A0A096MY04_PAPAN Loading...

Syntaxin-binding protein 3

Together with STX4 and VAMP2, may play a role in insulin-dependent movement of GLUT4 and in docking/fusion of intracellular GLUT4-containing vesicles with the cell surface in adipocytes.

AlphaFold DB , UniProt , Accession A0A096MY04, Species PAPAN (Papio anubis, Olive baboon), Gene STXBP3, Length 592 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
1M26.1Very low55.2Low243 Ų24384.1 Ų84.1100%1.19749%0.487SS*.  0124.10-81.8169.7168.300106.9
2A26.3Very low58.4Low83 Ų8379.5 Ų79.569%0.68646%0.463SS*.PPolyproline II helixtrans-64.8138170.800000108
3P28.3Very low61.1Low51 Ų5176.5 Ų76.533%0.33145%0.446SS..PPolyproline II helixtrans-59.6151.4176.123.7-31000110.4E7P3-E7 HydrophobicContact CB-CB 4.13Å; P3-E7 WeakPolarHBondContact CB-OE2 3.47Å
4P34.9Very low63.6Low84 Ų8471 Ų7155%0.54542%0.415SS..PPolyproline II helixtrans-56.6149.217923.8-31.9000110.7A6 E7P4-A6 PolarHBondContact O-N 3.43Å; P4-E7 HydrophobicContact CG-CG 4.36Å; P4-E7 PolarHBondContact O-N 2.93Å
5V42.4Very low65.7Low125 Ų12568.2 Ų68.276%0.75839%0.394SS*.Hα-helixtrans-50.2-28.8-178.1179.50000112.7E7 R8 G9V5-E7 VanDerWaalsContact C-N 3.3Å; V5-E7 PolarHBondContact O-N 3.27Å; V5-R8 PolarHBondContact O-N 2.64Å; V5-G9 PolarHBondContact O-N 3.1Å
6A45.5Very low67.4Low84 Ų8470.4 Ų70.469%0.69440%0.4SS*.Hα-helixtrans-61.1-29175.200000114.7P4P4-A6 PolarHBondContact O-N 3.43Å
7E56.9Low68.9Low123 Ų12367.7 Ų67.758%0.57538%0.383SS*.Hα-helixtrans-79.4-19.4178.8-75.8-177.1-172.500112.8P3 P4 V5 S12P3-E7 HydrophobicContact CB-CB 4.13Å; P3-E7 WeakPolarHBondContact CB-OE2 3.47Å; P4-E7 HydrophobicContact CG-CG 4.36Å; P4-E7 PolarHBondContact O-N 2.93Å; V5-E7 VanDerWaalsContact C-N 3.3Å; V5-E7 PolarHBondContact O-N 3.27Å; E7-S12 PolarHBondContact O-OG 3.21Å
8R69.4Low70.4Confident90 Ų9063.9 Ų63.934%0.3436%0.361SS..Hα-helixtrans-100.1-14.1-176.3-67.2-171.5177-156.1-8.6115V5 K526V5-R8 PolarHBondContact O-N 2.64Å; R8-K526 PolarHBondContact NH2-O 2.88Å
9G88.9Confident71.7Confident8 Ų863.6 Ų63.68%0.08236%0.356CS..SBendtrans-60.8148.3-178.200000112.7V5 K11 S12 V13V5-G9 PolarHBondContact O-N 3.1Å; G9-K11 VanDerWaalsContact C-N 3.25Å; G9-K11 PolarHBondContact O-N 2.86Å; G9-S12 WeakPolarHBondContact O-CA 3.19Å; G9-S12 VanDerWaalsContact O-CB 3.31Å; G9-S12 WeakPolarHBondContact O-CB 3.35Å; G9-S12 PolarHBondContact O-N 2.71Å; G9-V13 PolarHBondContact O-N 3.39Å
10L94.1Very high72.7Confident2 Ų263.4 Ų63.41%0.0136%0.362CS..Hα-helixtrans-54.8-37.8-175.5-168.964.8000113.5S12 V13 V14 F140 P142 S145 L188L10-S12 VanDerWaalsContact C-N 3.35Å; L10-S12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.33Å; L10-V14 WeakPolarHBondContact O-CB 3.47Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.17Å; L10-F140 HydrophobicContact CD1-CE2 4.01Å; L10-F140 HydrophobicContact CD1-CZ 4.17Å; L10-F140 HydrophobicContact CD2-CE2 3.83Å; L10-F140 HydrophobicContact CG-CE2 4Å; L10-P142 HydrophobicContact CB-CB 4.29Å; L10-P142 HydrophobicContact CD2-CB 4.04Å; L10-P142 HydrophobicContact CG-CB 3.82Å; L10-S145 WeakPolarHBondContact CB-O 3.2Å; L10-S145 PolarHBondContact N-O 3.24Å; L10-L188 HydrophobicContact CD1-CD2 3.79Å; L10-L188 HydrophobicContact CD1-CG 4.49Å
11K94.6Very high73.7Confident32 Ų3261.4 Ų61.414%0.13935%0.351CS..Hα-helixtrans-57.3-45.3173-69.7-172.8175.7-149.20112.6G9 W15 S47 C48 P142 H143 E284G9-K11 VanDerWaalsContact C-N 3.25Å; G9-K11 PolarHBondContact O-N 2.86Å; K11-W15 WeakPolarHBondContact O-CB 3.44Å; K11-W15 PolarHBondContact O-N 3.05Å; K11-S47 VanDerWaalsContact CD-O 3.26Å; K11-S47 WeakPolarHBondContact CD-O 3.44Å; K11-S47 VanDerWaalsContact CE-O 3.25Å; K11-S47 WeakPolarHBondContact CE-O 3.21Å; K11-S47 PolarHBondContact NZ-O 3.2Å; K11-C48 HydrophobicContact CB-CB 4.31Å; K11-C48 WeakPolarHBondContact O-CB 3.32Å; K11-P142 VanDerWaalsContact CE-O 3.27Å; K11-P142 WeakPolarHBondContact CE-O 3.41Å; K11-P142 HydrophobicContact CG-CB 4.05Å; K11-P142 HydrophobicContact CG-CG 4.31Å; K11-P142 VanDerWaalsContact CG-O 3.26Å; K11-P142 WeakPolarHBondContact CG-O 3.26Å; K11-H143 WeakPolarHBondContact CE-O 3.49Å; K11-E284 WeakPolarHBondContact CD-OE2 3.49Å
12S93.1Very high76.9Confident29 Ų2949.9 Ų49.920%0.20329%0.294CS..Hα-helixtrans-64.4-47.2176.8-1790000110.7E7 G9 L10 V14 W15 Q16E7-S12 PolarHBondContact O-OG 3.21Å; G9-S12 WeakPolarHBondContact O-CA 3.19Å; G9-S12 VanDerWaalsContact O-CB 3.31Å; G9-S12 WeakPolarHBondContact O-CB 3.35Å; G9-S12 PolarHBondContact O-N 2.71Å; L10-S12 VanDerWaalsContact C-N 3.35Å; L10-S12 PolarHBondContact O-N 3.45Å; S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.38Å; S12-W15 PolarHBondContact O-N 3.5Å; S12-Q16 WeakPolarHBondContact O-CB 3.44Å; S12-Q16 VanDerWaalsContact O-CG 3.27Å; S12-Q16 WeakPolarHBondContact O-CG 3.49Å; S12-Q16 PolarHBondContact O-N 3.09Å
13V93.5Very high80.1Confident40 Ų4046 Ų4624%0.24226%0.262CS..Hα-helixtrans-57.3-47.9179.1176.30000111.2G9 L10 K17 T187G9-V13 PolarHBondContact O-N 3.39Å; L10-V13 PolarHBondContact O-N 3.33Å; V13-K17 WeakPolarHBondContact O-CB 3.38Å; V13-K17 PolarHBondContact O-N 2.93Å; V13-T187 HydrophobicContact CG1-CG2 4.09Å; V13-T187 WeakPolarHBondContact CG1-O 3.36Å
14V95.9Very high83.2Confident0 Ų047.2 Ų47.20%027%0.266CS..Hα-helixtrans-62.8-48.4177.3170.60000111L10 S12 Q16 K17 I18 L44 I138 F140 P142 T187L10-V14 WeakPolarHBondContact O-CB 3.47Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.17Å; S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.38Å; V14-Q16 PolarHBondContact O-N 3.42Å; V14-K17 PolarHBondContact O-N 2.95Å; V14-I18 HydrophobicContact CG1-CD1 3.7Å; V14-I18 HydrophobicContact CG1-CG1 4.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.44Å; V14-I18 PolarHBondContact O-N 3.08Å; V14-L44 HydrophobicContact CG1-CD1 3.85Å; V14-I138 HydrophobicContact CG1-CD1 4.4Å; V14-I138 HydrophobicContact CG1-CG2 4.21Å; V14-F140 HydrophobicContact CG2-CE2 3.79Å; V14-F140 HydrophobicContact CG2-CZ 3.56Å; V14-P142 HydrophobicContact CB-CB 4.48Å; V14-P142 HydrophobicContact CB-CG 4.06Å; V14-P142 HydrophobicContact CG1-CG 4.12Å; V14-P142 HydrophobicContact CG2-CB 4.02Å; V14-P142 HydrophobicContact CG2-CG 4Å; V14-T187 HydrophobicContact CG2-CG2 4.03Å
15W95.3Very high85.9Confident29 Ų2945.5 Ų45.511%0.1125%0.252CS..Hα-helixtrans-59.2-46.9179.2172.9-118.7000112.4K11 S12 K17 I18 K19 F23 C48 C49 D53 L54 E57K11-W15 WeakPolarHBondContact O-CB 3.44Å; K11-W15 PolarHBondContact O-N 3.05Å; S12-W15 PolarHBondContact O-N 3.5Å; W15-K17 VanDerWaalsContact C-N 3.31Å; W15-K17 PolarHBondContact O-N 3.4Å; W15-I18 PolarHBondContact O-N 3.06Å; W15-K19 VanDerWaalsContact O-CB 3.3Å; W15-K19 WeakPolarHBondContact O-CB 3.25Å; W15-K19 PolarHBondContact O-N 3.44Å; W15-F23 HydrophobicContact CH2-CD2 4.2Å; W15-F23 AromaticContact CH2-CE2 3.82Å; W15-F23 HydrophobicContact CH2-CE2 3.82Å; W15-F23 HydrophobicContact CZ3-CD2 4.29Å; W15-F23 AromaticContact CZ3-CE2 3.6Å; W15-F23 HydrophobicContact CZ3-CE2 3.6Å; W15-C48 HydrophobicContact CB-CB 4.25Å; W15-C49 HydrophobicContact CD2-CB 3.95Å; W15-C49 HydrophobicContact CE3-CB 3.32Å; W15-C49 HydrophobicContact CH2-CB 3.72Å; W15-C49 HydrophobicContact CZ2-CB 4.31Å; W15-C49 HydrophobicContact CZ3-CB 3.16Å; W15-D53 HydrophobicContact CH2-CB 4.08Å; W15-D53 HydrophobicContact CZ2-CB 3.81Å; W15-L54 HydrophobicContact CH2-CD2 4.23Å; W15-L54 HydrophobicContact CZ3-CD2 4.28Å; W15-E57 HydrophobicContact CH2-CG 4.32Å; W15-E57 HydrophobicContact CZ2-CG 4.34Å
16Q93.6Very high88.3Confident104 Ų10440 Ų4049%0.48622%0.219SC..Hα-helixtrans-62.2-39.9178.2-66.3-57.2-30.100111.6S12 V14 K19 A20S12-Q16 WeakPolarHBondContact O-CB 3.44Å; S12-Q16 VanDerWaalsContact O-CG 3.27Å; S12-Q16 WeakPolarHBondContact O-CG 3.49Å; S12-Q16 PolarHBondContact O-N 3.09Å; V14-Q16 PolarHBondContact O-N 3.42Å; Q16-K19 PolarHBondContact O-N 3.38Å; Q16-A20 WeakPolarHBondContact O-CB 3.12Å; Q16-A20 PolarHBondContact O-N 2.83Å
17K92.9Very high90.3Very high24 Ų2440.5 Ų40.510%0.10421%0.205CC..Hα-helixtrans-65.4-45.2175.8-170.4173.3171.5-177.40111.3V13 V14 W15 A20 T21 I136 N137 I138 A186 T187V13-K17 WeakPolarHBondContact O-CB 3.38Å; V13-K17 PolarHBondContact O-N 2.93Å; V14-K17 PolarHBondContact O-N 2.95Å; W15-K17 VanDerWaalsContact C-N 3.31Å; W15-K17 PolarHBondContact O-N 3.4Å; K17-A20 PolarHBondContact O-N 3.25Å; K17-T21 HydrophobicContact CG-CG2 4.28Å; K17-T21 VanDerWaalsContact O-CB 3.3Å; K17-T21 WeakPolarHBondContact O-CB 3.35Å; K17-T21 VanDerWaalsContact O-CG2 3.29Å; K17-T21 WeakPolarHBondContact O-CG2 3.4Å; K17-T21 PolarHBondContact O-N 3.11Å; K17-T21 PolarHBondContact O-OG1 3.18Å; K17-I136 WeakPolarHBondContact CE-O 3.05Å; K17-N137 PolarHBondContact NZ-O 3.26Å; K17-I138 HydrophobicContact CB-CD1 4.1Å; K17-I138 HydrophobicContact CD-CD1 3.79Å; K17-I138 HydrophobicContact CD-CG1 4.1Å; K17-I138 HydrophobicContact CG-CD1 3.93Å; K17-A186 PolarHBondContact NZ-O 2.9Å; K17-T187 HydrophobicContact CD-CG2 3.88Å; K17-T187 PolarHBondContact NZ-OG1 2.69Å
18I95.4Very high91.9Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-61.2-47176-67.6172.7000110.1V14 W15 A20 T21 V22 F23 L44 L45 F80 I136 I138V14-I18 HydrophobicContact CG1-CD1 3.7Å; V14-I18 HydrophobicContact CG1-CG1 4.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.44Å; V14-I18 PolarHBondContact O-N 3.08Å; W15-I18 PolarHBondContact O-N 3.06Å; I18-A20 PolarHBondContact O-N 2.86Å; I18-T21 PolarHBondContact O-N 3.14Å; I18-V22 HydrophobicContact CG2-CB 4.25Å; I18-V22 HydrophobicContact CG2-CG2 4.23Å; I18-V22 WeakPolarHBondContact O-CA 3.48Å; I18-V22 WeakPolarHBondContact O-CB 3.39Å; I18-V22 PolarHBondContact O-N 3.45Å; I18-F23 HydrophobicContact CG2-CD2 4.14Å; I18-F23 HydrophobicContact CG2-CE2 3.63Å; I18-F23 HydrophobicContact CG2-CZ 4.31Å; I18-F23 PolarHBondContact O-N 2.93Å; I18-L44 HydrophobicContact CD1-CD2 4.23Å; I18-L44 HydrophobicContact CD1-CG 4.19Å; I18-L45 HydrophobicContact CD1-CD2 4.05Å; I18-L45 HydrophobicContact CG2-CD2 4.17Å; I18-F80 HydrophobicContact CD1-CE1 4.23Å; I18-F80 HydrophobicContact CD1-CZ 4.37Å; I18-F80 HydrophobicContact CG2-CE1 4.5Å; I18-I136 HydrophobicContact CG1-CD1 4.47Å; I18-I138 HydrophobicContact CG1-CD1 3.8Å
