBondContact O-N 3.4Å; S546-N550 PolarHBondContact O-ND2 3.44Å; S546-N550 VanDerWaalsContact O-ND2 3.11Å
547K92.6Very high93.3Very high143 Ų14336.1 Ų36.162%0.62219%0.188SC*.Hα-helixtrans-63.1-50-178.3-69.9-174.7179.5-179.40111.9G545 Q551G545-K547 VanDerWaalsContact C-N 3.35Å; G545-K547 PolarHBondContact O-N 3.25Å; K547-Q551 PolarHBondContact O-N 3.36Å; K547-Q551 VanDerWaalsContact O-N 3.16Å
548V92.5Very high93.2Very high4 Ų440.2 Ų40.22%0.02421%0.206CC..Hα-helixtrans-65-46.8178.81700000110.4G297 I300 F544 G545 N550 Q551 L552G297-V548 WeakPolarHBondContact O-CG1 3.36Å; I300-V548 HydrophobicContact CB-CG1 3.86Å; I300-V548 HydrophobicContact CB-CG2 4.4Å; I300-V548 HydrophobicContact CD1-CG1 4.22Å; I300-V548 HydrophobicContact CG2-CG1 3.85Å; F544-V548 HydrophobicContact CB-CB 3.58Å; F544-V548 HydrophobicContact CB-CG1 3.47Å; F544-V548 VanDerWaalsContact CB-CG1 3.47Å; F544-V548 HydrophobicContact CB-CG2 4.09Å; F544-V548 HydrophobicContact CD1-CG1 4.42Å; F544-V548 HydrophobicContact CD2-CG1 4.02Å; F544-V548 HydrophobicContact CG-CB 4.41Å; F544-V548 HydrophobicContact CG-CG1 3.76Å; G545-V548 PolarHBondContact O-N 2.95Å; V548-N550 PolarHBondContact O-N 2.87Å; V548-Q551 WeakPolarHBondContact O-CB 3.3Å; V548-Q551 PolarHBondContact O-N 2.89Å; V548-L552 HydrophobicContact CG1-CD1 4.07Å; V548-L552 HydrophobicContact CG1-CG 4.4Å; V548-L552 WeakPolarHBondContact O-CG 3.41Å; V548-L552 PolarHBondContact O-N 3.32Å
549A94.5Very high93Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-62.9-40.3-177.700000113H541 G545 L552 A553H541-A549 HydrophobicContact CB-CB 4.24Å; H541-A549 VanDerWaalsContact CE1-CB 3.44Å; H541-A549 WeakPolarHBondContact CE1-CB 3.43Å; H541-A549 VanDerWaalsContact ND1-CB 3.33Å; H541-A549 WeakPolarHBondContact ND1-CB 3.33Å; G545-A549 PolarHBondContact O-N 2.76Å; G545-A549 VanDerWaalsContact O-N 3.16Å; A549-L552 PolarHBondContact O-N 2.82Å; A549-A553 PolarHBondContact O-N 3.3Å
550N93.8Very high92.9Very high76 Ų7642.1 Ų42.141%0.40622%0.22SC..Hα-helixtrans-65-40.9174.8-72.1-25.2000111.9H541 S546 V548 L552 A553 M554H541-N550 PolarHBondContact NE2-OD1 2.96Å; S546-N550 VanDerWaalsContact O-CB 3.29Å; S546-N550 WeakPolarHBondContact O-CB 3.39Å; S546-N550 PolarHBondContact O-N 3.4Å; S546-N550 PolarHBondContact O-ND2 3.44Å; S546-N550 VanDerWaalsContact O-ND2 3.11Å; V548-N550 PolarHBondContact O-N 2.87Å; N550-L552 VanDerWaalsContact C-N 3.33Å; N550-L552 PolarHBondContact O-N 3.43Å; N550-A553 PolarHBondContact O-N 3.15Å; N550-M554 WeakPolarHBondContact O-CG 3.19Å; N550-M554 PolarHBondContact O-N 3.24Å
551Q92.9Very high92.8Very high31 Ų3145.5 Ų45.515%0.14524%0.241CC..Hα-helixtrans-61.9-42.4175.9-173.566.65.300111.5I300 K547 V548 A553 M554 W555I300-Q551 HydrophobicContact CG2-CB 4.31Å; I300-Q551 HydrophobicContact CG2-CG 4.19Å; K547-Q551 PolarHBondContact O-N 3.36Å; K547-Q551 VanDerWaalsContact O-N 3.16Å; V548-Q551 WeakPolarHBondContact O-CB 3.3Å; V548-Q551 PolarHBondContact O-N 2.89Å; Q551-A553 PolarHBondContact O-N 3.07Å; Q551-M554 PolarHBondContact O-N 3.42Å; Q551-W555 HydrophobicContact CG-CD2 4.15Å; Q551-W555 HydrophobicContact CG-CE3 4.34Å; Q551-W555 HydrophobicContact CG-CH2 4.02Å; Q551-W555 HydrophobicContact CG-CZ2 3.82Å; Q551-W555 HydrophobicContact CG-CZ3 4.28Å; Q551-W555 VanDerWaalsContact NE2-CZ2 3.26Å; Q551-W555 PolarHBondContact O-N 3.38Å
552L93.9Very high92.8Very high10 Ų1045.7 Ų45.75%0.05224%0.242CC..Hα-helixtrans-61.5-43.3175-70177.1000112.5I300 I326 I330 L537 V548 A549 N550 W555 L556I300-L552 HydrophobicContact CD1-CD2 4.2Å; I300-L552 HydrophobicContact CG2-CD2 3.92Å; I300-L552 HydrophobicContact CG2-CG 4.09Å; I326-L552 HydrophobicContact CG2-CD2 3.69Å; I330-L552 HydrophobicContact CD1-CD1 3.64Å; I330-L552 HydrophobicContact CD1-CD2 3.57Å; I330-L552 HydrophobicContact CD1-CG 4.21Å; I330-L552 HydrophobicContact CG1-CD1 4.02Å; I330-L552 HydrophobicContact CG1-CD2 4.46Å; L537-L552 HydrophobicContact CD2-CB 4.34Å; V548-L552 HydrophobicContact CG1-CD1 4.07Å; V548-L552 HydrophobicContact CG1-CG 4.4Å; V548-L552 WeakPolarHBondContact O-CG 3.41Å; V548-L552 PolarHBondContact O-N 3.32Å; A549-L552 PolarHBondContact O-N 2.82Å; N550-L552 VanDerWaalsContact C-N 3.33Å; N550-L552 PolarHBondContact O-N 3.43Å; L552-W555 HydrophobicContact CD2-CE3 4.06Å; L552-W555 HydrophobicContact CD2-CZ3 4.27Å; L552-W555 PolarHBondContact O-N 2.85Å; L552-L556 WeakPolarHBondContact O-CB 3.32Å; L552-L556 PolarHBondContact O-N 3.29Å