19K94.6Very high92.7Very high58 Ų5845.1 Ų45.125%0.25223%0.229SC..Iπ-helixtrans-55.6-53177.9178.8171171.3155.10112.6W15 Q16 T21 F23 D24 E57W15-K19 VanDerWaalsContact O-CB 3.3Å; W15-K19 WeakPolarHBondContact O-CB 3.25Å; W15-K19 PolarHBondContact O-N 3.44Å; Q16-K19 PolarHBondContact O-N 3.38Å; K19-T21 PolarHBondContact O-N 3.16Å; K19-F23 HydrophobicContact CB-CD2 4.48Å; K19-F23 PolarHBondContact O-N 3.32Å; K19-D24 PolarHBondContact O-N 3.21Å; K19-E57 WeakPolarHBondContact CE-OE1 3.44Å; K19-E57 IonicContact NZ-OE1 3.48Å; K19-E57 PolarHBondContact NZ-OE1 3.15Å
20A92.9Very high92.4Very high58 Ų5848.6 Ų48.648%0.47927%0.265SS..Iπ-helixtrans-67-38.2-17900000113.1Q16 K17 I18Q16-A20 WeakPolarHBondContact O-CB 3.12Å; Q16-A20 PolarHBondContact O-N 2.83Å; K17-A20 PolarHBondContact O-N 3.25Å; I18-A20 PolarHBondContact O-N 2.86Å
21T92Very high92.2Very high23 Ų2351.2 Ų51.214%0.14128%0.277CS..Iπ-helixtrans-91.5-27.1-171600000114.6K17 I18 K19 D25 Y109K17-T21 HydrophobicContact CG-CG2 4.28Å; K17-T21 VanDerWaalsContact O-CB 3.3Å; K17-T21 WeakPolarHBondContact O-CB 3.35Å; K17-T21 VanDerWaalsContact O-CG2 3.29Å; K17-T21 WeakPolarHBondContact O-CG2 3.4Å; K17-T21 PolarHBondContact O-N 3.11Å; K17-T21 PolarHBondContact O-OG1 3.18Å; I18-T21 PolarHBondContact O-N 3.14Å; K19-T21 PolarHBondContact O-N 3.16Å; T21-D25 WeakPolarHBondContact O-CB 3.38Å; T21-Y109 WeakPolarHBondContact O-CE1 3.31Å
22V94.7Very high92.2Very high0 Ų055.3 Ų55.30%029%0.292CS..Iπ-helixtrans-109.4-60.1-175.51800000110.8I18 C26 L78 Y109 I136I18-V22 HydrophobicContact CG2-CB 4.25Å; I18-V22 HydrophobicContact CG2-CG2 4.23Å; I18-V22 WeakPolarHBondContact O-CA 3.48Å; I18-V22 WeakPolarHBondContact O-CB 3.39Å; I18-V22 PolarHBondContact O-N 3.45Å; V22-C26 PolarHBondContact O-N 3.01Å; V22-C26 PolarHBondContact O-SG 3.27Å; V22-L78 HydrophobicContact CG1-CD1 3.96Å; V22-L78 HydrophobicContact CG1-CD2 3.91Å; V22-L78 HydrophobicContact CG1-CG 4.4Å; V22-Y109 HydrophobicContact CB-CD1 4.28Å; V22-Y109 HydrophobicContact CB-CE1 4.47Å; V22-Y109 HydrophobicContact CB-CG 4.34Å; V22-Y109 HydrophobicContact CG1-CD1 4.26Å; V22-Y109 HydrophobicContact CG1-CD2 3.73Å; V22-Y109 HydrophobicContact CG1-CE2 4.01Å; V22-Y109 HydrophobicContact CG1-CG 3.85Å; V22-Y109 HydrophobicContact CG2-CD1 3.92Å; V22-Y109 HydrophobicContact CG2-CG 4.05Å; V22-Y109 PolarHBondContact O-OH 2.79Å; V22-I136 HydrophobicContact CG2-CG2 3.69Å
23F93.4Very high92.3Very high1 Ų154.1 Ų54.10%0.00428%0.283CS..Iπ-helixtrans-74.1-57.1-170.9-63.9-55000111.7W15 I18 K19 D25 C26 K27 M35 L54 E57 I59 L78W15-F23 HydrophobicContact CH2-CD2 4.2Å; W15-F23 AromaticContact CH2-CE2 3.82Å; W15-F23 HydrophobicContact CH2-CE2 3.82Å; W15-F23 HydrophobicContact CZ3-CD2 4.29Å; W15-F23 AromaticContact CZ3-CE2 3.6Å; W15-F23 HydrophobicContact CZ3-CE2 3.6Å; I18-F23 HydrophobicContact CG2-CD2 4.14Å; I18-F23 HydrophobicContact CG2-CE2 3.63Å; I18-F23 HydrophobicContact CG2-CZ 4.31Å; I18-F23 PolarHBondContact O-N 2.93Å; K19-F23 HydrophobicContact CB-CD2 4.48Å; K19-F23 PolarHBondContact O-N 3.32Å; F23-D25 PolarHBondContact O-N 3.15Å; F23-C26 CarbonylContact O-C 3.59Å; F23-C26 PolarHBondContact O-N 2.84Å; F23-C26 VanDerWaalsContact O-N 3.13Å; F23-K27 WeakPolarHBondContact O-CB 3.37Å; F23-K27 PolarHBondContact O-N 2.92Å; F23-M35 HydrophobicContact CE1-CE 3.66Å; F23-M35 HydrophobicContact CE1-SD 3.97Å; F23-M35 HydrophobicContact CZ-CE 3.63Å; F23-M35 HydrophobicContact CZ-SD 4.08Å; F23-L54 HydrophobicContact CE1-CD2 4.22Å; F23-L54 HydrophobicContact CE2-CD2 4.01Å; F23-L54 HydrophobicContact CZ-CD2 3.48Å; F23-L54 VanDerWaalsContact CZ-CD2 3.48Å; F23-E57 HydrophobicContact CB-CB 4.01Å; F23-E57 HydrophobicContact CB-CG 4.28Å; F23-E57 HydrophobicContact CD1-CB 4.2Å; F23-E57 HydrophobicContact CD2-CB 4.25Å; F23-E57 HydrophobicContact CD2-CG 4.16Å; F23-E57 HydrophobicContact CG-CB 3.9Å; F23-E57 HydrophobicContact CG-CG 4.24Å; F23-I59 HydrophobicContact CD1-CD1 4.35Å; F23-I59 HydrophobicContact CD1-CG1 4.21Å; F23-I59 HydrophobicContact CE1-CD1 4.19Å; F23-I59 HydrophobicContact CE1-CG1 3.84Å; F23-L78 HydrophobicContact CD1-CD1 4.11Å; F23-L78 HydrophobicContact CE1-CD1 4.21Å
24D93Very high92.4Very high77 Ų7752.4 Ų52.441%0.41227%0.272SS..Hα-helixtrans-61-36.5-178.3-70.3-25.2000111.8K19 C26 K27K19-D24 PolarHBondContact O-N 3.21Å; D24-C26 VanDerWaalsContact C-N 3.29Å; D24-C26 PolarHBondContact O-N 3.09Å; D24-K27 PolarHBondContact O-N 3.5Å
25D92.7Very high92.5Very high49 Ų4952.4 Ų52.426%0.26227%0.272SS..Hα-helixtrans-60.1-37.2178.8-179.758.5000112.2T21 F23 Y109 R132T21-D25 WeakPolarHBondContact O-CB 3.38Å; F23-D25 PolarHBondContact O-N 3.15Å; D25-Y109 WeakPolarHBondContact OD2-CE1 3.5Å; D25-Y109 PolarHBondContact OD2-OH 3.38Å; D25-R132 VanDerWaalsContact O-CZ 3.31Å; D25-R132 PolarHBondContact O-NH1 3.26Å; D25-R132 PolarHBondContact O-NH2 3.24Å; D25-R132 VanDerWaalsContact O-NH2 3.1Å; D25-R132 IonicContact OD1-CZ 3.95Å; D25-R132 IonicContact OD1-NE 2.73Å; D25-R132 IonicContact OD1-NH1 2.94Å; D25-R132 PolarHBondContact OD1-NH1 3.04Å; D25-R132 IonicContact OD1-NH2 3.71Å; D25-R132 PolarHBondContact OD1-NH2 2.71Å; D25-R132 WeakPolarHBondContact OD2-CD 3.47Å; D25-R132 IonicContact OD2-CZ 2.67Å; D25-R132 IonicContact OD2-NE 3.89Å; D25-R132 PolarHBondContact OD2-NE 3.41Å; D25-R132 VanDerWaalsContact OD2-NE 3.14Å; D25-R132 IonicContact OD2-NH1 3.74Å; D25-R132 PolarHBondContact OD2-NH1 2.67Å; D25-R132 IonicContact OD2-NH2 3.97Å
26C91.6Very high92.6Very high8 Ų851 Ų515%0.05427%0.267CS..Hα-helixtrans-106.81.9178.2730000115V22 F23 D24 K33 L78 Y107 Y109V22-C26 PolarHBondContact O-N 3.01Å; V22-C26 PolarHBondContact O-SG 3.27Å; F23-C26 CarbonylContact O-C 3.59Å; F23-C26 PolarHBondContact O-N 2.84Å; F23-C26 VanDerWaalsContact O-N 3.13Å; D24-C26 VanDerWaalsContact C-N 3.29Å; D24-C26 PolarHBondContact O-N 3.09Å; C26-K33 WeakPolarHBondContact O-CE 3.49Å; C26-K33 PolarHBondContact O-NZ 2.67Å; C26-L78 VanDerWaalsContact SG-CD1 3.55Å; C26-Y107 HydrophobicContact CB-CD1 3.61Å; C26-Y107 HydrophobicContact CB-CE1 3.81Å; C26-Y107 HydrophobicContact CB-CG 4.05Å; C26-Y109 WeakPolarHBondContact CB-OH 3.19Å
27K88.4Confident92.8Very high96 Ų9646.3 Ų46.342%0.41725%0.245SC..  trans-65.5137.8-178.5-160.5167.1-169.4166.10110.4F23 D24 E56 E57F23-K27 WeakPolarHBondContact O-CB 3.37Å; F23-K27 PolarHBondContact O-N 2.92Å; D24-K27 PolarHBondContact O-N 3.5Å; K27-E56 PolarHBondContact NZ-O 3.43Å; K27-E57 IonicContact NZ-OE2 2.73Å; K27-E57 PolarHBondContact NZ-OE2 2.77Å
28K89.1Confident93Very high118 Ų11845.3 Ų45.351%0.51324%0.241SC..  trans-144125.6173.5-174.2171.4170.9-152.90108.2G30 E31K28-G30 PolarHBondContact O-N 3.07Å; K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 HydrophobicContact CD-CG 4.41Å; K28-E31 WeakPolarHBondContact CD-OE1 3.42Å; K28-E31 WeakPolarHBondContact CE-OE1 3.16Å; K28-E31 HydrophobicContact CG-CG 4.49Å; K28-E31 IonicContact NZ-OE1 2.69Å; K28-E31 PolarHBondContact NZ-OE1 2.75Å; K28-E31 PolarHBondContact O-N 3.38Å; K28-E31 VanDerWaalsContact O-N 3.13Å
29E86.1Confident92.9Very high191 Ų19150.9 Ų50.989%0.89327%0.267SS*.THydrogen-bonded Turntrans-56.9133.8-177.6-67.9-173.5168.700111.1E31E29-E31 VanDerWaalsContact C-N 3.27Å; E29-E31 PolarHBondContact O-N 3.31Å
30G84.5Confident92.9Very high81 Ų8149.4 Ų49.484%0.83526%0.26SS*.THydrogen-bonded Turntrans76.8-0.4-178.800000116K28K28-G30 PolarHBondContact O-N 3.07Å
31E89.6Confident93.1Very high57 Ų5746.6 Ų46.627%0.26624%0.238SC..  trans-112.8117.9177.8-70.6-173.6-167.600112.6K28 E29 K76K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 HydrophobicContact CD-CG 4.41Å; K28-E31 WeakPolarHBondContact CD-OE1 3.42Å; K28-E31 WeakPolarHBondContact CE-OE1 3.16Å; K28-E31 HydrophobicContact CG-CG 4.49Å; K28-E31 IonicContact NZ-OE1 2.69Å; K28-E31 PolarHBondContact NZ-OE1 2.75Å; K28-E31 PolarHBondContact O-N 3.38Å; K28-E31 VanDerWaalsContact O-N 3.13Å; E29-E31 VanDerWaalsContact C-N 3.27Å; E29-E31 PolarHBondContact O-N 3.31Å; E31-K76 IonicContact OE1-NZ 2.73Å; E31-K76 WeakPolarHBondContact OE2-CE 3.36Å; E31-K76 IonicContact OE2-NZ 3.39Å; E31-K76 PolarHBondContact OE2-NZ 2.83Å
32W93Very high93.3Very high119 Ų11948.4 Ų48.445%0.45125%0.248SC..  trans-88.2149.9171.9-63.498.3000112.1L55 G58 T60W32-L55 HydrophobicContact CE3-CD1 4.47Å; W32-L55 HydrophobicContact CH2-CD1 3.87Å; W32-L55 HydrophobicContact CH2-CG 4.17Å; W32-L55 VanDerWaalsContact CH2-O 3.3Å; W32-L55 WeakPolarHBondContact CH2-O 3.49Å; W32-L55 HydrophobicContact CZ3-CD1 3.6Å; W32-L55 HydrophobicContact CZ3-CG 4.18Å; W32-L55 WeakPolarHBondContact CZ3-O 3.16Å; W32-G58 VanDerWaalsContact CZ3-CA 3.48Å; W32-T60 HydrophobicContact CB-CG2 3.81Å; W32-T60 HydrophobicContact CD2-CG2 3.65Å; W32-T60 HydrophobicContact CE3-CG2 3.55Å; W32-T60 HydrophobicContact CG-CG2 3.77Å; W32-T60 HydrophobicContact CZ3-CG2 4.3Å
33K95.3Very high93.3Very high4 Ų452.1 Ų52.12%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-128.7157.9179.8-57.2-176.7-169.368.20111.8C26 G58 I59 T60 K76C26-K33 WeakPolarHBondContact O-CE 3.49Å; C26-K33 PolarHBondContact O-NZ 2.67Å; K33-G58 PolarHBondContact N-O 3.26Å; K33-I59 HydrophobicContact CB-CD1 4.19Å; K33-T60 PolarHBondContact O-N 3.04Å; K33-T60 VanDerWaalsContact O-N 3.07Å; K33-T60 PolarHBondContact O-OG1 3.14Å; K33-K76 WeakPolarHBondContact CA-O 3.49Å; K33-K76 HydrophobicContact CG-CB 4.42Å
34I96.5Very high93.5Very high4 Ų452 Ų522%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-95.8130.3169.9-56.5172.1000107.1L36 V61 E63 V72 M75 K76 A77 L78 Y103I34-L36 HydrophobicContact CB-CD1 4.3Å; I34-L36 HydrophobicContact CG2-CD1 3.85Å; I34-L36 WeakPolarHBondContact O-CD1 3.47Å; I34-V61 HydrophobicContact CG2-CB 4.3Å; I34-E63 HydrophobicContact CG2-CG 4.27Å; I34-V72 HydrophobicContact CD1-CB 3.6Å; I34-V72 HydrophobicContact CD1-CG1 3.91Å; I34-V72 HydrophobicContact CD1-CG2 3.78Å; I34-M75 HydrophobicContact CD1-CB 4.04Å; I34-M75 HydrophobicContact CD1-SD 4.08Å; I34-M75 HydrophobicContact CG1-CB 4.22Å; I34-M75 HydrophobicContact CG1-SD 3.89Å; I34-K76 PolarHBondContact N-O 3.1Å; I34-K76 VanDerWaalsContact N-O 3.08Å; I34-A77 CarbonylContact O-C 3.56Å; I34-A77 WeakPolarHBondContact O-CA 3.44Å; I34-L78 PolarHBondContact O-N 3.38Å; I34-Y103 HydrophobicContact CB-CE1 4.44Å; I34-Y103 HydrophobicContact CD1-CD1 4Å; I34-Y103 HydrophobicContact CD1-CE1 3.68Å; I34-Y103 HydrophobicContact CG2-CE1 4.38Å
35M97.3Very high93.5Very high0 Ų048.6 Ų48.60%025%0.246CC..EExtended strand (participates in β ladder)trans-101.6132.7177.4-174.2173.1-152.100110.3F23 L37 L45 L54 I59 V61 V62 E63 L78 F80F23-M35 HydrophobicContact CE1-CE 3.66Å; F23-M35 HydrophobicContact CE1-SD 3.97Å; F23-M35 HydrophobicContact CZ-CE 3.63Å; F23-M35 HydrophobicContact CZ-SD 4.08Å; M35-L37 HydrophobicContact CE-CD2 3.77Å; M35-L37 HydrophobicContact CG-CD2 3.86Å; M35-L37 HydrophobicContact CG-CG 4.24Å; M35-L37 HydrophobicContact SD-CD2 4.05Å; M35-L45 HydrophobicContact CE-CD1 3.46Å; M35-L45 VanDerWaalsContact CE-CD1 3.46Å; M35-L45 HydrophobicContact SD-CD1 3.74Å; M35-L54 HydrophobicContact SD-CD2 4.4Å; M35-I59 HydrophobicContact CB-CD1 4.3Å; M35-I59 HydrophobicContact CB-CG1 4.46Å; M35-I59 HydrophobicContact CB-CG2 3.48Å; M35-I59 VanDerWaalsContact CB-CG2 3.48Å; M35-I59 HydrophobicContact SD-CG1 4.45Å; M35-I59 HydrophobicContact SD-CG2 4.47Å; M35-V61 PolarHBondContact N-O 3.39Å; M35-V62 HydrophobicContact CB-CG2 4.32Å; M35-V62 CarbonylContact O-C 3.54Å; M35-V62 WeakPolarHBondContact O-CA 2.95Å; M35-E63 PolarHBondContact O-N 2.92Å; M35-L78 CarbonylContact C-O 3.52Å; M35-L78 WeakPolarHBondContact CA-O 3.32Å; M35-L78 HydrophobicContact CE-CD2 3.94Å; M35-L78 HydrophobicContact CG-CD2 4.31Å; M35-F80 HydrophobicContact CE-CB 3.75Å; M35-F80 HydrophobicContact CE-CD1 3.81Å; M35-F80 HydrophobicContact CE-CG 4.24Å
36L98.1Very high93.6Very high0 Ų049.8 Ų49.80%026%0.262CS..EExtended strand (participates in β ladder)trans-119.6123.6-177-68.475.9000108.6I34 E63 A77 L78 Y79 F80 Y103I34-L36 HydrophobicContact CB-CD1 4.3Å; I34-L36 HydrophobicContact CG2-CD1 3.85Å; I34-L36 WeakPolarHBondContact O-CD1 3.47Å; L36-E63 WeakPolarHBondContact CA-O 3.49Å; L36-A77 HydrophobicContact CD1-CB 3.69Å; L36-L78 PolarHBondContact N-O 3.45Å; L36-Y79 HydrophobicContact CB-CD1 3.96Å; L36-Y79 HydrophobicContact CB-CE1 4.23Å; L36-Y79 HydrophobicContact CB-CG 4.42Å; L36-Y79 HydrophobicContact CD2-CD1 3.77Å; L36-Y79 HydrophobicContact CD2-CE1 3.18Å; L36-Y79 HydrophobicContact CD2-CE2 4.18Å; L36-Y79 HydrophobicContact CD2-CG 4.48Å; L36-Y79 VanDerWaalsContact CD2-CZ 3.41Å; L36-Y79 HydrophobicContact CG-CD1 4.47Å; L36-Y79 HydrophobicContact CG-CE1 4.29Å; L36-F80 PolarHBondContact O-N 2.91Å; L36-Y103 HydrophobicContact CD1-CE2 4.45Å; L36-Y103 HydrophobicContact CD2-CE2 3.72Å
37L98Very high93.6Very high4 Ų450.2 Ų50.22%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-121.9146.5-174.5-55.6178.8000110.4M35 T42 L45 V62 E63 N64 I65 F80M35-L37 HydrophobicContact CE-CD2 3.77Å; M35-L37 HydrophobicContact CG-CD2 3.86Å; M35-L37 HydrophobicContact CG-CG 4.24Å; M35-L37 HydrophobicContact SD-CD2 4.05Å; L37-T42 WeakPolarHBondContact CB-OG1 3.37Å; L37-L45 HydrophobicContact CD1-CD1 3.7Å; L37-L45 HydrophobicContact CD2-CD1 3.67Å; L37-L45 HydrophobicContact CG-CD1 4.34Å; L37-V62 HydrophobicContact CD1-CG1 3.43Å; L37-V62 VanDerWaalsContact CD1-CG1 3.43Å; L37-V62 HydrophobicContact CG-CG1 3.98Å; L37-E63 PolarHBondContact N-O 2.87Å; L37-N64 WeakPolarHBondContact O-CA 3.49Å; L37-I65 WeakPolarHBondContact O-CG2 3.47Å; L37-I65 PolarHBondContact O-N 3.35Å; L37-F80 HydrophobicContact CD2-CB 3.91Å; L37-F80 HydrophobicContact CD2-CD1 4.11Å; L37-F80 HydrophobicContact CD2-CG 4.43Å
38D96.4Very high93.8Very high3 Ų346.4 Ų46.42%0.01625%0.251CS..  trans-90.7-176.4161.970.48000111.1F40 T41 T42 I65 Y66 I81 T82 S87D38-F40 PolarHBondContact O-N 2.91Å; D38-F40 PolarHBondContact OD1-N 3.15Å; D38-T41 PolarHBondContact N-OG1 3.2Å; D38-T41 PolarHBondContact O-OG1 3.49Å; D38-T41 WeakPolarHBondContact OD1-CB 3.27Å; D38-T41 WeakPolarHBondContact OD1-CG2 3.39Å; D38-T41 PolarHBondContact OD1-N 3.09Å; D38-T41 PolarHBondContact OD1-OG1 3.24Å; D38-T42 VanDerWaalsContact O-CB 3.27Å; D38-T42 WeakPolarHBondContact O-CB 3.32Å; D38-T42 PolarHBondContact O-N 2.94Å; D38-T42 PolarHBondContact O-OG1 3.04Å; D38-I65 HydrophobicContact CB-CG2 3.93Å; D38-Y66 HydrophobicContact CB-CE2 3.99Å; D38-I81 HydrophobicContact CB-CG2 4.38Å; D38-T82 WeakPolarHBondContact OD2-CA 3.29Å; D38-T82 WeakPolarHBondContact OD2-CB 3.46Å; D38-T82 PolarHBondContact OD2-N 2.92Å; D38-T82 PolarHBondContact OD2-OG1 3.15Å; D38-S87 PolarHBondContact OD2-OG 3.48Å
39E94.4Very high93.9Very high118 Ų11841.4 Ų41.455%0.55123%0.231SC*.Hα-helixtrans-60-47.6-177.9-173.6-177157.700112.6T42 K43 Y66E39-T42 PolarHBondContact O-N 3.37Å; E39-K43 PolarHBondContact O-N 3.11Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 IonicContact OE1-NZ 2.83Å; E39-K43 PolarHBondContact OE1-NZ 2.95Å; E39-Y66 HydrophobicContact CB-CE2 4.41Å
40F95Very high94Very high26 Ų2636.2 Ų36.211%0.11421%0.205CC..Hα-helixtrans-65.9-48.9-177.9171.3-94000111.5D38 T42 K43 L44 T111 S139 I141D38-F40 PolarHBondContact O-N 2.91Å; D38-F40 PolarHBondContact OD1-N 3.15Å; F40-T42 VanDerWaalsContact C-N 3.27Å; F40-T42 PolarHBondContact O-N 2.9Å; F40-K43 PolarHBondContact O-N 3.37Å; F40-K43 VanDerWaalsContact O-N 3.12Å; F40-L44 HydrophobicContact CE1-CB 4.44Å; F40-L44 HydrophobicContact CE1-CD2 3.98Å; F40-L44 HydrophobicContact CZ-CD2 4.43Å; F40-L44 WeakPolarHBondContact O-CB 3.27Å; F40-L44 PolarHBondContact O-N 2.95Å; F40-T111 HydrophobicContact CD1-CG2 3.87Å; F40-T111 HydrophobicContact CE1-CG2 3.78Å; F40-S139 VanDerWaalsContact CZ-C 3.48Å; F40-I141 HydrophobicContact CD2-CD1 4.01Å; F40-I141 HydrophobicContact CE2-CD1 3.54Å; F40-I141 HydrophobicContact CE2-CG1 4.09Å; F40-I141 HydrophobicContact CZ-CD1 3.97Å
41T96.4Very high94.2Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-66.4-29.3179.152.10000112.8D38 L44 L45 F80 T111D38-T41 PolarHBondContact N-OG1 3.2Å; D38-T41 PolarHBondContact O-OG1 3.49Å; D38-T41 WeakPolarHBondContact OD1-CB 3.27Å; D38-T41 WeakPolarHBondContact OD1-CG2 3.39Å; D38-T41 PolarHBondContact OD1-N 3.09Å; D38-T41 PolarHBondContact OD1-OG1 3.24Å; T41-L44 PolarHBondContact O-N 3.2Å; T41-L45 WeakPolarHBondContact O-CG 3.45Å; T41-L45 PolarHBondContact O-N 3.04Å; T41-F80 WeakPolarHBondContact CB-O 3.4Å; T41-F80 HydrophobicContact CG2-CD1 4.2Å; T41-F80 HydrophobicContact CG2-CD2 4.07Å; T41-F80 HydrophobicContact CG2-CE1 4.25Å; T41-F80 HydrophobicContact CG2-CE2 4.09Å; T41-F80 HydrophobicContact CG2-CG 4.12Å; T41-F80 HydrophobicContact CG2-CZ 4.19Å; T41-F80 WeakPolarHBondContact CG2-O 3.45Å; T41-F80 PolarHBondContact OG1-O 3.22Å; T41-T111 HydrophobicContact CG2-CG2 3.26Å
42T96.2Very high94.3Very high60 Ų6039.4 Ų39.437%0.36821%0.205SC..Hα-helixtrans-61.7-50169.3-57.60000110.4L37 D38 E39 F40 L44 A46L37-T42 WeakPolarHBondContact CB-OG1 3.37Å; D38-T42 VanDerWaalsContact O-CB 3.27Å; D38-T42 WeakPolarHBondContact O-CB 3.32Å; D38-T42 PolarHBondContact O-N 2.94Å; D38-T42 PolarHBondContact O-OG1 3.04Å; E39-T42 PolarHBondContact O-N 3.37Å; F40-T42 VanDerWaalsContact C-N 3.27Å; F40-T42 PolarHBondContact O-N 2.9Å; T42-L44 PolarHBondContact O-N 3.42Å; T42-A46 VanDerWaalsContact O-CB 3.23Å; T42-A46 WeakPolarHBondContact O-CB 3.43Å; T42-A46 PolarHBondContact O-N 3.08Å
43K95.1Very high94.3Very high78 Ų7835.9 Ų35.934%0.33920%0.195SC..Hα-helixtrans-62.7-41.8177-67.2177.1-170.6171.20111.7E39 F40 A46 S47 I141 D151E39-K43 PolarHBondContact O-N 3.11Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 IonicContact OE1-NZ 2.83Å; E39-K43 PolarHBondContact OE1-NZ 2.95Å; F40-K43 PolarHBondContact O-N 3.37Å; F40-K43 VanDerWaalsContact O-N 3.12Å; K43-A46 PolarHBondContact O-N 3.15Å; K43-S47 VanDerWaalsContact O-CB 3.28Å; K43-S47 WeakPolarHBondContact O-CB 3.35Å; K43-S47 PolarHBondContact O-N 3.11Å; K43-I141 HydrophobicContact CB-CD1 4.03Å; K43-D151 VanDerWaalsContact CD-OD2 3.26Å; K43-D151 WeakPolarHBondContact CD-OD2 3.48Å; K43-D151 IonicContact NZ-OD1 3.78Å; K43-D151 PolarHBondContact NZ-OD1 3.09Å; K43-D151 IonicContact NZ-OD2 3.87Å; K43-D151 PolarHBondContact NZ-OD2 2.88Å
44L96.2Very high94.2Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-60-49.5179.3176.656.7000111.8V14 I18 F40 T41 T42 S47 C48 F80 I138 F140 I141 P142V14-L44 HydrophobicContact CG1-CD1 3.85Å; I18-L44 HydrophobicContact CD1-CD2 4.23Å; I18-L44 HydrophobicContact CD1-CG 4.19Å; F40-L44 HydrophobicContact CE1-CB 4.44Å; F40-L44 HydrophobicContact CE1-CD2 3.98Å; F40-L44 HydrophobicContact CZ-CD2 4.43Å; F40-L44 WeakPolarHBondContact O-CB 3.27Å; F40-L44 PolarHBondContact O-N 2.95Å; T41-L44 PolarHBondContact O-N 3.2Å; T42-L44 PolarHBondContact O-N 3.42Å; L44-S47 WeakPolarHBondContact O-CB 3.4Å; L44-S47 PolarHBondContact O-N 2.58Å; L44-C48 PolarHBondContact O-SG 3.16Å; L44-F80 HydrophobicContact CD2-CE1 4.15Å; L44-F80 HydrophobicContact CD2-CZ 3.76Å; L44-I138 HydrophobicContact CD1-CG2 4.22Å; L44-I138 HydrophobicContact CD2-CG2 4.03Å; L44-F140 WeakPolarHBondContact CD1-O 3.36Å; L44-I141 HydrophobicContact CB-CD1 3.89Å; L44-I141 HydrophobicContact CD1-CD1 4.45Å; L44-P142 HydrophobicContact CD1-CG 4.46Å
45L94.9Very high94Very high5 Ų540 Ų403%0.02622%0.217CC..Hα-helixtrans-69-44.1178.2-72.4-176.7000111.9I18 M35 L37 T41 S47 C48 C49 F80I18-L45 HydrophobicContact CD1-CD2 4.05Å; I18-L45 HydrophobicContact CG2-CD2 4.17Å; M35-L45 HydrophobicContact CE-CD1 3.46Å; M35-L45 VanDerWaalsContact CE-CD1 3.46Å; M35-L45 HydrophobicContact SD-CD1 3.74Å; L37-L45 HydrophobicContact CD1-CD1 3.7Å; L37-L45 HydrophobicContact CD2-CD1 3.67Å; L37-L45 HydrophobicContact CG-CD1 4.34Å; T41-L45 WeakPolarHBondContact O-CG 3.45Å; T41-L45 PolarHBondContact O-N 3.04Å; L45-S47 PolarHBondContact O-N 2.95Å; L45-S47 VanDerWaalsContact O-N 3.11Å; L45-C48 PolarHBondContact O-N 3.33Å; L45-C48 VanDerWaalsContact O-N 3.12Å; L45-C49 PolarHBondContact O-N 2.66Å; L45-C49 PolarHBondContact O-SG 2.94Å; L45-F80 HydrophobicContact CD1-CD1 4.1Å; L45-F80 HydrophobicContact CD1-CE1 4.48Å; L45-F80 HydrophobicContact CD2-CD1 4.34Å; L45-F80 HydrophobicContact CD2-CE1 4Å; L45-F80 HydrophobicContact CG-CD1 4.21Å; L45-F80 HydrophobicContact CG-CE1 4.1Å