553A94.1Very high92.9Very high26 Ų2648.1 Ų48.122%0.21525%0.249CC..Hα-helixtrans-62.2-44.7175.700000111.4L537 A549 N550 Q551 W555 L556 I557L537-A553 HydrophobicContact CD2-CB 4.47Å; A549-A553 PolarHBondContact O-N 3.3Å; N550-A553 PolarHBondContact O-N 3.15Å; Q551-A553 PolarHBondContact O-N 3.07Å; A553-W555 PolarHBondContact O-N 3.11Å; A553-L556 PolarHBondContact O-N 3.49Å; A553-I557 VanDerWaalsContact O-CG1 3.27Å; A553-I557 WeakPolarHBondContact O-CG1 3.27Å; A553-I557 PolarHBondContact O-N 3.05Å
554M93.2Very high93Very high92 Ų9254 Ų5445%0.45328%0.275SS..Hα-helixtrans-59.8-45.8176.8-74.3-62.3-7200111.9N550 Q551 L556 I557 H558N550-M554 WeakPolarHBondContact O-CG 3.19Å; N550-M554 PolarHBondContact O-N 3.24Å; Q551-M554 PolarHBondContact O-N 3.42Å; M554-L556 PolarHBondContact O-N 2.92Å; M554-I557 PolarHBondContact O-N 2.63Å; M554-H558 VanDerWaalsContact CE-CD2 3.46Å; M554-H558 WeakPolarHBondContact CE-CD2 3.31Å; M554-H558 WeakPolarHBondContact CE-NE2 3.46Å; M554-H558 WeakPolarHBondContact O-CB 3.38Å; M554-H558 PolarHBondContact O-CD2 3.27Å; M554-H558 PolarHBondContact O-N 3.34Å
555W92.5Very high93.2Very high18 Ų1856 Ų567%0.06829%0.288CS..Hα-helixtrans-63.4-39.8175.7-70.7-22.1000112.7I300 A303 I305 I326 Q551 L552 A553 I557 H558 D559 L562I300-W555 HydrophobicContact CG2-CH2 4.03Å; I300-W555 HydrophobicContact CG2-CZ3 3.66Å; A303-W555 HydrophobicContact CB-CH2 4.23Å; A303-W555 VanDerWaalsContact O-CZ2 3.26Å; A303-W555 WeakPolarHBondContact O-CZ2 3.3Å; I305-W555 HydrophobicContact CD1-CB 4.05Å; I305-W555 HydrophobicContact CD1-CD2 3.57Å; I305-W555 HydrophobicContact CD1-CE3 4.01Å; I305-W555 HydrophobicContact CD1-CG 3.61Å; I305-W555 HydrophobicContact CG1-CD2 3.89Å; I305-W555 HydrophobicContact CG1-CE3 4.24Å; I305-W555 HydrophobicContact CG1-CG 4.35Å; I305-W555 HydrophobicContact CG1-CH2 4.28Å; I305-W555 HydrophobicContact CG1-CZ2 3.91Å; I305-W555 HydrophobicContact CG1-CZ3 4.43Å; I326-W555 HydrophobicContact CD1-CE3 3.7Å; I326-W555 HydrophobicContact CD1-CH2 3.79Å; I326-W555 HydrophobicContact CD1-CZ3 3.25Å; I326-W555 HydrophobicContact CG1-CE3 4.48Å; I326-W555 HydrophobicContact CG1-CH2 4.41Å; I326-W555 HydrophobicContact CG1-CZ3 3.77Å; I326-W555 HydrophobicContact CG2-CE3 4.32Å; I326-W555 HydrophobicContact CG2-CZ3 4.12Å; Q551-W555 HydrophobicContact CG-CD2 4.15Å; Q551-W555 HydrophobicContact CG-CE3 4.34Å; Q551-W555 HydrophobicContact CG-CH2 4.02Å; Q551-W555 HydrophobicContact CG-CZ2 3.82Å; Q551-W555 HydrophobicContact CG-CZ3 4.28Å; Q551-W555 VanDerWaalsContact NE2-CZ2 3.26Å; Q551-W555 PolarHBondContact O-N 3.38Å; L552-W555 HydrophobicContact CD2-CE3 4.06Å; L552-W555 HydrophobicContact CD2-CZ3 4.27Å; L552-W555 PolarHBondContact O-N 2.85Å; A553-W555 PolarHBondContact O-N 3.11Å; W555-I557 VanDerWaalsContact C-N 3.29Å; W555-I557 PolarHBondContact O-N 2.95Å; W555-H558 PolarHBondContact O-N 3.33Å; W555-D559 WeakPolarHBondContact O-CA 3.45Å; W555-D559 WeakPolarHBondContact O-CB 3.19Å; W555-D559 PolarHBondContact O-N 2.94Å; W555-L562 HydrophobicContact CB-CD2 3.81Å
556L93.3Very high93.4Very high24 Ų2456.7 Ų56.713%0.12629%0.287CS..Hα-helixtrans-67.6-30.3176.9-161.176.3000112.7V533 L537 L552 A553 M554 L562 R563 V566V533-L556 HydrophobicContact CG1-CD2 3.59Å; L537-L556 HydrophobicContact CD1-CD2 3.77Å; L537-L556 HydrophobicContact CD2-CD2 4.39Å; L537-L556 HydrophobicContact CG-CD2 4.39Å; L552-L556 WeakPolarHBondContact O-CB 3.32Å; L552-L556 PolarHBondContact O-N 3.29Å; A553-L556 PolarHBondContact O-N 3.49Å; M554-L556 PolarHBondContact O-N 2.92Å; L556-L562 HydrophobicContact CD1-CG 4.5Å; L556-R563 HydrophobicContact CD1-CB 4.21Å; L556-R563 HydrophobicContact CG-CB 4.4Å; L556-R563 HydrophobicContact CG-CG 4.43Å; L556-R563 WeakPolarHBondContact O-CB 3.15Å; L556-R563 WeakPolarHBondContact O-CD 3.49Å; L556-R563 PolarHBondContact O-NH1 3.38Å; L556-V566 HydrophobicContact CD1-CB 4.1Å; L556-V566 HydrophobicContact CD1-CG1 4.27Å; L556-V566 HydrophobicContact CD1-CG2 4.14Å
557I93.3Very high93.5Very high105 Ų10558.7 Ų58.754%0.53829%0.293SS..Hα-helixtrans-76.6-42.9176.4-68.8166.5000111.1A553 M554 W555 R563A553-I557 VanDerWaalsContact O-CG1 3.27Å; A553-I557 WeakPolarHBondContact O-CG1 3.27Å; A553-I557 PolarHBondContact O-N 3.05Å; M554-I557 PolarHBondContact O-N 2.63Å; W555-I557 VanDerWaalsContact C-N 3.29Å; W555-I557 PolarHBondContact O-N 2.95Å; I557-R563 PolarHBondContact O-NH1 3.04Å
558H91Very high93.7Very high124 Ų12453.5 Ų53.557%0.57427%0.273SS*.Hα-helixtrans-95-24-171.7-68-66.4000115M554 W555 P560M554-H558 VanDerWaalsContact CE-CD2 3.46Å; M554-H558 WeakPolarHBondContact CE-CD2 3.31Å; M554-H558 WeakPolarHBondContact CE-NE2 3.46Å; M554-H558 WeakPolarHBondContact O-CB 3.38Å; M554-H558 PolarHBondContact O-CD2 3.27Å; M554-H558 PolarHBondContact O-N 3.34Å; W555-H558 PolarHBondContact O-N 3.33Å; H558-P560 WeakPolarHBondContact O-CD 3.32Å