46A93Very high93.7Very high73 Ų7346.8 Ų46.860%0.60325%0.249SC*.Hα-helixtrans-58.4-26.8176.900000112.6T42 K43T42-A46 VanDerWaalsContact O-CB 3.23Å; T42-A46 WeakPolarHBondContact O-CB 3.43Å; T42-A46 PolarHBondContact O-N 3.08Å; K43-A46 PolarHBondContact O-N 3.15Å
47S93.4Very high93.4Very high18 Ų1847.2 Ų47.213%0.12625%0.251CS..Hα-helixtrans-74.8-32178.9-178.30000114K11 K43 L44 L45 P142K11-S47 VanDerWaalsContact CD-O 3.26Å; K11-S47 WeakPolarHBondContact CD-O 3.44Å; K11-S47 VanDerWaalsContact CE-O 3.25Å; K11-S47 WeakPolarHBondContact CE-O 3.21Å; K11-S47 PolarHBondContact NZ-O 3.2Å; K43-S47 VanDerWaalsContact O-CB 3.28Å; K43-S47 WeakPolarHBondContact O-CB 3.35Å; K43-S47 PolarHBondContact O-N 3.11Å; L44-S47 WeakPolarHBondContact O-CB 3.4Å; L44-S47 PolarHBondContact O-N 2.58Å; L45-S47 PolarHBondContact O-N 2.95Å; L45-S47 VanDerWaalsContact O-N 3.11Å; S47-P142 PolarHBondContact OG-O 2.89Å
48C92.5Very high93.1Very high16 Ų1647.6 Ų47.611%0.10826%0.256CS..Hα-helixtrans-125.1-3.4-169.465.80000115.8K11 W15 L44 L45 P142K11-C48 HydrophobicContact CB-CB 4.31Å; K11-C48 WeakPolarHBondContact O-CB 3.32Å; W15-C48 HydrophobicContact CB-CB 4.25Å; L44-C48 PolarHBondContact O-SG 3.16Å; L45-C48 PolarHBondContact O-N 3.33Å; L45-C48 VanDerWaalsContact O-N 3.12Å; C48-P142 HydrophobicContact CB-CG 4.17Å
49C90Very high93.1Very high13 Ų1347.8 Ų47.89%0.08826%0.257CS..  trans-149.1155.9179.577.30000113.5W15 L45W15-C49 HydrophobicContact CD2-CB 3.95Å; W15-C49 HydrophobicContact CE3-CB 3.32Å; W15-C49 HydrophobicContact CH2-CB 3.72Å; W15-C49 HydrophobicContact CZ2-CB 4.31Å; W15-C49 HydrophobicContact CZ3-CB 3.16Å; L45-C49 PolarHBondContact O-N 2.66Å; L45-C49 PolarHBondContact O-SG 2.94Å
50K89.1Confident93Very high81 Ų8144.8 Ų44.835%0.35225%0.247SC..  trans-100.5161.3175-63179.8-177.4-179.60111.6T52 D53 L54 E285K50-T52 WeakPolarHBondContact CB-OG1 3.49Å; K50-T52 PolarHBondContact O-N 2.93Å; K50-D53 WeakPolarHBondContact CB-OD2 3.41Å; K50-D53 PolarHBondContact N-OD2 3.29Å; K50-D53 WeakPolarHBondContact O-CB 3.36Å; K50-D53 PolarHBondContact O-N 3.06Å; K50-L54 PolarHBondContact O-N 3.28Å; K50-L54 VanDerWaalsContact O-N 3.12Å; K50-E285 WeakPolarHBondContact CE-OE1 3.47Å; K50-E285 IonicContact NZ-OE1 3.83Å
51M88.8Confident93Very high122 Ų12246.6 Ų46.660%0.60126%0.26SS*.Hα-helixtrans-57.5-30.8171.5-69.7-56.5-54.200113D53 L54 L55 V62M51-D53 VanDerWaalsContact C-N 3.34Å; M51-L54 HydrophobicContact CE-CD1 4.49Å; M51-L54 HydrophobicContact SD-CD1 4.01Å; M51-L55 PolarHBondContact O-N 3.2Å; M51-V62 HydrophobicContact CE-CB 4.44Å; M51-V62 HydrophobicContact CE-CG2 3.84Å; M51-V62 HydrophobicContact SD-CG2 4.29Å
52T91.1Very high93Very high83 Ų8349 Ų4951%0.50927%0.274SS..Hα-helixtrans-64.2-40.9173.847.70000111.8K50 L55 E56K50-T52 WeakPolarHBondContact CB-OG1 3.49Å; K50-T52 PolarHBondContact O-N 2.93Å; T52-L55 WeakPolarHBondContact O-CB 3.44Å; T52-L55 PolarHBondContact O-N 3.39Å; T52-E56 PolarHBondContact O-N 3.12Å; T52-E56 VanDerWaalsContact O-N 3.14Å
53D92.3Very high93Very high45 Ų4548.5 Ų48.524%0.24127%0.268CS..Hα-helixtrans-70-39.9-177.1-46.4-21.3000109.6W15 K50 M51 L55 E56 E57W15-D53 HydrophobicContact CH2-CB 4.08Å; W15-D53 HydrophobicContact CZ2-CB 3.81Å; K50-D53 WeakPolarHBondContact CB-OD2 3.41Å; K50-D53 PolarHBondContact N-OD2 3.29Å; K50-D53 WeakPolarHBondContact O-CB 3.36Å; K50-D53 PolarHBondContact O-N 3.06Å; M51-D53 VanDerWaalsContact C-N 3.34Å; D53-L55 VanDerWaalsContact C-N 3.3Å; D53-L55 PolarHBondContact O-N 3.45Å; D53-E56 PolarHBondContact O-N 2.92Å; D53-E57 WeakPolarHBondContact O-CG 3.45Å; D53-E57 PolarHBondContact O-N 3.26Å; D53-E57 VanDerWaalsContact O-N 3.14Å
54L93.2Very high93.1Very high6 Ų647.3 Ų47.33%0.03127%0.265CS..Hα-helixtrans-61.1-37.3173.7-64.2180000112.7W15 F23 M35 K50 M51 E57 G58 I59 V62W15-L54 HydrophobicContact CH2-CD2 4.23Å; W15-L54 HydrophobicContact CZ3-CD2 4.28Å; F23-L54 HydrophobicContact CE1-CD2 4.22Å; F23-L54 HydrophobicContact CE2-CD2 4.01Å; F23-L54 HydrophobicContact CZ-CD2 3.48Å; F23-L54 VanDerWaalsContact CZ-CD2 3.48Å; M35-L54 HydrophobicContact SD-CD2 4.4Å; K50-L54 PolarHBondContact O-N 3.28Å; K50-L54 VanDerWaalsContact O-N 3.12Å; M51-L54 HydrophobicContact CE-CD1 4.49Å; M51-L54 HydrophobicContact SD-CD1 4.01Å; L54-E57 CarbonylContact O-C 3.49Å; L54-E57 PolarHBondContact O-N 3.36Å; L54-G58 PolarHBondContact O-N 3.47Å; L54-I59 HydrophobicContact CB-CB 4.25Å; L54-I59 WeakPolarHBondContact O-CB 3.48Å; L54-I59 PolarHBondContact O-N 3.4Å; L54-V62 HydrophobicContact CD1-CG2 3.86Å
55L92.3Very high93.2Very high90 Ų9047.3 Ų47.347%0.47127%0.265SS..Hα-helixtrans-66.1-39.5176.2-171.270.5000111.3W32 M51 T52 D53 E57 G58 I59W32-L55 HydrophobicContact CE3-CD1 4.47Å; W32-L55 HydrophobicContact CH2-CD1 3.87Å; W32-L55 HydrophobicContact CH2-CG 4.17Å; W32-L55 VanDerWaalsContact CH2-O 3.3Å; W32-L55 WeakPolarHBondContact CH2-O 3.49Å; W32-L55 HydrophobicContact CZ3-CD1 3.6Å; W32-L55 HydrophobicContact CZ3-CG 4.18Å; W32-L55 WeakPolarHBondContact CZ3-O 3.16Å; M51-L55 PolarHBondContact O-N 3.2Å; T52-L55 WeakPolarHBondContact O-CB 3.44Å; T52-L55 PolarHBondContact O-N 3.39Å; D53-L55 VanDerWaalsContact C-N 3.3Å; D53-L55 PolarHBondContact O-N 3.45Å; L55-E57 PolarHBondContact O-N 3.36Å; L55-G58 PolarHBondContact O-N 3.07Å; L55-G58 VanDerWaalsContact O-N 3.13Å; L55-I59 WeakPolarHBondContact CA-O 3.32Å
56E91.3Very high93.2Very high141 Ų14150.3 Ų50.366%0.65928%0.277SS*.Hα-helixtrans-65.1-25.3174.2-67.5178.9-176.200112.7K27 T52 D53 G58K27-E56 PolarHBondContact NZ-O 3.43Å; T52-E56 PolarHBondContact O-N 3.12Å; T52-E56 VanDerWaalsContact O-N 3.14Å; D53-E56 PolarHBondContact O-N 2.92Å; E56-G58 VanDerWaalsContact C-N 3.33Å
57E92.4Very high93.3Very high9 Ų953.8 Ų53.84%0.04228%0.278CS..THydrogen-bonded Turntrans-88.28.1174.9-59-46.9153.900115W15 K19 F23 K27 D53 L54 L55W15-E57 HydrophobicContact CH2-CG 4.32Å; W15-E57 HydrophobicContact CZ2-CG 4.34Å; K19-E57 WeakPolarHBondContact CE-OE1 3.44Å; K19-E57 IonicContact NZ-OE1 3.48Å; K19-E57 PolarHBondContact NZ-OE1 3.15Å; F23-E57 HydrophobicContact CB-CB 4.01Å; F23-E57 HydrophobicContact CB-CG 4.28Å; F23-E57 HydrophobicContact CD1-CB 4.2Å; F23-E57 HydrophobicContact CD2-CB 4.25Å; F23-E57 HydrophobicContact CD2-CG 4.16Å; F23-E57 HydrophobicContact CG-CB 3.9Å; F23-E57 HydrophobicContact CG-CG 4.24Å; K27-E57 IonicContact NZ-OE2 2.73Å; K27-E57 PolarHBondContact NZ-OE2 2.77Å; D53-E57 WeakPolarHBondContact O-CG 3.45Å; D53-E57 PolarHBondContact O-N 3.26Å; D53-E57 VanDerWaalsContact O-N 3.14Å; L54-E57 CarbonylContact O-C 3.49Å; L54-E57 PolarHBondContact O-N 3.36Å; L55-E57 PolarHBondContact O-N 3.36Å
58G92.2Very high93.2Very high12 Ų1260.1 Ų60.112%0.12431%0.311CS..THydrogen-bonded Turntrans85.819.6173.400000114.3W32 K33 L54 L55 E56W32-G58 VanDerWaalsContact CZ3-CA 3.48Å; K33-G58 PolarHBondContact N-O 3.26Å; L54-G58 PolarHBondContact O-N 3.47Å; L55-G58 PolarHBondContact O-N 3.07Å; L55-G58 VanDerWaalsContact O-N 3.13Å; E56-G58 VanDerWaalsContact C-N 3.33Å
59I95.4Very high93.3Very high7 Ų760.3 Ų60.34%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-100.2118.6174.1-53.5-53.9000109.8F23 K33 M35 L54 L55 V62 L78F23-I59 HydrophobicContact CD1-CD1 4.35Å; F23-I59 HydrophobicContact CD1-CG1 4.21Å; F23-I59 HydrophobicContact CE1-CD1 4.19Å; F23-I59 HydrophobicContact CE1-CG1 3.84Å; K33-I59 HydrophobicContact CB-CD1 4.19Å; M35-I59 HydrophobicContact CB-CD1 4.3Å; M35-I59 HydrophobicContact CB-CG1 4.46Å; M35-I59 HydrophobicContact CB-CG2 3.48Å; M35-I59 VanDerWaalsContact CB-CG2 3.48Å; M35-I59 HydrophobicContact SD-CG1 4.45Å; M35-I59 HydrophobicContact SD-CG2 4.47Å; L54-I59 HydrophobicContact CB-CB 4.25Å; L54-I59 WeakPolarHBondContact O-CB 3.48Å; L54-I59 PolarHBondContact O-N 3.4Å; L55-I59 WeakPolarHBondContact CA-O 3.32Å; I59-V62 HydrophobicContact CG2-CG2 4.08Å; I59-L78 HydrophobicContact CD1-CD1 4.09Å
60T93.2Very high93.3Very high56 Ų5667.3 Ų67.334%0.34434%0.34SS..EExtended strand (participates in β ladder)trans-90.4-35.2178.628.80000113.7W32 K33W32-T60 HydrophobicContact CB-CG2 3.81Å; W32-T60 HydrophobicContact CD2-CG2 3.65Å; W32-T60 HydrophobicContact CE3-CG2 3.55Å; W32-T60 HydrophobicContact CG-CG2 3.77Å; W32-T60 HydrophobicContact CZ3-CG2 4.3Å; K33-T60 PolarHBondContact O-N 3.04Å; K33-T60 VanDerWaalsContact O-N 3.07Å; K33-T60 PolarHBondContact O-OG1 3.14Å
61V94.9Very high93.5Very high64 Ų6467.1 Ų67.139%0.38835%0.347SS..EExtended strand (participates in β ladder)trans-139.8135.8-172.3-175.80000108.5I34 M35 E63I34-V61 HydrophobicContact CG2-CB 4.3Å; M35-V61 PolarHBondContact N-O 3.39Å; V61-E63 HydrophobicContact CG1-CG 3.79Å
62V96.2Very high93.7Very high49 Ų4962.9 Ų62.930%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-112.7125.5172.7179.60000108.1M35 L37 M51 L54 I59M35-V62 HydrophobicContact CB-CG2 4.32Å; M35-V62 CarbonylContact O-C 3.54Å; M35-V62 WeakPolarHBondContact O-CA 2.95Å; L37-V62 HydrophobicContact CD1-CG1 3.43Å; L37-V62 VanDerWaalsContact CD1-CG1 3.43Å; L37-V62 HydrophobicContact CG-CG1 3.98Å; M51-V62 HydrophobicContact CE-CB 4.44Å; M51-V62 HydrophobicContact CE-CG2 3.84Å; M51-V62 HydrophobicContact SD-CG2 4.29Å; L54-V62 HydrophobicContact CD1-CG2 3.86Å; I59-V62 HydrophobicContact CG2-CG2 4.08Å
63E96.4Very high93.8Very high51 Ų5165.5 Ų65.524%0.23833%0.329CS..EExtended strand (participates in β ladder)trans-126.9153-179.4-60-166.515100112I34 M35 L36 L37 V61 R69 Y103I34-E63 HydrophobicContact CG2-CG 4.27Å; M35-E63 PolarHBondContact O-N 2.92Å; L36-E63 WeakPolarHBondContact CA-O 3.49Å; L37-E63 PolarHBondContact N-O 2.87Å; V61-E63 HydrophobicContact CG1-CG 3.79Å; E63-R69 HydrophobicContact CB-CG 4.35Å; E63-R69 WeakPolarHBondContact OE2-CB 3.34Å; E63-R69 WeakPolarHBondContact OE2-CD 3.42Å; E63-R69 WeakPolarHBondContact OE2-CG 3.43Å; E63-Y103 PolarHBondContact OE2-OH 2.94Å
64N96.8Very high93.7Very high52 Ų5270.4 Ų70.428%0.27835%0.35SS..EExtended strand (participates in β ladder)trans-84.9123.1174.2-174.9-50.1000110.1L37 Y66 K67 R69L37-N64 WeakPolarHBondContact O-CA 3.49Å; N64-Y66 PolarHBondContact O-N 3.16Å; N64-Y66 VanDerWaalsContact OD1-CB 3.29Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.42Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.41Å; N64-Y66 PolarHBondContact OD1-N 3.27Å; N64-K67 HydrophobicContact CB-CD 4.31Å; N64-K67 HydrophobicContact CB-CG 4.2Å; N64-K67 PolarHBondContact O-N 3.18Å; N64-K67 VanDerWaalsContact O-N 3.16Å; N64-R69 WeakPolarHBondContact O-CD 3.31Å; N64-R69 PolarHBondContact O-NE 3.14Å
65I97.2Very high93.8Very high1 Ų173 Ų731%0.00536%0.363CS..THydrogen-bonded Turntrans-60.6-30-177.3-166.9173.4000113.5L37 D38 K67 R69 Y79 I81 S87 C90 F91L37-I65 WeakPolarHBondContact O-CG2 3.47Å; L37-I65 PolarHBondContact O-N 3.35Å; D38-I65 HydrophobicContact CB-CG2 3.93Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-R69 PolarHBondContact O-NE 3.17Å; I65-R69 PolarHBondContact O-NH2 2.9Å; I65-Y79 HydrophobicContact CD1-CD1 3.88Å; I65-Y79 HydrophobicContact CD1-CE1 4.09Å; I65-I81 HydrophobicContact CD1-CD1 4.31Å; I65-I81 HydrophobicContact CD1-CG2 3.86Å; I65-I81 HydrophobicContact CG2-CG2 4.49Å; I65-S87 WeakPolarHBondContact CD1-O 3.2Å; I65-C90 HydrophobicContact CD1-CB 4.1Å; I65-C90 HydrophobicContact CG1-CB 3.76Å; I65-F91 HydrophobicContact CD1-CB 4.29Å
66Y96Very high93.9Very high68 Ų6870.2 Ų70.227%0.26735%0.347SS..THydrogen-bonded Turntrans-78.1-17.9-178.6-55.1-49.6000113.6D38 E39 N64 K86 S87D38-Y66 HydrophobicContact CB-CE2 3.99Å; E39-Y66 HydrophobicContact CB-CE2 4.41Å; N64-Y66 PolarHBondContact O-N 3.16Å; N64-Y66 VanDerWaalsContact OD1-CB 3.29Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.42Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.41Å; N64-Y66 PolarHBondContact OD1-N 3.27Å; Y66-K86 HydrophobicContact CD1-CD 3.94Å; Y66-K86 HydrophobicContact CD1-CG 3.96Å; Y66-K86 HydrophobicContact CE1-CB 4.11Å; Y66-K86 HydrophobicContact CE1-CD 3.51Å; Y66-K86 HydrophobicContact CE1-CG 3.51Å; Y66-S87 PolarHBondContact OH-OG 2.76Å
67K95.1Very high94.2Very high145 Ų14563.5 Ų63.563%0.6332%0.316SS*.SBendtrans-83.9150.6176.3-67.4-172.8178.7-179.10110.1N64 I65 R69N64-K67 HydrophobicContact CB-CD 4.31Å; N64-K67 HydrophobicContact CB-CG 4.2Å; N64-K67 PolarHBondContact O-N 3.18Å; N64-K67 VanDerWaalsContact O-N 3.16Å; I65-K67 VanDerWaalsContact C-N 3.34Å; K67-R69 WeakPolarHBondContact O-CG 3.37Å; K67-R69 PolarHBondContact O-NE 3.36Å
68N90.9Very high94.4Very high152 Ų15263.1 Ų63.181%0.81331%0.314SS*.  trans-68.9139.3167.8-163.618000109.2K102N68-K102 PolarHBondContact OD1-NZ 3.12Å; N68-K102 VanDerWaalsContact OD1-NZ 3.1Å
69R93.6Very high94.7Very high20 Ų2062.5 Ų62.58%0.07531%0.308CS..  trans-136.6144-165.6-72162.3-77.7128.57.1109.7E63 N64 I65 K67 D94 K102 Y103E63-R69 HydrophobicContact CB-CG 4.35Å; E63-R69 WeakPolarHBondContact OE2-CB 3.34Å; E63-R69 WeakPolarHBondContact OE2-CD 3.42Å; E63-R69 WeakPolarHBondContact OE2-CG 3.43Å; N64-R69 WeakPolarHBondContact O-CD 3.31Å; N64-R69 PolarHBondContact O-NE 3.14Å; I65-R69 PolarHBondContact O-NE 3.17Å; I65-R69 PolarHBondContact O-NH2 2.9Å; K67-R69 WeakPolarHBondContact O-CG 3.37Å; K67-R69 PolarHBondContact O-NE 3.36Å; R69-D94 IonicContact CZ-OD1 3.9Å; R69-D94 IonicContact CZ-OD2 3.56Å; R69-D94 IonicContact NH1-OD1 3.49Å; R69-D94 IonicContact NH1-OD2 2.71Å; R69-D94 PolarHBondContact NH1-OD2 2.85Å; R69-D94 IonicContact NH2-OD1 2.91Å; R69-D94 PolarHBondContact NH2-OD1 2.71Å; R69-D94 IonicContact NH2-OD2 2.55Å; R69-D94 PolarHBondContact NH2-OD2 3.4Å; R69-D94 VanDerWaalsContact NH2-OD2 3.11Å; R69-K102 PolarHBondContact O-NZ 3.47Å; R69-Y103 PolarHBondContact NH1-OH 3.13Å
70E91.3Very high94.8Very high160 Ų16062.2 Ų62.275%0.74831%0.306SS*.  trans-72.3137.4-179.3-65.9-171.3171.800111.3V72E70-V72 PolarHBondContact O-N 3.5Å
71P92.8Very high95.1Very high77 Ų7759.6 Ų59.650%0.529%0.29SS..  trans-65.9118.3176.8-2435.4000113K102P71-K102 CarbonylContact C-O 3.56Å
72V94.1Very high95.1Very high33 Ų3357.6 Ų57.620%0.228%0.278CS..BIsolated β-bridgetrans-113.575.8173.5-167.50000110.9I34 E70 Q74 M75 K102 Y103I34-V72 HydrophobicContact CD1-CB 3.6Å; I34-V72 HydrophobicContact CD1-CG1 3.91Å; I34-V72 HydrophobicContact CD1-CG2 3.78Å; E70-V72 PolarHBondContact O-N 3.5Å; V72-Q74 VanDerWaalsContact C-N 3.26Å; V72-Q74 HydrophobicContact CG1-CG 4.24Å; V72-Q74 PolarHBondContact O-N 2.93Å; V72-M75 HydrophobicContact CG1-CB 3.98Å; V72-M75 HydrophobicContact CG1-CG 3.97Å; V72-M75 HydrophobicContact CG1-SD 4.19Å; V72-M75 PolarHBondContact O-N 3.07Å; V72-M75 VanDerWaalsContact O-N 3.16Å; V72-K102 CarbonylContact C-O 3.48Å; V72-K102 WeakPolarHBondContact CA-O 3.48Å; V72-K102 PolarHBondContact N-O 3.11Å; V72-Y103 HydrophobicContact CB-CD1 4.43Å; V72-Y103 HydrophobicContact CB-CE1 4.48Å
73R91.7Very high95Very high137 Ų13756.3 Ų56.352%0.51727%0.271SS..THydrogen-bonded Turntrans-67.5-18-171.3-65179.2-175.7173.14.7115.1S99 N101 K102 K104R73-S99 PolarHBondContact NH2-O 3.16Å; R73-N101 WeakPolarHBondContact CG-O 3.5Å; R73-N101 PolarHBondContact NE-O 2.81Å; R73-N101 VanDerWaalsContact NE-O 3.12Å; R73-K102 PolarHBondContact N-O 3.36Å; R73-K104 WeakPolarHBondContact O-CB 3.42Å
74Q91.6Very high94.9Very high149 Ų14956.4 Ų56.470%0.69628%0.275SS*.THydrogen-bonded Turntrans-77.7-25.8174.960.5-10012.800113.7V72V72-Q74 VanDerWaalsContact C-N 3.26Å; V72-Q74 HydrophobicContact CG1-CG 4.24Å; V72-Q74 PolarHBondContact O-N 2.93Å
75M94Very high94.8Very high59 Ų5957.1 Ų57.129%0.29128%0.284SS..SBendtrans-99152.9-174.4-70.9-171.3175.700111.9I34 V72 K104I34-M75 HydrophobicContact CD1-CB 4.04Å; I34-M75 HydrophobicContact CD1-SD 4.08Å; I34-M75 HydrophobicContact CG1-CB 4.22Å; I34-M75 HydrophobicContact CG1-SD 3.89Å; V72-M75 HydrophobicContact CG1-CB 3.98Å; V72-M75 HydrophobicContact CG1-CG 3.97Å; V72-M75 HydrophobicContact CG1-SD 4.19Å; V72-M75 PolarHBondContact O-N 3.07Å; V72-M75 VanDerWaalsContact O-N 3.16Å; M75-K104 VanDerWaalsContact O-CB 3.24Å; M75-K104 WeakPolarHBondContact O-CB 3.32Å; M75-K104 PolarHBondContact O-N 3.14Å
76K95.4Very high94.7Very high33 Ų3363.1 Ų63.114%0.14331%0.31CS..EExtended strand (participates in β ladder)trans-88.7149.5170.7-55.8-178.9-168.8158.50109.1E31 K33 I34 K104 A105 Y107E31-K76 IonicContact OE1-NZ 2.73Å; E31-K76 WeakPolarHBondContact OE2-CE 3.36Å; E31-K76 IonicContact OE2-NZ 3.39Å; E31-K76 PolarHBondContact OE2-NZ 2.83Å; K33-K76 WeakPolarHBondContact CA-O 3.49Å; K33-K76 HydrophobicContact CG-CB 4.42Å; I34-K76 PolarHBondContact N-O 3.1Å; I34-K76 VanDerWaalsContact N-O 3.08Å; K76-K104 HydrophobicContact CG-CB 4.33Å; K76-A105 HydrophobicContact CG-CB 4.25Å; K76-Y107 HydrophobicContact CB-CE2 4.23Å; K76-Y107 HydrophobicContact CD-CE2 3.77Å
77A96.8Very high94.7Very high0 Ų059.9 Ų59.90%030%0.298CS..EExtended strand (participates in β ladder)trans-108.6135.8178.500000111.2I34 L36 Y79 Y103 A105 A106 Y107I34-A77 CarbonylContact O-C 3.56Å; I34-A77 WeakPolarHBondContact O-CA 3.44Å; L36-A77 HydrophobicContact CD1-CB 3.69Å; A77-Y79 HydrophobicContact CB-CD2 4.15Å; A77-Y79 HydrophobicContact CB-CE2 3.56Å; A77-Y103 HydrophobicContact CB-CD1 3.98Å; A77-Y103 HydrophobicContact CB-CD2 3.51Å; A77-Y103 HydrophobicContact CB-CE1 4.45Å; A77-Y103 HydrophobicContact CB-CE2 4.05Å; A77-Y103 HydrophobicContact CB-CG 3.46Å; A77-Y103 VanDerWaalsContact CB-CG 3.46Å; A77-A105 PolarHBondContact N-O 2.95Å; A77-A106 CarbonylContact O-C 3.52Å; A77-A106 WeakPolarHBondContact O-CA 3.23Å; A77-Y107 PolarHBondContact O-N 3.05Å
78L97.9Very high94.7Very high0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-105.2108.5170.4-170.7170.1000107.4V22 F23 C26 I34 M35 L36 I59 F80 Y107 Y109V22-L78 HydrophobicContact CG1-CD1 3.96Å; V22-L78 HydrophobicContact CG1-CD2 3.91Å; V22-L78 HydrophobicContact CG1-CG 4.4Å; F23-L78 HydrophobicContact CD1-CD1 4.11Å; F23-L78 HydrophobicContact CE1-CD1 4.21Å; C26-L78 VanDerWaalsContact SG-CD1 3.55Å; I34-L78 PolarHBondContact O-N 3.38Å; M35-L78 CarbonylContact C-O 3.52Å; M35-L78 WeakPolarHBondContact CA-O 3.32Å; M35-L78 HydrophobicContact CE-CD2 3.94Å; M35-L78 HydrophobicContact CG-CD2 4.31Å; L36-L78 PolarHBondContact N-O 3.45Å; I59-L78 HydrophobicContact CD1-CD1 4.09Å; L78-F80 HydrophobicContact CD2-CB 3.85Å; L78-Y107 CarbonylContact C-O 3.5Å; L78-Y109 HydrophobicContact CD1-CE2 4.43Å; L78-Y109 HydrophobicContact CD2-CD2 3.87Å; L78-Y109 HydrophobicContact CD2-CE2 4.38Å; L78-Y109 HydrophobicContact CG-CD2 4.03Å; L78-Y109 HydrophobicContact CG-CE2 4.05Å
79Y98Very high94.9Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-90.2108.2173.7-67.9-98.4000108.1L36 I65 A77 F91 D94 F95 Y103 A106 Y107 Y109L36-Y79 HydrophobicContact CB-CD1 3.96Å; L36-Y79 HydrophobicContact CB-CE1 4.23Å; L36-Y79 HydrophobicContact CB-CG 4.42Å; L36-Y79 HydrophobicContact CD2-CD1 3.77Å; L36-Y79 HydrophobicContact CD2-CE1 3.18Å; L36-Y79 HydrophobicContact CD2-CE2 4.18Å; L36-Y79 HydrophobicContact CD2-CG 4.48Å; L36-Y79 VanDerWaalsContact CD2-CZ 3.41Å; L36-Y79 HydrophobicContact CG-CD1 4.47Å; L36-Y79 HydrophobicContact CG-CE1 4.29Å; I65-Y79 HydrophobicContact CD1-CD1 3.88Å; I65-Y79 HydrophobicContact CD1-CE1 4.09Å; A77-Y79 HydrophobicContact CB-CD2 4.15Å; A77-Y79 HydrophobicContact CB-CE2 3.56Å; Y79-F91 HydrophobicContact CD1-CB 4.33Å; Y79-F91 AromaticContact CD1-CD2 3.73Å; Y79-F91 HydrophobicContact CD1-CD2 3.73Å; Y79-F91 HydrophobicContact CD1-CG 4.49Å; Y79-F91 AromaticContact CD2-CD2 3.96Å; Y79-F91 HydrophobicContact CD2-CD2 3.96Å; Y79-F91 HydrophobicContact CD2-CE2 4.1Å; Y79-F91 HydrophobicContact CE1-CB 4.23Å; Y79-F91 AromaticContact CE1-CD2 3.57Å; Y79-F91 HydrophobicContact CE1-CD2 3.57Å; Y79-F91 HydrophobicContact CE1-CE2 4.46Å; Y79-F91 HydrophobicContact CE1-CG 4.4Å; Y79-F91 AromaticContact CE2-CD2 3.83Å; Y79-F91 HydrophobicContact CE2-CD2 3.83Å; Y79-F91 AromaticContact CE2-CE2 3.92Å; Y79-F91 HydrophobicContact CE2-CE2 3.92Å; Y79-F91 AromaticContact CG-CD2 3.91Å; Y79-F91 HydrophobicContact CG-CD2 3.91Å; Y79-F91 HydrophobicContact CG-CE2 4.46Å; Y79-F91 AromaticContact CZ-CD2 3.63Å; Y79-D94 WeakPolarHBondContact CE1-OD2 3.34Å; Y79-D94 WeakPolarHBondContact OH-CB 3.48Å; Y79-D94 PolarHBondContact OH-OD2 3.14Å; Y79-F95 AromaticContact CE2-CE2 3.81Å; Y79-F95 HydrophobicContact CE2-CE2 3.81Å; Y79-F95 HydrophobicContact CE2-CZ 4.27Å; Y79-F95 AromaticContact CZ-CE2 3.82Å; Y79-F95 VanDerWaalsContact OH-CE2 3.28Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.21Å; Y79-Y103 VanDerWaalsContact OH-CD2 3.31Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.26Å; Y79-Y103 VanDerWaalsContact OH-CE2 3.3Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.38Å; Y79-A106 HydrophobicContact CD2-CB 3.93Å; Y79-A106 HydrophobicContact CE2-CB 3.76Å; Y79-Y107 PolarHBondContact N-O 3.41Å; Y79-Y109 PolarHBondContact O-N 2.89Å