559D91.2Very high93.8Very high2 Ų254.6 Ų54.61%0.01128%0.277CS..  trans-98.999.9177.2-171.8-25.6000110.4L308 R323 W555 T561 L562 R563L308-D559 HydrophobicContact CD1-CB 4.41Å; R323-D559 IonicContact CZ-OD1 3.69Å; R323-D559 IonicContact CZ-OD2 2.76Å; R323-D559 VanDerWaalsContact CZ-OD2 3.3Å; R323-D559 IonicContact NE-OD1 2.95Å; R323-D559 IonicContact NE-OD2 2.98Å; R323-D559 PolarHBondContact NE-OD2 3.02Å; R323-D559 IonicContact NH2-OD1 3.3Å; R323-D559 PolarHBondContact NH2-OD1 3.23Å; R323-D559 IonicContact NH2-OD2 3.83Å; R323-D559 PolarHBondContact NH2-OD2 3.11Å; W555-D559 WeakPolarHBondContact O-CA 3.45Å; W555-D559 WeakPolarHBondContact O-CB 3.19Å; W555-D559 PolarHBondContact O-N 2.94Å; D559-T561 PolarHBondContact O-N 3.28Å; D559-T561 WeakPolarHBondContact OD1-CA 3.5Å; D559-T561 VanDerWaalsContact OD1-CB 3.31Å; D559-T561 WeakPolarHBondContact OD1-CB 3.28Å; D559-T561 PolarHBondContact OD1-N 3.26Å; D559-L562 HydrophobicContact CB-CB 3.83Å; D559-L562 PolarHBondContact O-N 3.06Å; D559-L562 PolarHBondContact OD1-N 2.91Å; D559-R563 WeakPolarHBondContact O-CB 3.22Å; D559-R563 PolarHBondContact O-N 3.25Å
560P93.1Very high93.9Very high77 Ų7756.5 Ų56.550%0.529%0.286SS..Hα-helixtrans-64.2-30.7-179.426.8-34.9000112.4H558 F564H558-P560 WeakPolarHBondContact O-CD 3.32Å; P560-F564 VanDerWaalsContact O-CB 3.3Å; P560-F564 WeakPolarHBondContact O-CB 3.24Å; P560-F564 PolarHBondContact O-N 3.29Å
561T92.9Very high94.1Very high72 Ų7254.4 Ų54.444%0.44227%0.272SS..Hα-helixtrans-69.7-45.6179.1-58.50000110.4D559 T565D559-T561 PolarHBondContact O-N 3.28Å; D559-T561 WeakPolarHBondContact OD1-CA 3.5Å; D559-T561 VanDerWaalsContact OD1-CB 3.31Å; D559-T561 WeakPolarHBondContact OD1-CB 3.28Å; D559-T561 PolarHBondContact OD1-N 3.26Å; T561-T565 VanDerWaalsContact O-CB 3.32Å; T561-T565 WeakPolarHBondContact O-CB 3.41Å; T561-T565 PolarHBondContact O-N 2.86Å; T561-T565 PolarHBondContact O-OG1 3.02Å
562L93.5Very high94.3Very high16 Ų1653.1 Ų53.18%0.08427%0.266CS..Hα-helixtrans-61.3-47.8174.4-178.563.9000110.5I305 R323 W555 L556 D559 F564 T565 V566I305-L562 HydrophobicContact CD1-CD2 4.33Å; R323-L562 HydrophobicContact CB-CD1 4.32Å; W555-L562 HydrophobicContact CB-CD2 3.81Å; L556-L562 HydrophobicContact CD1-CG 4.5Å; D559-L562 HydrophobicContact CB-CB 3.83Å; D559-L562 PolarHBondContact O-N 3.06Å; D559-L562 PolarHBondContact OD1-N 2.91Å; L562-F564 PolarHBondContact O-N 3.47Å; L562-T565 PolarHBondContact O-N 3.06Å; L562-V566 HydrophobicContact CD1-CG2 4.04Å; L562-V566 HydrophobicContact CG-CG2 4.33Å; L562-V566 WeakPolarHBondContact O-CB 3.38Å; L562-V566 VanDerWaalsContact O-CG2 3.3Å; L562-V566 WeakPolarHBondContact O-CG2 3.4Å; L562-V566 PolarHBondContact O-N 2.82Å
563R94.6Very high94.4Very high113 Ų11353.8 Ų53.843%0.42627%0.269SS..Hα-helixtrans-56.2-49.5178.2-177.5169.455.9-123.27112.6L556 I557 D559 F567L556-R563 HydrophobicContact CD1-CB 4.21Å; L556-R563 HydrophobicContact CG-CB 4.4Å; L556-R563 HydrophobicContact CG-CG 4.43Å; L556-R563 WeakPolarHBondContact O-CB 3.15Å; L556-R563 WeakPolarHBondContact O-CD 3.49Å; L556-R563 PolarHBondContact O-NH1 3.38Å; I557-R563 PolarHBondContact O-NH1 3.04Å; D559-R563 WeakPolarHBondContact O-CB 3.22Å; D559-R563 PolarHBondContact O-N 3.25Å; R563-F567 WeakPolarHBondContact O-CB 3.22Å; R563-F567 PolarHBondContact O-N 3.34Å
564F95Very high94.5Very high143 Ų14353.1 Ų53.163%0.62726%0.262SS*.Hα-helixtrans-62.9-45.7179.1-177.7-101.3000111.4P560 L562 V566 F567 V568P560-F564 VanDerWaalsContact O-CB 3.3Å; P560-F564 WeakPolarHBondContact O-CB 3.24Å; P560-F564 PolarHBondContact O-N 3.29Å; L562-F564 PolarHBondContact O-N 3.47Å; F564-V566 PolarHBondContact O-N 2.89Å; F564-F567 PolarHBondContact O-N 3.03Å; F564-V568 HydrophobicContact CD1-CG2 4.08Å; F564-V568 HydrophobicContact CD2-CG2 4.24Å; F564-V568 HydrophobicContact CE1-CG2 3.7Å; F564-V568 HydrophobicContact CE2-CG2 3.88Å; F564-V568 HydrophobicContact CG-CG2 4.34Å; F564-V568 HydrophobicContact CZ-CG2 3.59Å; F564-V568 WeakPolarHBondContact O-CB 3.49Å; F564-V568 VanDerWaalsContact O-CG2 3.3Å; F564-V568 WeakPolarHBondContact O-CG2 3.39Å; F564-V568 PolarHBondContact O-N 3.3Å
565T94.9Very high94.6Very high55 Ų5548.8 Ų48.834%0.33724%0.241SC..Hα-helixtrans-60.9-47.2179.9-56.40000111.7I22 T561 L562 V568 Y569I22-T565 HydrophobicContact CD1-CG2 4.22Å; I22-T565 HydrophobicContact CG2-CG2 4.44Å; T561-T565 VanDerWaalsContact O-CB 3.32Å; T561-T565 WeakPolarHBondContact O-CB 3.41Å; T561-T565 PolarHBondContact O-N 2.86Å; T561-T565 PolarHBondContact O-OG1 3.02Å; L562-T565 PolarHBondContact O-N 3.06Å; T565-V568 PolarHBondContact O-N 2.98Å; T565-Y569 WeakPolarHBondContact O-CB 3.27Å; T565-Y569 PolarHBondContact O-N 3.11Å