80F98.1Very high95Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-108.7103.3168.3-178.9-150.2000106.9I18 M35 L36 L37 T41 L44 L45 L78 Y109 T111 I136I18-F80 HydrophobicContact CD1-CE1 4.23Å; I18-F80 HydrophobicContact CD1-CZ 4.37Å; I18-F80 HydrophobicContact CG2-CE1 4.5Å; M35-F80 HydrophobicContact CE-CB 3.75Å; M35-F80 HydrophobicContact CE-CD1 3.81Å; M35-F80 HydrophobicContact CE-CG 4.24Å; L36-F80 PolarHBondContact O-N 2.91Å; L37-F80 HydrophobicContact CD2-CB 3.91Å; L37-F80 HydrophobicContact CD2-CD1 4.11Å; L37-F80 HydrophobicContact CD2-CG 4.43Å; T41-F80 WeakPolarHBondContact CB-O 3.4Å; T41-F80 HydrophobicContact CG2-CD1 4.2Å; T41-F80 HydrophobicContact CG2-CD2 4.07Å; T41-F80 HydrophobicContact CG2-CE1 4.25Å; T41-F80 HydrophobicContact CG2-CE2 4.09Å; T41-F80 HydrophobicContact CG2-CG 4.12Å; T41-F80 HydrophobicContact CG2-CZ 4.19Å; T41-F80 WeakPolarHBondContact CG2-O 3.45Å; T41-F80 PolarHBondContact OG1-O 3.22Å; L44-F80 HydrophobicContact CD2-CE1 4.15Å; L44-F80 HydrophobicContact CD2-CZ 3.76Å; L45-F80 HydrophobicContact CD1-CD1 4.1Å; L45-F80 HydrophobicContact CD1-CE1 4.48Å; L45-F80 HydrophobicContact CD2-CD1 4.34Å; L45-F80 HydrophobicContact CD2-CE1 4Å; L45-F80 HydrophobicContact CG-CD1 4.21Å; L45-F80 HydrophobicContact CG-CE1 4.1Å; L78-F80 HydrophobicContact CD2-CB 3.85Å; F80-Y109 WeakPolarHBondContact CA-O 3.46Å; F80-T111 HydrophobicContact CD2-CG2 4.37Å; F80-T111 HydrophobicContact CE2-CG2 3.69Å; F80-T111 HydrophobicContact CZ-CG2 4.2Å; F80-I136 HydrophobicContact CD2-CD1 4.42Å; F80-I136 HydrophobicContact CE2-CD1 3.25Å; F80-I136 HydrophobicContact CE2-CG1 4.04Å; F80-I136 HydrophobicContact CZ-CD1 3.38Å
81I97.5Very high95.2Very high1 Ų141.3 Ų41.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-143.6159-166.154.8172.3000111.9D38 I65 Y109 F110 T111D38-I81 HydrophobicContact CB-CG2 4.38Å; I65-I81 HydrophobicContact CD1-CD1 4.31Å; I65-I81 HydrophobicContact CD1-CG2 3.86Å; I65-I81 HydrophobicContact CG2-CG2 4.49Å; I81-Y109 PolarHBondContact N-O 3.04Å; I81-F110 HydrophobicContact CD1-CD1 4.49Å; I81-F110 HydrophobicContact CD1-CE1 3.85Å; I81-F110 HydrophobicContact CG1-CD1 4.02Å; I81-F110 HydrophobicContact CG1-CE1 3.89Å; I81-F110 VanDerWaalsContact O-CA 3.27Å; I81-F110 WeakPolarHBondContact O-CA 3.42Å; I81-T111 PolarHBondContact O-N 2.89Å
82T95.5Very high95.2Very high23 Ų2338.8 Ų38.814%0.14120%0.196CC..  trans-80142.5172.6-44.80000109.7D38 T84 S87 T111D38-T82 WeakPolarHBondContact OD2-CA 3.29Å; D38-T82 WeakPolarHBondContact OD2-CB 3.46Å; D38-T82 PolarHBondContact OD2-N 2.92Å; D38-T82 PolarHBondContact OD2-OG1 3.15Å; T82-T84 HydrophobicContact CG2-CG2 3.85Å; T82-T84 PolarHBondContact O-N 2.88Å; T82-S87 WeakPolarHBondContact O-CB 3.29Å; T82-T111 WeakPolarHBondContact CA-OG1 3.47Å
83P94.9Very high95.1Very high21 Ų2143.9 Ų43.914%0.13622%0.217CC..SBendtrans-7258.9177.931.4-37.8000112.6F110 T111 D112 F113 C114 L118P83-F110 HydrophobicContact CB-CD1 3.91Å; P83-F110 HydrophobicContact CB-CE1 4.34Å; P83-F110 HydrophobicContact CB-CG 4.34Å; P83-T111 WeakPolarHBondContact CD-OG1 3.43Å; P83-D112 HydrophobicContact CG-CB 4.38Å; P83-F113 WeakPolarHBondContact CG-O 3.28Å; P83-C114 HydrophobicContact CB-CB 4.23Å; P83-L118 VanDerWaalsContact O-CD1 3.26Å; P83-L118 WeakPolarHBondContact O-CD1 3.47Å
84T93.6Very high95.2Very high54 Ų5437.5 Ų37.533%0.33119%0.193SC..  trans-102.1148.4176.8570000110.4T82 K86 S87 V88T82-T84 HydrophobicContact CG2-CG2 3.85Å; T82-T84 PolarHBondContact O-N 2.88Å; T84-K86 PolarHBondContact O-N 2.82Å; T84-S87 PolarHBondContact O-N 3.27Å; T84-S87 VanDerWaalsContact OG1-CB 3.28Å; T84-S87 WeakPolarHBondContact OG1-CB 3.14Å; T84-S87 PolarHBondContact OG1-N 2.97Å; T84-S87 PolarHBondContact OG1-OG 2.86Å; T84-V88 WeakPolarHBondContact O-CB 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.34Å; T84-V88 PolarHBondContact O-N 2.86Å
85S94.5Very high95.2Very high67 Ų6730.7 Ų30.747%0.46916%0.161SC..Hα-helixtrans-52.9-43.8175.6-56.80000111.6S87 V88 D89S85-S87 PolarHBondContact O-N 3.39Å; S85-V88 PolarHBondContact O-N 3.11Å; S85-D89 VanDerWaalsContact O-CB 3.24Å; S85-D89 WeakPolarHBondContact O-CB 3.24Å; S85-D89 PolarHBondContact O-N 2.99Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å
86K95.4Very high94.7Very high127 Ų12731.3 Ų31.355%0.55218%0.176SC*.Hα-helixtrans-60.3-48.5179.6-165.9-173.9176.2-178.30112.3Y66 T84 C90Y66-K86 HydrophobicContact CD1-CD 3.94Å; Y66-K86 HydrophobicContact CD1-CG 3.96Å; Y66-K86 HydrophobicContact CE1-CB 4.11Å; Y66-K86 HydrophobicContact CE1-CD 3.51Å; Y66-K86 HydrophobicContact CE1-CG 3.51Å; T84-K86 PolarHBondContact O-N 2.82Å; K86-C90 PolarHBondContact O-N 2.91Å; K86-C90 PolarHBondContact O-SG 3.5Å
87S95.9Very high93.7Very high0 Ų032 Ų320%018%0.184CC..Hα-helixtrans-68-40.8-179.6-64.30000112D38 I65 Y66 T82 T84 S85 C90 F91D38-S87 PolarHBondContact OD2-OG 3.48Å; I65-S87 WeakPolarHBondContact CD1-O 3.2Å; Y66-S87 PolarHBondContact OH-OG 2.76Å; T82-S87 WeakPolarHBondContact O-CB 3.29Å; T84-S87 PolarHBondContact O-N 3.27Å; T84-S87 VanDerWaalsContact OG1-CB 3.28Å; T84-S87 WeakPolarHBondContact OG1-CB 3.14Å; T84-S87 PolarHBondContact OG1-N 2.97Å; T84-S87 PolarHBondContact OG1-OG 2.86Å; S85-S87 PolarHBondContact O-N 3.39Å; S87-C90 PolarHBondContact O-N 3.36Å; S87-F91 PolarHBondContact O-N 3.06Å
88V95.7Very high92.5Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-66.3-44.7177.51720000111.2T84 S85 C90 F91 L92 F110 L118 I122T84-V88 WeakPolarHBondContact O-CB 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.34Å; T84-V88 PolarHBondContact O-N 2.86Å; S85-V88 PolarHBondContact O-N 3.11Å; V88-C90 PolarHBondContact O-N 2.63Å; V88-F91 WeakPolarHBondContact O-CB 3.33Å; V88-F91 PolarHBondContact O-N 3.16Å; V88-F91 VanDerWaalsContact O-N 3.14Å; V88-L92 HydrophobicContact CG1-CD1 4.2Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.22Å; V88-F110 HydrophobicContact CG2-CE1 4.03Å; V88-F110 HydrophobicContact CG2-CZ 4.18Å; V88-L118 HydrophobicContact CG2-CB 4.4Å; V88-L118 HydrophobicContact CG2-CD1 4.2Å; V88-I122 HydrophobicContact CG1-CD1 3.79Å; V88-I122 HydrophobicContact CG1-CG1 3.64Å; V88-I122 HydrophobicContact CG2-CD1 4.2Å
89D94.9Very high91.3Very high57 Ų5743.9 Ų43.931%0.30525%0.246SC..Hα-helixtrans-63.1-42.1178.3-67.8-25.1000110.7S85 F91 L92 H93S85-D89 VanDerWaalsContact O-CB 3.24Å; S85-D89 WeakPolarHBondContact O-CB 3.24Å; S85-D89 PolarHBondContact O-N 2.99Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å; D89-F91 VanDerWaalsContact C-N 3.32Å; D89-F91 PolarHBondContact O-N 3.31Å; D89-L92 WeakPolarHBondContact O-CB 3.22Å; D89-L92 PolarHBondContact O-N 2.81Å; D89-L92 VanDerWaalsContact O-N 3.16Å; D89-H93 PolarHBondContact O-CD2 2.97Å; D89-H93 PolarHBondContact O-N 3.49Å
90C94.9Very high90.5Very high29 Ų2949.8 Ų49.820%0.19627%0.274CS..Hα-helixtrans-60.9-38.9172.6-69.20000112.9I65 K86 S87 V88 H93 D94I65-C90 HydrophobicContact CD1-CB 4.1Å; I65-C90 HydrophobicContact CG1-CB 3.76Å; K86-C90 PolarHBondContact O-N 2.91Å; K86-C90 PolarHBondContact O-SG 3.5Å; S87-C90 PolarHBondContact O-N 3.36Å; V88-C90 PolarHBondContact O-N 2.63Å; C90-H93 PolarHBondContact O-N 3.06Å; C90-D94 PolarHBondContact O-N 2.7Å
91F95.4Very high90.1Very high0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-62.4-44.5172.5162.3-95.7000111.7I65 Y79 S87 V88 D89 H93 D94 F95 A106 I108 I122 C126 I130I65-F91 HydrophobicContact CD1-CB 4.29Å; Y79-F91 HydrophobicContact CD1-CB 4.33Å; Y79-F91 AromaticContact CD1-CD2 3.73Å; Y79-F91 HydrophobicContact CD1-CD2 3.73Å; Y79-F91 HydrophobicContact CD1-CG 4.49Å; Y79-F91 AromaticContact CD2-CD2 3.96Å; Y79-F91 HydrophobicContact CD2-CD2 3.96Å; Y79-F91 HydrophobicContact CD2-CE2 4.1Å; Y79-F91 HydrophobicContact CE1-CB 4.23Å; Y79-F91 AromaticContact CE1-CD2 3.57Å; Y79-F91 HydrophobicContact CE1-CD2 3.57Å; Y79-F91 HydrophobicContact CE1-CE2 4.46Å; Y79-F91 HydrophobicContact CE1-CG 4.4Å; Y79-F91 AromaticContact CE2-CD2 3.83Å; Y79-F91 HydrophobicContact CE2-CD2 3.83Å; Y79-F91 AromaticContact CE2-CE2 3.92Å; Y79-F91 HydrophobicContact CE2-CE2 3.92Å; Y79-F91 AromaticContact CG-CD2 3.91Å; Y79-F91 HydrophobicContact CG-CD2 3.91Å; Y79-F91 HydrophobicContact CG-CE2 4.46Å; Y79-F91 AromaticContact CZ-CD2 3.63Å; S87-F91 PolarHBondContact O-N 3.06Å; V88-F91 WeakPolarHBondContact O-CB 3.33Å; V88-F91 PolarHBondContact O-N 3.16Å; V88-F91 VanDerWaalsContact O-N 3.14Å; D89-F91 VanDerWaalsContact C-N 3.32Å; D89-F91 PolarHBondContact O-N 3.31Å; F91-H93 VanDerWaalsContact C-N 3.29Å; F91-H93 PolarHBondContact O-N 2.73Å; F91-D94 WeakPolarHBondContact O-CB 3.46Å; F91-D94 PolarHBondContact O-N 3.06Å; F91-D94 VanDerWaalsContact O-N 3.15Å; F91-F95 HydrophobicContact CD2-CD2 4.29Å; F91-F95 HydrophobicContact CD2-CE2 4.17Å; F91-F95 AromaticContact CE2-CD2 3.73Å; F91-F95 HydrophobicContact CE2-CD2 3.73Å; F91-F95 AromaticContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CD2 4.02Å; F91-F95 HydrophobicContact CZ-CE2 4.26Å; F91-A106 HydrophobicContact CE2-CB 3.76Å; F91-A106 HydrophobicContact CZ-CB 4.36Å; F91-I108 HydrophobicContact CD1-CD1 4.31Å; F91-I108 HydrophobicContact CD2-CD1 4.3Å; F91-I108 HydrophobicContact CD2-CG1 4.49Å; F91-I108 HydrophobicContact CE1-CD1 3.73Å; F91-I108 HydrophobicContact CE2-CD1 3.71Å; F91-I108 HydrophobicContact CE2-CG1 3.99Å; F91-I108 HydrophobicContact CZ-CD1 3.42Å; F91-I108 VanDerWaalsContact CZ-CD1 3.42Å; F91-I108 HydrophobicContact CZ-CG1 4.19Å; F91-I122 HydrophobicContact CD1-CG1 4.42Å; F91-I122 HydrophobicContact CE1-CG1 4.45Å; F91-I122 HydrophobicContact CE1-CG2 4.03Å; F91-C126 HydrophobicContact CE1-CB 3.93Å; F91-C126 HydrophobicContact CZ-CB 4.05Å; F91-I130 HydrophobicContact CE1-CD1 4.15Å; F91-I130 HydrophobicContact CZ-CD1 3.88Å; F91-I130 HydrophobicContact CZ-CG1 3.84Å