566V95.3Very high94.7Very high37 Ų3749.9 Ų49.922%0.22425%0.246CC..Hα-helixtrans-61.1-46.8177.5169.60000110.2V533 L556 L562 F564 Y569 F570V533-V566 HydrophobicContact CG1-CG1 4.19Å; V533-V566 HydrophobicContact CG2-CG1 3.86Å; L556-V566 HydrophobicContact CD1-CB 4.1Å; L556-V566 HydrophobicContact CD1-CG1 4.27Å; L556-V566 HydrophobicContact CD1-CG2 4.14Å; L562-V566 HydrophobicContact CD1-CG2 4.04Å; L562-V566 HydrophobicContact CG-CG2 4.33Å; L562-V566 WeakPolarHBondContact O-CB 3.38Å; L562-V566 VanDerWaalsContact O-CG2 3.3Å; L562-V566 WeakPolarHBondContact O-CG2 3.4Å; L562-V566 PolarHBondContact O-N 2.82Å; F564-V566 PolarHBondContact O-N 2.89Å; V566-Y569 PolarHBondContact O-N 2.92Å; V566-F570 HydrophobicContact CG1-CD2 3.86Å; V566-F570 HydrophobicContact CG1-CE2 3.97Å; V566-F570 WeakPolarHBondContact O-CD2 3.37Å; V566-F570 PolarHBondContact O-N 3.38Å
567F95.9Very high94.8Very high64 Ų6448.8 Ų48.828%0.28124%0.241SC..Hα-helixtrans-63.7-46.1-179.3-169.8-96.4000112.7L526 A529 T530 R563 F564 Y569 F570 Y571L526-F567 HydrophobicContact CD1-CE1 3.47Å; L526-F567 VanDerWaalsContact CD1-CE1 3.47Å; L526-F567 HydrophobicContact CD1-CZ 3.42Å; L526-F567 VanDerWaalsContact CD1-CZ 3.42Å; L526-F567 HydrophobicContact CG-CZ 4.1Å; A529-F567 HydrophobicContact CB-CE2 4.25Å; A529-F567 HydrophobicContact CB-CZ 4.41Å; T530-F567 WeakPolarHBondContact OG1-CE2 3.44Å; R563-F567 WeakPolarHBondContact O-CB 3.22Å; R563-F567 PolarHBondContact O-N 3.34Å; F564-F567 PolarHBondContact O-N 3.03Å; F567-Y569 VanDerWaalsContact C-N 3.32Å; F567-Y569 PolarHBondContact O-N 3.27Å; F567-F570 PolarHBondContact O-N 3.05Å; F567-Y571 WeakPolarHBondContact O-CB 3.45Å; F567-Y571 PolarHBondContact O-N 3.17Å
568V96.1Very high94.8Very high34 Ų3445.3 Ų45.321%0.20622%0.224CC..Hα-helixtrans-60.4-43.1176.1168.60000110.8I18 F564 T565 Y571 C572I18-V568 HydrophobicContact CD1-CG1 4.35Å; I18-V568 HydrophobicContact CG2-CG1 4.04Å; F564-V568 HydrophobicContact CD1-CG2 4.08Å; F564-V568 HydrophobicContact CD2-CG2 4.24Å; F564-V568 HydrophobicContact CE1-CG2 3.7Å; F564-V568 HydrophobicContact CE2-CG2 3.88Å; F564-V568 HydrophobicContact CG-CG2 4.34Å; F564-V568 HydrophobicContact CZ-CG2 3.59Å; F564-V568 WeakPolarHBondContact O-CB 3.49Å; F564-V568 VanDerWaalsContact O-CG2 3.3Å; F564-V568 WeakPolarHBondContact O-CG2 3.39Å; F564-V568 PolarHBondContact O-N 3.3Å; T565-V568 PolarHBondContact O-N 2.98Å; V568-Y571 PolarHBondContact O-N 3.34Å; V568-C572 WeakPolarHBondContact O-CB 3.37Å; V568-C572 PolarHBondContact O-N 3.47Å; V568-C572 PolarHBondContact O-SG 3.21Å
569Y96.1Very high94.8Very high27 Ų2740 Ų4011%0.10620%0.2CC..Hα-helixtrans-58.8-53.7175.3169-108.8000111.7I22 P23 Y331 T565 V566 F567 Y571 C572 Q573I22-Y569 HydrophobicContact CB-CD2 4.16Å; I22-Y569 HydrophobicContact CG2-CD2 4.14Å; I22-Y569 HydrophobicContact CG2-CG 4.27Å; P23-Y569 HydrophobicContact CG-CD2 4.03Å; P23-Y569 HydrophobicContact CG-CE2 3.25Å; Y331-Y569 WeakPolarHBondContact CE2-OH 3.28Å; T565-Y569 WeakPolarHBondContact O-CB 3.27Å; T565-Y569 PolarHBondContact O-N 3.11Å; V566-Y569 PolarHBondContact O-N 2.92Å; F567-Y569 VanDerWaalsContact C-N 3.32Å; F567-Y569 PolarHBondContact O-N 3.27Å; Y569-Y571 VanDerWaalsContact C-N 3.32Å; Y569-Y571 PolarHBondContact O-N 3.05Å; Y569-C572 PolarHBondContact O-N 2.92Å; Y569-Q573 HydrophobicContact CE2-CB 4.16Å; Y569-Q573 VanDerWaalsContact O-CB 3.24Å; Y569-Q573 WeakPolarHBondContact O-CB 3.48Å; Y569-Q573 PolarHBondContact O-N 3.46Å
570F96.1Very high94.8Very high40 Ų4041.8 Ų41.818%0.17521%0.209CC..Hα-helixtrans-57.4-46.1179.2-93.7-91000111.7A529 V533 V536 V566 F567 Q573 L574A529-F570 HydrophobicContact CB-CB 4.05Å; V533-F570 HydrophobicContact CG2-CB 4.15Å; V533-F570 HydrophobicContact CG2-CD1 4.42Å; V533-F570 HydrophobicContact CG2-CD2 3.53Å; V533-F570 HydrophobicContact CG2-CE2 3.98Å; V533-F570 HydrophobicContact CG2-CG 3.77Å; V536-F570 HydrophobicContact CB-CZ 4.31Å; V536-F570 HydrophobicContact CG2-CE1 4.29Å; V536-F570 HydrophobicContact CG2-CZ 3.64Å; V566-F570 HydrophobicContact CG1-CD2 3.86Å; V566-F570 HydrophobicContact CG1-CE2 3.97Å; V566-F570 WeakPolarHBondContact O-CD2 3.37Å; V566-F570 PolarHBondContact O-N 3.38Å; F567-F570 PolarHBondContact O-N 3.05Å; F570-Q573 PolarHBondContact O-N 3.45Å; F570-L574 WeakPolarHBondContact O-CB 3.5Å; F570-L574 WeakPolarHBondContact O-CG 3.46Å; F570-L574 PolarHBondContact O-N 3.24Å
571Y97.4Very high94.7Very high33 Ų3338.5 Ų38.513%0.12919%0.187CC..Hα-helixtrans-60.7-47.8178.8-179.8-101.5000111.9Y15 R522 L525 L526 F567 V568 Y569 L574 N575Y15-Y571 HydrophobicContact CE1-CD1 4.19Å; Y15-Y571 AromaticContact CE1-CE1 3.68Å; Y15-Y571 HydrophobicContact CE1-CE1 3.68Å; Y15-Y571 AromaticContact CZ-CE1 3.63Å; Y15-Y571 WeakPolarHBondContact OH-CE1 3.36Å; Y15-Y571 PolarHBondContact OH-OH 3.07Å; R522-Y571 WeakPolarHBondContact CG-OH 3.31Å; L525-Y571 HydrophobicContact CB-CD2 4.44Å; L525-Y571 HydrophobicContact CB-CE2 4.13Å; L526-Y571 HydrophobicContact CB-CD2 4.39Å; L526-Y571 HydrophobicContact CB-CE2 4.2Å; L526-Y571 HydrophobicContact CD1-CD2 4.22Å; L526-Y571 HydrophobicContact CD1-CE2 4.4Å; F567-Y571 WeakPolarHBondContact O-CB 3.45Å; F567-Y571 PolarHBondContact O-N 3.17Å; V568-Y571 PolarHBondContact O-N 3.34Å; Y569-Y571 VanDerWaalsContact C-N 3.32Å; Y569-Y571 PolarHBondContact O-N 3.05Å; Y571-L574 PolarHBondContact O-N 3.15Å; Y571-N575 WeakPolarHBondContact CE1-ND2 3.31Å; Y571-N575 PolarHBondContact O-N 2.93Å; Y571-N575 PolarHBondContact O-ND2 2.84Å
572C97.1Very high94.4Very high3 Ų337.9 Ų37.92%0.0219%0.186CC..Hα-helixtrans-66.4-41.4178.9-64.20000112.2Y15 I18 V568 Y569 L574 N575 F576Y15-C572 HydrophobicContact CD1-CB 4.27Å; I18-C572 HydrophobicContact CB-CB 3.97Å; I18-C572 HydrophobicContact CG2-CB 3.78Å; V568-C572 WeakPolarHBondContact O-CB 3.37Å; V568-C572 PolarHBondContact O-N 3.47Å; V568-C572 PolarHBondContact O-SG 3.21Å; Y569-C572 PolarHBondContact O-N 2.92Å; C572-L574 PolarHBondContact O-N 3.22Å; C572-N575 WeakPolarHBondContact O-CB 3.33Å; C572-N575 PolarHBondContact O-N 2.98Å; C572-F576 PolarHBondContact O-N 3.39Å
573Q95.9Very high94.2Very high24 Ų2443 Ų4311%0.11221%0.212CC..Hα-helixtrans-60.1-46.3176.4177.662.620.700111.3Y569 F570 N575 F576 V577Y569-Q573 HydrophobicContact CE2-CB 4.16Å; Y569-Q573 VanDerWaalsContact O-CB 3.24Å; Y569-Q573 WeakPolarHBondContact O-CB 3.48Å; Y569-Q573 PolarHBondContact O-N 3.46Å; F570-Q573 PolarHBondContact O-N 3.45Å; Q573-N575 VanDerWaalsContact C-N 3.33Å; Q573-N575 PolarHBondContact O-N 3.24Å; Q573-F576 PolarHBondContact O-N 2.94Å; Q573-V577 HydrophobicContact CG-CG2 4.43Å; Q573-V577 WeakPolarHBondContact O-CB 3.1Å; Q573-V577 WeakPolarHBondContact O-CG2 3.39Å; Q573-V577 PolarHBondContact O-N 3.36Å
574L96.1Very high93.9Very high13 Ų1343 Ų437%0.06822%0.216CC..Hα-helixtrans-68.2-33.5179.4-67.7174.9000112.3L412 L525 C528 A529 F570 Y571 C572 T578L412-L574 HydrophobicContact CD2-CB 4.22Å; L412-L574 HydrophobicContact CD2-CD2 3.64Å; L525-L574 HydrophobicContact CD2-CB 4.17Å; C528-L574 HydrophobicContact CB-CD1 3.78Å; A529-L574 HydrophobicContact CB-CD1 4.02Å; F570-L574 WeakPolarHBondContact O-CB 3.5Å; F570-L574 WeakPolarHBondContact O-CG 3.46Å; F570-L574 PolarHBondContact O-N 3.24Å; Y571-L574 PolarHBondContact O-N 3.15Å; C572-L574 PolarHBondContact O-N 3.22Å; L574-T578 WeakPolarHBondContact O-CB 3.16Å; L574-T578 PolarHBondContact O-N 3.1Å; L574-T578 PolarHBondContact O-OG1 3.47Å
575N95.7Very high93.4Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-61.4-48.9169.7-87.5-87.6000111.5Y15 R521 L525 Y571 C572 Q573 T578 D579Y15-N575 HydrophobicContact CD2-CB 3.43Å; Y15-N575 VanDerWaalsContact CD2-CB 3.43Å; Y15-N575 VanDerWaalsContact CD2-CG 3.49Å; Y15-N575 WeakPolarHBondContact CD2-OD1 3.28Å; Y15-N575 HydrophobicContact CE2-CB 3.96Å; Y15-N575 VanDerWaalsContact CE2-CG 3.45Å; Y15-N575 WeakPolarHBondContact CE2-OD1 3.35Å; Y15-N575 HydrophobicContact CG-CB 3.81Å; R521-N575 PolarHBondContact NH1-OD1 3.3Å; R521-N575 PolarHBondContact NH2-O 2.9Å; R521-N575 PolarHBondContact NH2-OD1 2.83Å; L525-N575 HydrophobicContact CD1-CB 4.28Å; L525-N575 WeakPolarHBondContact CD1-OD1 3.33Å; Y571-N575 WeakPolarHBondContact CE1-ND2 3.31Å; Y571-N575 PolarHBondContact O-N 2.93Å; Y571-N575 PolarHBondContact O-ND2 2.84Å; C572-N575 WeakPolarHBondContact O-CB 3.33Å; C572-N575 PolarHBondContact O-N 2.98Å; Q573-N575 VanDerWaalsContact C-N 3.33Å; Q573-N575 PolarHBondContact O-N 3.24Å; N575-T578 WeakPolarHBondContact O-CB 3.32Å; N575-T578 PolarHBondContact O-N 3.32Å; N575-D579 PolarHBondContact O-N 3.44Å; N575-D579 VanDerWaalsContact O-N 3.1Å