92L93.7Very high89.9Confident24 Ų2452.4 Ų52.413%0.12629%0.286CS..Hα-helixtrans-60.4-40178.5-69175.1000111.6V88 D89 D94 F95 A96 K121 I122 C126V88-L92 HydrophobicContact CG1-CD1 4.2Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.22Å; D89-L92 WeakPolarHBondContact O-CB 3.22Å; D89-L92 PolarHBondContact O-N 2.81Å; D89-L92 VanDerWaalsContact O-N 3.16Å; L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 3.41Å; L92-F95 CarbonylContact O-C 3.53Å; L92-F95 PolarHBondContact O-N 2.87Å; L92-A96 PolarHBondContact O-N 3.38Å; L92-K121 HydrophobicContact CD1-CB 4.2Å; L92-I122 HydrophobicContact CD2-CG1 4.39Å; L92-C126 HydrophobicContact CD2-CB 4.47Å; L92-C126 VanDerWaalsContact CD2-SG 3.56Å
93H92.3Very high89.9Confident140 Ų14051.4 Ų51.465%0.64828%0.28SS*.Hα-helixtrans-62.6-29.8176.9-75.2-60.9000113.5D89 C90 F91 F95D89-H93 PolarHBondContact O-CD2 2.97Å; D89-H93 PolarHBondContact O-N 3.49Å; C90-H93 PolarHBondContact O-N 3.06Å; F91-H93 VanDerWaalsContact C-N 3.29Å; F91-H93 PolarHBondContact O-N 2.73Å; H93-F95 PolarHBondContact O-N 2.95Å
94D93.5Very high89.8Confident3 Ų356.7 Ų56.72%0.01630%0.301CS..THydrogen-bonded Turntrans-69.5-16.4178.4-70.1-16.9000113.4R69 Y79 C90 F91 L92 K102R69-D94 IonicContact CZ-OD1 3.9Å; R69-D94 IonicContact CZ-OD2 3.56Å; R69-D94 IonicContact NH1-OD1 3.49Å; R69-D94 IonicContact NH1-OD2 2.71Å; R69-D94 PolarHBondContact NH1-OD2 2.85Å; R69-D94 IonicContact NH2-OD1 2.91Å; R69-D94 PolarHBondContact NH2-OD1 2.71Å; R69-D94 IonicContact NH2-OD2 2.55Å; R69-D94 PolarHBondContact NH2-OD2 3.4Å; R69-D94 VanDerWaalsContact NH2-OD2 3.11Å; Y79-D94 WeakPolarHBondContact CE1-OD2 3.34Å; Y79-D94 WeakPolarHBondContact OH-CB 3.48Å; Y79-D94 PolarHBondContact OH-OD2 3.14Å; C90-D94 PolarHBondContact O-N 2.7Å; F91-D94 WeakPolarHBondContact O-CB 3.46Å; F91-D94 PolarHBondContact O-N 3.06Å; F91-D94 VanDerWaalsContact O-N 3.15Å; L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 3.41Å; D94-K102 HydrophobicContact CB-CB 4.37Å; D94-K102 HydrophobicContact CB-CD 4.35Å; D94-K102 HydrophobicContact CB-CG 4.3Å; D94-K102 PolarHBondContact O-N 2.72Å; D94-K102 WeakPolarHBondContact OD1-CD 3.21Å; D94-K102 WeakPolarHBondContact OD1-CE 3.41Å; D94-K102 IonicContact OD1-NZ 2.74Å
95F90.9Very high89.8Confident7 Ų754.2 Ų54.23%0.03129%0.286CS..THydrogen-bonded Turntrans-131.823.2-176.4-62.5-79.7000113.4Y79 F91 L92 H93 S97 N101 Y103 A106 C126Y79-F95 AromaticContact CE2-CE2 3.81Å; Y79-F95 HydrophobicContact CE2-CE2 3.81Å; Y79-F95 HydrophobicContact CE2-CZ 4.27Å; Y79-F95 AromaticContact CZ-CE2 3.82Å; Y79-F95 VanDerWaalsContact OH-CE2 3.28Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.21Å; F91-F95 HydrophobicContact CD2-CD2 4.29Å; F91-F95 HydrophobicContact CD2-CE2 4.17Å; F91-F95 AromaticContact CE2-CD2 3.73Å; F91-F95 HydrophobicContact CE2-CD2 3.73Å; F91-F95 AromaticContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CD2 4.02Å; F91-F95 HydrophobicContact CZ-CE2 4.26Å; L92-F95 CarbonylContact O-C 3.53Å; L92-F95 PolarHBondContact O-N 2.87Å; H93-F95 PolarHBondContact O-N 2.95Å; F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 2.89Å; F95-N101 HydrophobicContact CD1-CB 4.36Å; F95-Y103 HydrophobicContact CZ-CD2 4.17Å; F95-A106 HydrophobicContact CE2-CB 3.82Å; F95-A106 HydrophobicContact CZ-CB 3.77Å; F95-C126 HydrophobicContact CB-CB 4.25Å
96A83.3Confident89.9Confident71 Ų7151 Ų5159%0.58726%0.263SS*.SBendtrans-60.1-36.7-174.900000113.4L92L92-A96 PolarHBondContact O-N 3.38Å
97S75.6Confident90Very high47 Ų4746.4 Ų46.433%0.32924%0.243SC..SBendtrans-138.8146.1176.4175.60000111.6F95 S99 E100 N101F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 2.89Å; S97-S99 PolarHBondContact O-N 2.77Å; S97-S99 PolarHBondContact OG-OG 3.02Å; S97-S99 VanDerWaalsContact OG-OG 3.11Å; S97-E100 CarbonylContact O-C 3.44Å; S97-E100 WeakPolarHBondContact O-CA 3.44Å; S97-E100 PolarHBondContact O-N 3.43Å; S97-N101 PolarHBondContact O-N 3.36Å; S97-N101 PolarHBondContact O-OD1 3.35Å; S97-N101 VanDerWaalsContact O-OD1 3.06Å
98K70.1Confident90Very high172 Ų17246.4 Ų46.475%0.74824%0.243SC*.THydrogen-bonded Turntrans-56.6-33.8178.2-72.5-172.9178.8-178.60113.3
99S74.3Confident90.1Very high78 Ų7846.4 Ų46.455%0.54524%0.243SC..THydrogen-bonded Turntrans-75.9-14.4177.453.30000113.1R73 S97R73-S99 PolarHBondContact NH2-O 3.16Å; S97-S99 PolarHBondContact O-N 2.77Å; S97-S99 PolarHBondContact OG-OG 3.02Å; S97-S99 VanDerWaalsContact OG-OG 3.11Å
100E80.9Confident90.3Very high125 Ų12543.7 Ų43.758%0.58423%0.228SC*.THydrogen-bonded Turntrans-117.40.6-173.5-65.5179.1175.100113.1S97 K102S97-E100 CarbonylContact O-C 3.44Å; S97-E100 WeakPolarHBondContact O-CA 3.44Å; S97-E100 PolarHBondContact O-N 3.43Å; E100-K102 PolarHBondContact O-N 3.08Å; E100-K102 VanDerWaalsContact O-N 3.15Å
101N89.6Confident90.3Very high30 Ų3042.3 Ų42.316%0.1622%0.219CC..  trans-48.5124.4175.5-79-0.9000110.6R73 F95 S97R73-N101 WeakPolarHBondContact CG-O 3.5Å; R73-N101 PolarHBondContact NE-O 2.81Å; R73-N101 VanDerWaalsContact NE-O 3.12Å; F95-N101 HydrophobicContact CD1-CB 4.36Å; S97-N101 PolarHBondContact O-N 3.36Å; S97-N101 PolarHBondContact O-OD1 3.35Å; S97-N101 VanDerWaalsContact O-OD1 3.06Å
102K92.5Very high90.2Very high25 Ų2543.1 Ų43.111%0.10922%0.223CC..SBendtrans-73.9-33.8176.6-66.7-158.2-174.4-167.40112.5N68 R69 P71 V72 R73 D94 E100N68-K102 PolarHBondContact OD1-NZ 3.12Å; N68-K102 VanDerWaalsContact OD1-NZ 3.1Å; R69-K102 PolarHBondContact O-NZ 3.47Å; P71-K102 CarbonylContact C-O 3.56Å; V72-K102 CarbonylContact C-O 3.48Å; V72-K102 WeakPolarHBondContact CA-O 3.48Å; V72-K102 PolarHBondContact N-O 3.11Å; R73-K102 PolarHBondContact N-O 3.36Å; D94-K102 HydrophobicContact CB-CB 4.37Å; D94-K102 HydrophobicContact CB-CD 4.35Å; D94-K102 HydrophobicContact CB-CG 4.3Å; D94-K102 PolarHBondContact O-N 2.72Å; D94-K102 WeakPolarHBondContact OD1-CD 3.21Å; D94-K102 WeakPolarHBondContact OD1-CE 3.41Å; D94-K102 IonicContact OD1-NZ 2.74Å; E100-K102 PolarHBondContact O-N 3.08Å; E100-K102 VanDerWaalsContact O-N 3.15Å
103Y95.1Very high90.1Very high3 Ų346.1 Ų46.11%0.01224%0.236CC..BIsolated β-bridgetrans-131.6162.9-173.9-49.8-72.9000112.4I34 L36 E63 R69 V72 A77 Y79 F95 A105I34-Y103 HydrophobicContact CB-CE1 4.44Å; I34-Y103 HydrophobicContact CD1-CD1 4Å; I34-Y103 HydrophobicContact CD1-CE1 3.68Å; I34-Y103 HydrophobicContact CG2-CE1 4.38Å; L36-Y103 HydrophobicContact CD1-CE2 4.45Å; L36-Y103 HydrophobicContact CD2-CE2 3.72Å; E63-Y103 PolarHBondContact OE2-OH 2.94Å; R69-Y103 PolarHBondContact NH1-OH 3.13Å; V72-Y103 HydrophobicContact CB-CD1 4.43Å; V72-Y103 HydrophobicContact CB-CE1 4.48Å; A77-Y103 HydrophobicContact CB-CD1 3.98Å; A77-Y103 HydrophobicContact CB-CD2 3.51Å; A77-Y103 HydrophobicContact CB-CE1 4.45Å; A77-Y103 HydrophobicContact CB-CE2 4.05Å; A77-Y103 HydrophobicContact CB-CG 3.46Å; A77-Y103 VanDerWaalsContact CB-CG 3.46Å; Y79-Y103 VanDerWaalsContact OH-CD2 3.31Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.26Å; Y79-Y103 VanDerWaalsContact OH-CE2 3.3Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.38Å; F95-Y103 HydrophobicContact CZ-CD2 4.17Å; Y103-A105 PolarHBondContact O-N 3.2Å
104K93.5Very high90.1Very high131 Ų13140 Ų4057%0.5721%0.209SC*.SBendtrans-63.4-40.3179.1-172.1172.1178.9173.40113R73 M75 K76R73-K104 WeakPolarHBondContact O-CB 3.42Å; M75-K104 VanDerWaalsContact O-CB 3.24Å; M75-K104 WeakPolarHBondContact O-CB 3.32Å; M75-K104 PolarHBondContact O-N 3.14Å; K76-K104 HydrophobicContact CG-CB 4.33Å
105A93.9Very high90.1Very high2 Ų242.9 Ų42.92%0.01723%0.227CC..  trans-163.7160.6-178.300000110K76 A77 Y103 S129 R131K76-A105 HydrophobicContact CG-CB 4.25Å; A77-A105 PolarHBondContact N-O 2.95Å; Y103-A105 PolarHBondContact O-N 3.2Å; A105-S129 WeakPolarHBondContact CA-O 3.39Å; A105-R131 HydrophobicContact CB-CG 3.76Å
106A96.1Very high90.3Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-116.9136.5178.700000112.4A77 Y79 F91 F95 S129 I130 R131A77-A106 CarbonylContact O-C 3.52Å; A77-A106 WeakPolarHBondContact O-CA 3.23Å; Y79-A106 HydrophobicContact CD2-CB 3.93Å; Y79-A106 HydrophobicContact CE2-CB 3.76Å; F91-A106 HydrophobicContact CE2-CB 3.76Å; F91-A106 HydrophobicContact CZ-CB 4.36Å; F95-A106 HydrophobicContact CE2-CB 3.82Å; F95-A106 HydrophobicContact CZ-CB 3.77Å; A106-S129 PolarHBondContact N-O 3.26Å; A106-I130 WeakPolarHBondContact O-CA 3.23Å; A106-R131 PolarHBondContact O-N 2.99Å
107Y97.2Very high90.9Very high30 Ų3050.1 Ų50.112%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-110.4119.4161.6-63.7-99.9000107.2C26 K76 A77 L78 Y79 R131 R132C26-Y107 HydrophobicContact CB-CD1 3.61Å; C26-Y107 HydrophobicContact CB-CE1 3.81Å; C26-Y107 HydrophobicContact CB-CG 4.05Å; K76-Y107 HydrophobicContact CB-CE2 4.23Å; K76-Y107 HydrophobicContact CD-CE2 3.77Å; A77-Y107 PolarHBondContact O-N 3.05Å; L78-Y107 CarbonylContact C-O 3.5Å; Y79-Y107 PolarHBondContact N-O 3.41Å; Y107-R131 HydrophobicContact CD1-CB 4.27Å; Y107-R131 HydrophobicContact CE1-CB 3.89Å; Y107-R131 HydrophobicContact CE2-CB 4.36Å; Y107-R132 HydrophobicContact CD1-CB 3.8Å; Y107-R132 HydrophobicContact CE1-CB 4.47Å