576F95.1Very high92.7Very high42 Ų4241.3 Ų41.318%0.18422%0.223CC..Hα-helixtrans-60.1-47.7177.6173.8-142.5000111.8I16 A19 C572 Q573 T578 D579 L580I16-F576 HydrophobicContact CD1-CD2 4.34Å; I16-F576 HydrophobicContact CG1-CB 4.49Å; I16-F576 HydrophobicContact CG1-CD2 3.62Å; I16-F576 HydrophobicContact CG1-CE2 4.07Å; I16-F576 HydrophobicContact CG1-CG 4.22Å; I16-F576 HydrophobicContact CG2-CE2 4.46Å; A19-F576 HydrophobicContact CB-CB 4.26Å; A19-F576 HydrophobicContact CB-CD1 4.1Å; C572-F576 PolarHBondContact O-N 3.39Å; Q573-F576 PolarHBondContact O-N 2.94Å; F576-T578 VanDerWaalsContact C-N 3.31Å; F576-T578 PolarHBondContact O-N 3.28Å; F576-D579 PolarHBondContact O-N 3.08Å; F576-D579 VanDerWaalsContact O-N 3.12Å; F576-L580 HydrophobicContact CD1-CD1 4.22Å; F576-L580 HydrophobicContact CD2-CD1 4.09Å; F576-L580 HydrophobicContact CD2-CD2 4.46Å; F576-L580 HydrophobicContact CD2-CG 3.85Å; F576-L580 HydrophobicContact CE1-CD1 3.81Å; F576-L580 HydrophobicContact CE2-CD1 3.68Å; F576-L580 HydrophobicContact CE2-CD2 3.67Å; F576-L580 HydrophobicContact CE2-CG 3.49Å; F576-L580 VanDerWaalsContact CE2-CG 3.49Å; F576-L580 HydrophobicContact CG-CD1 4.36Å; F576-L580 HydrophobicContact CZ-CD1 3.54Å; F576-L580 HydrophobicContact CZ-CD2 4.01Å; F576-L580 HydrophobicContact CZ-CG 3.89Å; F576-L580 WeakPolarHBondContact O-CG 3.3Å; F576-L580 PolarHBondContact O-N 3.18Å
577V94.1Very high92Very high1 Ų141.8 Ų41.81%0.00622%0.223CC..Hα-helixtrans-61.4-39.3177.9170.70000112L409 H410 L412 Q573 D579 L580 R581L409-V577 WeakPolarHBondContact O-CG2 3.43Å; H410-V577 WeakPolarHBondContact O-CG1 3.19Å; L412-V577 HydrophobicContact CD2-CB 4.15Å; L412-V577 HydrophobicContact CD2-CG1 3.79Å; L412-V577 HydrophobicContact CG-CG1 4.39Å; Q573-V577 HydrophobicContact CG-CG2 4.43Å; Q573-V577 WeakPolarHBondContact O-CB 3.1Å; Q573-V577 WeakPolarHBondContact O-CG2 3.39Å; Q573-V577 PolarHBondContact O-N 3.36Å; V577-D579 VanDerWaalsContact C-N 3.3Å; V577-D579 PolarHBondContact O-N 3.14Å; V577-L580 PolarHBondContact O-N 3.25Å; V577-R581 WeakPolarHBondContact O-CG 3.26Å; V577-R581 PolarHBondContact O-N 2.89Å
578T93.4Very high91.2Very high32 Ų3242 Ų4220%0.19622%0.222CC..Hα-helixtrans-60.4-43175.2-60.70000111.1L525 L574 N575 F576 R581 S582L525-T578 WeakPolarHBondContact CD2-OG1 3.3Å; L574-T578 WeakPolarHBondContact O-CB 3.16Å; L574-T578 PolarHBondContact O-N 3.1Å; L574-T578 PolarHBondContact O-OG1 3.47Å; N575-T578 WeakPolarHBondContact O-CB 3.32Å; N575-T578 PolarHBondContact O-N 3.32Å; F576-T578 VanDerWaalsContact C-N 3.31Å; F576-T578 PolarHBondContact O-N 3.28Å; T578-R581 PolarHBondContact O-N 3.47Å; T578-S582 PolarHBondContact O-N 2.95Å
579D92.4Very high90Very high13 Ų1340.9 Ų40.97%0.0722%0.215CC..Hα-helixtrans-70.5-39.2177.6-66-21.9000111.3R12 R521 N575 F576 V577 R581 S582 L583R12-D579 WeakPolarHBondContact CD-OD2 3.19Å; R12-D579 WeakPolarHBondContact CG-OD2 3.41Å; R12-D579 IonicContact CZ-OD1 2.76Å; R12-D579 IonicContact CZ-OD2 3.98Å; R12-D579 VanDerWaalsContact NE-CG 3.34Å; R12-D579 IonicContact NE-OD1 3.72Å; R12-D579 PolarHBondContact NE-OD1 3.24Å; R12-D579 IonicContact NE-OD2 3.92Å; R12-D579 PolarHBondContact NE-OD2 2.68Å; R12-D579 IonicContact NH2-OD1 2.94Å; R12-D579 PolarHBondContact NH2-OD1 2.84Å; R12-D579 IonicContact NH2-OD2 3.41Å; R521-D579 IonicContact CZ-OD1 2.83Å; R521-D579 IonicContact NH2-OD1 2.92Å; R521-D579 PolarHBondContact NH2-OD1 3.43Å; R521-D579 IonicContact NH2-OD2 3.73Å; N575-D579 PolarHBondContact O-N 3.44Å; N575-D579 VanDerWaalsContact O-N 3.1Å; F576-D579 PolarHBondContact O-N 3.08Å; F576-D579 VanDerWaalsContact O-N 3.12Å; V577-D579 VanDerWaalsContact C-N 3.3Å; V577-D579 PolarHBondContact O-N 3.14Å; D579-R581 PolarHBondContact O-N 3.45Å; D579-S582 WeakPolarHBondContact O-CA 3.18Å; D579-S582 WeakPolarHBondContact O-CB 3.45Å; D579-S582 PolarHBondContact O-N 2.93Å; D579-S582 PolarHBondContact O-OG 3.48Å; D579-L583 PolarHBondContact O-N 2.97Å
580L91.2Very high88.6Confident38 Ų3842.2 Ų42.220%0.19923%0.225CC..Hα-helixtrans-58.5-43.8172.3-75.4176.4000112.5F576 V577 S582 L583 F584F576-L580 HydrophobicContact CD1-CD1 4.22Å; F576-L580 HydrophobicContact CD2-CD1 4.09Å; F576-L580 HydrophobicContact CD2-CD2 4.46Å; F576-L580 HydrophobicContact CD2-CG 3.85Å; F576-L580 HydrophobicContact CE1-CD1 3.81Å; F576-L580 HydrophobicContact CE2-CD1 3.68Å; F576-L580 HydrophobicContact CE2-CD2 3.67Å; F576-L580 HydrophobicContact CE2-CG 3.49Å; F576-L580 VanDerWaalsContact CE2-CG 3.49Å; F576-L580 HydrophobicContact CG-CD1 4.36Å; F576-L580 HydrophobicContact CZ-CD1 3.54Å; F576-L580 HydrophobicContact CZ-CD2 4.01Å; F576-L580 HydrophobicContact CZ-CG 3.89Å; F576-L580 WeakPolarHBondContact O-CG 3.3Å; F576-L580 PolarHBondContact O-N 3.18Å; V577-L580 PolarHBondContact O-N 3.25Å; L580-S582 PolarHBondContact O-N 3.27Å; L580-L583 PolarHBondContact O-N 2.84Å; L580-F584 HydrophobicContact CD2-CD2 4.31Å; L580-F584 HydrophobicContact CD2-CE2 4.26Å; L580-F584 PolarHBondContact O-N 3.34Å
581R90.3Very high87.2Confident8 Ų844 Ų443%0.0323%0.232CC..Hα-helixtrans-64.5-26.1175.2-74.8176.8179-147.5-5.3112.9H410 E416 V577 T578 D579 I587 R588H410-R581 VanDerWaalsContact O-CZ 3.29Å; H410-R581 PolarHBondContact O-NE 2.97Å; H410-R581 PolarHBondContact O-NH2 3.36Å; E416-R581 IonicContact OE1-CZ 3.42Å; E416-R581 IonicContact OE1-NH1 3.33Å; E416-R581 IonicContact OE1-NH2 3.13Å; E416-R581 PolarHBondContact OE1-NH2 2.98Å; E416-R581 IonicContact OE2-CZ 2.67Å; E416-R581 IonicContact OE2-NH1 3.5Å; E416-R581 PolarHBondContact OE2-NH1 2.86Å; E416-R581 IonicContact OE2-NH2 3.29Å; E416-R581 PolarHBondContact OE2-NH2 3.26Å; V577-R581 WeakPolarHBondContact O-CG 3.26Å; V577-R581 PolarHBondContact O-N 2.89Å; T578-R581 PolarHBondContact O-N 3.47Å; D579-R581 PolarHBondContact O-N 3.45Å; R581-I587 HydrophobicContact CG-CB 4.48Å; R581-I587 HydrophobicContact CG-CG2 4.07Å; R581-R588 HydrophobicContact CB-CG 4.1Å; R581-R588 HydrophobicContact CG-CG 4.43Å; R581-R588 PolarHBondContact O-NE 3.13Å; R581-R588 PolarHBondContact O-NH2 3.31Å
582S87.3Confident85.3Confident60 Ų6045.1 Ų45.142%0.4224%0.239SC..Hα-helixtrans-73.7-41.3174.6810000111.5T578 D579 L580T578-S582 PolarHBondContact O-N 2.95Å; D579-S582 WeakPolarHBondContact O-CA 3.18Å; D579-S582 WeakPolarHBondContact O-CB 3.45Å; D579-S582 PolarHBondContact O-N 2.93Å; D579-S582 PolarHBondContact O-OG 3.48Å; L580-S582 PolarHBondContact O-N 3.27Å
583L88.7Confident83.4Confident123 Ų12348.4 Ų48.464%0.64425%0.252SS*.Hα-helixtrans-76.2-37.2179.8-67.2172.3000112.9D579 L580 P585D579-L583 PolarHBondContact O-N 2.97Å; L580-L583 PolarHBondContact O-N 2.84Å; L583-P585 WeakPolarHBondContact O-CD 3.45Å
584F88.4Confident80.9Confident112 Ų11256 Ų5649%0.49128%0.28SS..  trans-122.384.9-177.9-56.4-73.8000109.9L580 S586 I587L580-F584 HydrophobicContact CD2-CD2 4.31Å; L580-F584 HydrophobicContact CD2-CE2 4.26Å; L580-F584 PolarHBondContact O-N 3.34Å; F584-S586 PolarHBondContact O-N 3.35Å; F584-I587 HydrophobicContact CB-CD1 3.69Å; F584-I587 HydrophobicContact CB-CG1 3.9Å; F584-I587 HydrophobicContact CD2-CD1 4.29Å; F584-I587 HydrophobicContact CG-CD1 4.32Å; F584-I587 WeakPolarHBondContact O-CB 3.42Å; F584-I587 PolarHBondContact O-N 3.13Å
585P84.2Confident78.2Confident73 Ų7358 Ų5847%0.47430%0.295SS..G310 helixtrans-57-20.9178.6-26.434.9000114.1L583 I587 R588 K593L583-P585 WeakPolarHBondContact O-CD 3.45Å; P585-I587 PolarHBondContact O-N 2.97Å; P585-R588 WeakPolarHBondContact O-CB 3.47Å; P585-R588 PolarHBondContact O-N 3.45Å; P585-R588 VanDerWaalsContact O-N 3.1Å; P585-K593 WeakPolarHBondContact O-CE 3.4Å
586S80.2Confident75.5Confident91 Ų9161 Ų6164%0.63631%0.311SS*.G310 helixtrans-59-28.6173.656.20000113.3F584 R588 K593F584-S586 PolarHBondContact O-N 3.35Å; S586-R588 VanDerWaalsContact C-N 3.33Å; S586-K593 PolarHBondContact O-NZ 3.4Å
587I79.5Confident72.7Confident47 Ų4764.5 Ų64.524%0.24133%0.332CS..G310 helixtrans-76.4-20.9178.8-57.6178.6000111.7H410 R581 F584 P585H410-I587 HydrophobicContact CB-CG2 4.27Å; R581-I587 HydrophobicContact CG-CB 4.48Å; R581-I587 HydrophobicContact CG-CG2 4.07Å; F584-I587 HydrophobicContact CB-CD1 3.69Å; F584-I587 HydrophobicContact CB-CG1 3.9Å; F584-I587 HydrophobicContact CD2-CD1 4.29Å; F584-I587 HydrophobicContact CG-CD1 4.32Å; F584-I587 WeakPolarHBondContact O-CB 3.42Å; F584-I587 PolarHBondContact O-N 3.13Å; P585-I587 PolarHBondContact O-N 2.97Å
588R78.9Confident70.1Confident69 Ų6971.3 Ų71.326%0.2637%0.367SS..SBendtrans-63.6140.7180-63.8-175.5-166.5178.43.3110.2R581 P585 S586 K593R581-R588 HydrophobicContact CB-CG 4.1Å; R581-R588 HydrophobicContact CG-CG 4.43Å; R581-R588 PolarHBondContact O-NE 3.13Å; R581-R588 PolarHBondContact O-NH2 3.31Å; P585-R588 WeakPolarHBondContact O-CB 3.47Å; P585-R588 PolarHBondContact O-N 3.45Å; P585-R588 VanDerWaalsContact O-N 3.1Å; S586-R588 VanDerWaalsContact C-N 3.33Å; R588-K593 WeakPolarHBondContact O-CE 3.39Å; R588-K593 PolarHBondContact O-NZ 2.94Å
589P71.7Confident67.3Low9 Ų980.5 Ų80.56%0.05840%0.398CS..  trans-61.3146.2174.127.5-36.5000110.7E416 F591 E592 K593E416-P589 HydrophobicContact CG-CB 4.07Å; E416-P589 HydrophobicContact CG-CG 4.08Å; E416-P589 WeakPolarHBondContact OE1-CB 3.21Å; E416-P589 WeakPolarHBondContact OE1-CD 3.49Å; E416-P589 VanDerWaalsContact OE1-CG 3.22Å; E416-P589 WeakPolarHBondContact OE1-CG 3.47Å; P589-F591 HydrophobicContact CB-CD1 3.82Å; P589-F591 HydrophobicContact CB-CE1 3.42Å; P589-F591 VanDerWaalsContact CB-CE1 3.42Å; P589-F591 HydrophobicContact CB-CZ 4Å; P589-F591 HydrophobicContact CG-CD1 4.26Å; P589-F591 HydrophobicContact CG-CE1 3.6Å; P589-F591 HydrophobicContact CG-CE2 4.3Å; P589-F591 HydrophobicContact CG-CZ 3.6Å; P589-F591 PolarHBondContact O-N 3.02Å; P589-F591 VanDerWaalsContact O-N 3.08Å; P589-E592 HydrophobicContact CG-CB 4.44Å; P589-E592 HydrophobicContact CG-CG 3.98Å; P589-E592 WeakPolarHBondContact O-CB 3.44Å; P589-E592 PolarHBondContact O-N 3.23Å; P589-K593 PolarHBondContact O-N 2.68Å
590D66.6Low64.5Low56 Ų5690.9 Ų90.930%0.29944%0.443SS..Hα-helixtrans-63.4-24.2-168.4-57.7-41.7000114.4E592 K593 R594D590-E592 VanDerWaalsContact C-N 3.28Å; D590-E592 PolarHBondContact O-N 2.79Å; D590-K593 PolarHBondContact O-N 3.4Å; D590-K593 IonicContact OD1-NZ 2.64Å; D590-K593 PolarHBondContact OD1-NZ 3.45Å; D590-R594 PolarHBondContact O-N 3.43Å; D590-R594 VanDerWaalsContact O-N 3.17Å
591F65.9Low63.2Low78 Ų7893.6 Ų93.634%0.34246%0.455SS..Hα-helixtrans-68.7-28175.367.1-97.4000112.6E416 P589 S595E416-F591 HydrophobicContact CG-CE1 4.03Å; E416-F591 HydrophobicContact CG-CZ 4.21Å; P589-F591 HydrophobicContact CB-CD1 3.82Å; P589-F591 HydrophobicContact CB-CE1 3.42Å; P589-F591 VanDerWaalsContact CB-CE1 3.42Å; P589-F591 HydrophobicContact CB-CZ 4Å; P589-F591 HydrophobicContact CG-CD1 4.26Å; P589-F591 HydrophobicContact CG-CE1 3.6Å; P589-F591 HydrophobicContact CG-CE2 4.3Å; P589-F591 HydrophobicContact CG-CZ 3.6Å; P589-F591 PolarHBondContact O-N 3.02Å; P589-F591 VanDerWaalsContact O-N 3.08Å; F591-S595 PolarHBondContact O-N 3.1Å
592E58.9Low61.7Low55 Ų5598.1 Ų98.126%0.25748%0.477SS..Hα-helixtrans-75-37.2172.8-70.9-177.5177.400111.1P589 D590 R594 S595 N596P589-E592 HydrophobicContact CG-CB 4.44Å; P589-E592 HydrophobicContact CG-CG 3.98Å; P589-E592 WeakPolarHBondContact O-CB 3.44Å; P589-E592 PolarHBondContact O-N 3.23Å; D590-E592 VanDerWaalsContact C-N 3.28Å; D590-E592 PolarHBondContact O-N 2.79Å; E592-R594 PolarHBondContact O-N 3.19Å; E592-S595 PolarHBondContact O-N 3.34Å; E592-S595 PolarHBondContact O-OG 3.17Å; E592-N596 PolarHBondContact O-N 3.38Å; E592-N596 PolarHBondContact O-ND2 3.27Å
593K57.1Low60.3Low72 Ų72100.2 Ų100.231%0.31348%0.48SS..Hα-helixtrans-56.8-51176-63.3178.8-174.2149.10110.5P585 S586 R588 P589 D590 S595 N596 D597P585-K593 WeakPolarHBondContact O-CE 3.4Å; S586-K593 PolarHBondContact O-NZ 3.4Å; R588-K593 WeakPolarHBondContact O-CE 3.39Å; R588-K593 PolarHBondContact O-NZ 2.94Å; P589-K593 PolarHBondContact O-N 2.68Å; D590-K593 PolarHBondContact O-N 3.4Å; D590-K593 IonicContact OD1-NZ 2.64Å; D590-K593 PolarHBondContact OD1-NZ 3.45Å; K593-S595 VanDerWaalsContact C-N 3.28Å; K593-S595 PolarHBondContact O-N 3.07Å; K593-N596 PolarHBondContact O-N 3.09Å; K593-D597 PolarHBondContact O-N 3.39Å
594R43Very low58.6Low184 Ų18498.8 Ų98.869%0.69447%0.471SS*.Hα-helixtrans-61.5-31178.5-66.4-176.9-169-167.91.9114.1D590 E592 N596 I598D590-R594 PolarHBondContact O-N 3.43Å; D590-R594 VanDerWaalsContact O-N 3.17Å; E592-R594 PolarHBondContact O-N 3.19Å; R594-N596 VanDerWaalsContact C-N 3.35Å; R594-I598 WeakPolarHBondContact O-CD1 3.37Å; R594-I598 WeakPolarHBondContact O-CG1 3.44Å; R594-I598 PolarHBondContact O-N 3.34Å
595S39.7Very low56.8Low55 Ų5598 Ų9839%0.38547%0.469SS..Hα-helixtrans-72.9-27.6179.771.50000113.5F591 E592 K593F591-S595 PolarHBondContact O-N 3.1Å; E592-S595 PolarHBondContact O-N 3.34Å; E592-S595 PolarHBondContact O-OG 3.17Å; K593-S595 VanDerWaalsContact C-N 3.28Å; K593-S595 PolarHBondContact O-N 3.07Å
596N39.4Very low55Low63 Ų6399.7 Ų99.734%0.33747%0.469SS..Hα-helixtrans-81.8-31.5177.1-70.2-35.4000111.9E592 K593 R594 I598 R599 K600E592-N596 PolarHBondContact O-N 3.38Å; E592-N596 PolarHBondContact O-ND2 3.27Å; K593-N596 PolarHBondContact O-N 3.09Å; R594-N596 VanDerWaalsContact C-N 3.35Å; N596-I598 PolarHBondContact O-N 3.15Å; N596-R599 PolarHBondContact O-N 3.07Å; N596-R599 VanDerWaalsContact O-N 3.13Å; N596-K600 PolarHBondContact O-N 2.95Å; N596-K600 VanDerWaalsContact O-N 3.13Å
597D36.7Very low53.2Low115 Ų115100.3 Ų100.362%0.61546%0.457SS*.Hα-helixtrans-69.3-18.2174.5-62.6-24.8000112.7K593K593-D597 PolarHBondContact O-N 3.39Å
598I38.2Very low51.1Low145 Ų145104.4 Ų104.474%0.74447%0.474SS*.THydrogen-bonded Turntrans-89-14.4173.8-63.5166.6000111.6R594 N596R594-I598 WeakPolarHBondContact O-CD1 3.37Å; R594-I598 WeakPolarHBondContact O-CG1 3.44Å; R594-I598 PolarHBondContact O-N 3.34Å; N596-I598 PolarHBondContact O-N 3.15Å
599R36.1Very low48.8Very low224 Ų224107.3 Ų107.385%0.84549%0.492SS*.THydrogen-bonded Turntrans-103.4-8.4178.8-75.7-173.3-174.8-170.4-0.1114.1N596N596-R599 PolarHBondContact O-N 3.07Å; N596-R599 VanDerWaalsContact O-N 3.13Å
600K32.6Very low46.7Very low232 Ų232116.3 Ų116.3100%1.00953%0.531SS*.  trans-98.30166.4-72.2-175.2176.6-175.30108.4N596N596-K600 PolarHBondContact O-N 2.95Å; N596-K600 VanDerWaalsContact O-N 3.13Å

Retrieved 600 of 600 residues in 1096.2 ms (Link to these results)

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