108I97.3Very high91.8Very high0 Ų048.2 Ų48.20%024%0.243CC..EExtended strand (participates in β ladder)trans-105.7125.2-178.2-50.3174.1000108.4F91 F110 I122 I130 R132 C133 K134F91-I108 HydrophobicContact CD1-CD1 4.31Å; F91-I108 HydrophobicContact CD2-CD1 4.3Å; F91-I108 HydrophobicContact CD2-CG1 4.49Å; F91-I108 HydrophobicContact CE1-CD1 3.73Å; F91-I108 HydrophobicContact CE2-CD1 3.71Å; F91-I108 HydrophobicContact CE2-CG1 3.99Å; F91-I108 HydrophobicContact CZ-CD1 3.42Å; F91-I108 VanDerWaalsContact CZ-CD1 3.42Å; F91-I108 HydrophobicContact CZ-CG1 4.19Å; I108-F110 HydrophobicContact CG2-CD1 4.48Å; I108-F110 HydrophobicContact CG2-CD2 4.1Å; I108-F110 HydrophobicContact CG2-CE1 4.1Å; I108-F110 HydrophobicContact CG2-CE2 3.68Å; I108-F110 HydrophobicContact CG2-CG 4.47Å; I108-F110 HydrophobicContact CG2-CZ 3.68Å; I108-I122 HydrophobicContact CD1-CG2 4.27Å; I108-I130 HydrophobicContact CD1-CD1 3.72Å; I108-I130 HydrophobicContact CD1-CG1 3.92Å; I108-I130 HydrophobicContact CD1-CG2 4.24Å; I108-R132 PolarHBondContact N-O 2.98Å; I108-C133 CarbonylContact O-C 3.11Å; I108-C133 VanDerWaalsContact O-CA 3.31Å; I108-C133 WeakPolarHBondContact O-CA 3.47Å; I108-K134 PolarHBondContact O-N 2.92Å
109Y97.9Very high93Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-122.5112.2172.7-64.8-85000107.6T21 V22 D25 C26 L78 Y79 F80 I81 R132 K134 I136T21-Y109 WeakPolarHBondContact O-CE1 3.31Å; V22-Y109 HydrophobicContact CB-CD1 4.28Å; V22-Y109 HydrophobicContact CB-CE1 4.47Å; V22-Y109 HydrophobicContact CB-CG 4.34Å; V22-Y109 HydrophobicContact CG1-CD1 4.26Å; V22-Y109 HydrophobicContact CG1-CD2 3.73Å; V22-Y109 HydrophobicContact CG1-CE2 4.01Å; V22-Y109 HydrophobicContact CG1-CG 3.85Å; V22-Y109 HydrophobicContact CG2-CD1 3.92Å; V22-Y109 HydrophobicContact CG2-CG 4.05Å; V22-Y109 PolarHBondContact O-OH 2.79Å; D25-Y109 WeakPolarHBondContact OD2-CE1 3.5Å; D25-Y109 PolarHBondContact OD2-OH 3.38Å; C26-Y109 WeakPolarHBondContact CB-OH 3.19Å; L78-Y109 HydrophobicContact CD1-CE2 4.43Å; L78-Y109 HydrophobicContact CD2-CD2 3.87Å; L78-Y109 HydrophobicContact CD2-CE2 4.38Å; L78-Y109 HydrophobicContact CG-CD2 4.03Å; L78-Y109 HydrophobicContact CG-CE2 4.05Å; Y79-Y109 PolarHBondContact O-N 2.89Å; F80-Y109 WeakPolarHBondContact CA-O 3.46Å; I81-Y109 PolarHBondContact N-O 3.04Å; Y109-R132 PolarHBondContact OH-NH1 2.93Å; Y109-K134 CarbonylContact C-O 3.53Å; Y109-K134 VanDerWaalsContact CA-O 3.27Å; Y109-K134 WeakPolarHBondContact CA-O 2.88Å; Y109-K134 HydrophobicContact CD1-CB 4.01Å; Y109-K134 HydrophobicContact CE1-CB 4.12Å; Y109-K134 HydrophobicContact CE1-CD 4.2Å; Y109-I136 HydrophobicContact CD1-CG2 4.31Å
110F97.7Very high93.9Very high1 Ų144.4 Ų44.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-87.8137174.6-71.9-62.6000110.8I81 P83 V88 I108 D112 C114 I122 K134 E135 I136I81-F110 HydrophobicContact CD1-CD1 4.49Å; I81-F110 HydrophobicContact CD1-CE1 3.85Å; I81-F110 HydrophobicContact CG1-CD1 4.02Å; I81-F110 HydrophobicContact CG1-CE1 3.89Å; I81-F110 VanDerWaalsContact O-CA 3.27Å; I81-F110 WeakPolarHBondContact O-CA 3.42Å; P83-F110 HydrophobicContact CB-CD1 3.91Å; P83-F110 HydrophobicContact CB-CE1 4.34Å; P83-F110 HydrophobicContact CB-CG 4.34Å; V88-F110 HydrophobicContact CG2-CE1 4.03Å; V88-F110 HydrophobicContact CG2-CZ 4.18Å; I108-F110 HydrophobicContact CG2-CD1 4.48Å; I108-F110 HydrophobicContact CG2-CD2 4.1Å; I108-F110 HydrophobicContact CG2-CE1 4.1Å; I108-F110 HydrophobicContact CG2-CE2 3.68Å; I108-F110 HydrophobicContact CG2-CG 4.47Å; I108-F110 HydrophobicContact CG2-CZ 3.68Å; F110-D112 VanDerWaalsContact CB-O 3.31Å; F110-D112 WeakPolarHBondContact CB-O 3.42Å; F110-D112 PolarHBondContact O-N 3.23Å; F110-C114 HydrophobicContact CD2-CB 3.8Å; F110-C114 HydrophobicContact CE2-CB 3.95Å; F110-C114 HydrophobicContact CG-CB 4.34Å; F110-I122 HydrophobicContact CE2-CD1 4.13Å; F110-I122 HydrophobicContact CZ-CD1 3.63Å; F110-K134 PolarHBondContact N-O 3.16Å; F110-E135 HydrophobicContact CB-CG 4.27Å; F110-I136 WeakPolarHBondContact O-CG1 3.47Å; F110-I136 PolarHBondContact O-N 2.9Å
111T95.5Very high94.5Very high0 Ų042.9 Ų42.90%021%0.212CC..SBendtrans-60.7-34.7175.255.60000112.2F40 T41 F80 I81 T82 P83 N137 I138F40-T111 HydrophobicContact CD1-CG2 3.87Å; F40-T111 HydrophobicContact CE1-CG2 3.78Å; T41-T111 HydrophobicContact CG2-CG2 3.26Å; F80-T111 HydrophobicContact CD2-CG2 4.37Å; F80-T111 HydrophobicContact CE2-CG2 3.69Å; F80-T111 HydrophobicContact CZ-CG2 4.2Å; I81-T111 PolarHBondContact O-N 2.89Å; T82-T111 WeakPolarHBondContact CA-OG1 3.47Å; P83-T111 WeakPolarHBondContact CD-OG1 3.43Å; T111-N137 CarbonylContact O-C 3.59Å; T111-N137 WeakPolarHBondContact O-CA 3.42Å; T111-N137 PolarHBondContact O-N 3.44Å; T111-N137 VanDerWaalsContact O-N 3.07Å; T111-I138 WeakPolarHBondContact CB-O 3.38Å; T111-I138 CarbonylContact O-C 3.57Å; T111-I138 PolarHBondContact O-N 2.85Å
112D92.7Very high94.7Very high16 Ų1641.7 Ų41.79%0.08621%0.205CC..SBendtrans-142.7-177.1179.9-148.9-10000111.6P83 F110 C114 N137P83-D112 HydrophobicContact CG-CB 4.38Å; F110-D112 VanDerWaalsContact CB-O 3.31Å; F110-D112 WeakPolarHBondContact CB-O 3.42Å; F110-D112 PolarHBondContact O-N 3.23Å; D112-C114 PolarHBondContact O-N 3.34Å; D112-N137 PolarHBondContact OD1-ND2 2.97Å
113F91.3Very high94.6Very high88 Ų8846.9 Ų46.939%0.38623%0.228SC..PPolyproline II helixtrans-51.8128.6177.5-67.6-71.6000112.2P83 P115 E135 N137 Y218P83-F113 WeakPolarHBondContact CG-O 3.28Å; F113-P115 WeakPolarHBondContact O-CD 3.33Å; F113-E135 WeakPolarHBondContact CD1-OE2 3.4Å; F113-N137 VanDerWaalsContact CE2-ND2 3.3Å; F113-N137 WeakPolarHBondContact CE2-ND2 3.48Å; F113-N137 WeakPolarHBondContact CZ-ND2 3.11Å; F113-Y218 AromaticContact CE2-CD2 3.68Å; F113-Y218 HydrophobicContact CE2-CD2 3.68Å; F113-Y218 AromaticContact CE2-CE2 3.94Å; F113-Y218 HydrophobicContact CE2-CE2 3.94Å; F113-Y218 AromaticContact CZ-CD2 3.57Å; F113-Y218 HydrophobicContact CZ-CD2 3.57Å; F113-Y218 AromaticContact CZ-CE2 3.67Å; F113-Y218 HydrophobicContact CZ-CE2 3.67Å
114C93.8Very high94.4Very high12 Ų1250.7 Ų50.78%0.08126%0.26CS..PPolyproline II helixtrans-87.7117.2177.2-168.90000110.1P83 F110 D112 E135P83-C114 HydrophobicContact CB-CB 4.23Å; F110-C114 HydrophobicContact CD2-CB 3.8Å; F110-C114 HydrophobicContact CE2-CB 3.95Å; F110-C114 HydrophobicContact CG-CB 4.34Å; D112-C114 PolarHBondContact O-N 3.34Å; C114-E135 PolarHBondContact N-OE1 3.27Å
115P93.5Very high93.9Very high62 Ų6248.3 Ų48.340%0.40326%0.26SS..PPolyproline II helixtrans-58.9142177.3-26.937000112.6F113 N117 L118 F119F113-P115 WeakPolarHBondContact O-CD 3.33Å; P115-N117 VanDerWaalsContact CB-OD1 3.25Å; P115-N117 WeakPolarHBondContact CB-OD1 3.38Å; P115-N117 PolarHBondContact O-N 3.04Å; P115-L118 PolarHBondContact O-N 2.95Å; P115-F119 PolarHBondContact O-N 3.42Å
116D94.4Very high93.4Very high126 Ų12648.4 Ų48.467%0.67426%0.261SS*.Hα-helixtrans-53.9-34.2-176.3-75.9-24.5000113.5L118 F119 N120D116-L118 PolarHBondContact O-N 2.99Å; D116-F119 PolarHBondContact O-N 2.9Å; D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.43Å; D116-N120 PolarHBondContact O-ND2 3.35Å
117N95.3Very high92.6Very high105 Ų10551.7 Ų51.756%0.56128%0.283SS*.Hα-helixtrans-63.7-40178.263.7-7.7000112.2P115 K121P115-N117 VanDerWaalsContact CB-OD1 3.25Å; P115-N117 WeakPolarHBondContact CB-OD1 3.38Å; P115-N117 PolarHBondContact O-N 3.04Å; N117-K121 WeakPolarHBondContact O-CG 3.5Å; N117-K121 PolarHBondContact O-N 3.18Å
118L94.9Very high92.1Very high7 Ų758.1 Ų58.14%0.03731%0.312CS..Hα-helixtrans-75.7-42.7176.4-64-174.5000110.6P83 V88 P115 D116 N120 K121 I122P83-L118 VanDerWaalsContact O-CD1 3.26Å; P83-L118 WeakPolarHBondContact O-CD1 3.47Å; V88-L118 HydrophobicContact CG2-CB 4.4Å; V88-L118 HydrophobicContact CG2-CD1 4.2Å; P115-L118 PolarHBondContact O-N 2.95Å; D116-L118 PolarHBondContact O-N 2.99Å; L118-N120 VanDerWaalsContact C-N 3.33Å; L118-N120 PolarHBondContact O-N 3.03Å; L118-K121 HydrophobicContact CD2-CD 4.5Å; L118-K121 WeakPolarHBondContact O-CB 2.92Å; L118-K121 PolarHBondContact O-N 3.26Å; L118-I122 WeakPolarHBondContact O-CG1 3.17Å; L118-I122 PolarHBondContact O-N 3.37Å; L118-I122 VanDerWaalsContact O-N 3.13Å
119F95.2Very high91.7Very high79 Ų7959 Ų5935%0.34632%0.318SS..Hα-helixtrans-60.3-42.6178-172.4-94.8000112.2P115 D116 K121 I122 K123P115-F119 PolarHBondContact O-N 3.42Å; D116-F119 PolarHBondContact O-N 2.9Å; F119-K121 VanDerWaalsContact C-N 3.33Å; F119-K121 PolarHBondContact O-N 2.84Å; F119-I122 WeakPolarHBondContact O-CB 3.48Å; F119-I122 PolarHBondContact O-N 3.21Å; F119-K123 PolarHBondContact O-N 2.8Å
120N94.6Very high91.5Very high90 Ų9060.4 Ų60.448%0.48133%0.325SS..Hα-helixtrans-64.2-35.5177.6-76.1-43.3000112.6D116 L118 K123 A124D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.43Å; D116-N120 PolarHBondContact O-ND2 3.35Å; L118-N120 VanDerWaalsContact C-N 3.33Å; L118-N120 PolarHBondContact O-N 3.03Å; N120-K123 PolarHBondContact O-N 3.31Å; N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.03Å; N120-A124 VanDerWaalsContact O-N 3.08Å
121K92.9Very high91.4Very high94 Ų9467.6 Ų67.641%0.40935%0.352SS..Hα-helixtrans-62.2-44.5172.1-70.9176.1176.8-1730111.7L92 N117 L118 F119 A124 S125L92-K121 HydrophobicContact CD1-CB 4.2Å; N117-K121 WeakPolarHBondContact O-CG 3.5Å; N117-K121 PolarHBondContact O-N 3.18Å; L118-K121 HydrophobicContact CD2-CD 4.5Å; L118-K121 WeakPolarHBondContact O-CB 2.92Å; L118-K121 PolarHBondContact O-N 3.26Å; F119-K121 VanDerWaalsContact C-N 3.33Å; F119-K121 PolarHBondContact O-N 2.84Å; K121-A124 PolarHBondContact O-N 3.5Å; K121-S125 PolarHBondContact O-N 3.48Å; K121-S125 PolarHBondContact O-OG 3.49Å
122I92.9Very high91.4Very high4 Ų471.5 Ų71.52%0.02137%0.367CS..Hα-helixtrans-61.1-47.4177.6-66.6169.5000111V88 F91 L92 I108 F110 L118 F119 A124 S125 C126 I130V88-I122 HydrophobicContact CG1-CD1 3.79Å; V88-I122 HydrophobicContact CG1-CG1 3.64Å; V88-I122 HydrophobicContact CG2-CD1 4.2Å; F91-I122 HydrophobicContact CD1-CG1 4.42Å; F91-I122 HydrophobicContact CE1-CG1 4.45Å; F91-I122 HydrophobicContact CE1-CG2 4.03Å; L92-I122 HydrophobicContact CD2-CG1 4.39Å; I108-I122 HydrophobicContact CD1-CG2 4.27Å; F110-I122 HydrophobicContact CE2-CD1 4.13Å; F110-I122 HydrophobicContact CZ-CD1 3.63Å; L118-I122 WeakPolarHBondContact O-CG1 3.17Å; L118-I122 PolarHBondContact O-N 3.37Å; L118-I122 VanDerWaalsContact O-N 3.13Å; F119-I122 WeakPolarHBondContact O-CB 3.48Å; F119-I122 PolarHBondContact O-N 3.21Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 2.82Å; I122-S125 PolarHBondContact O-N 2.93Å; I122-C126 PolarHBondContact O-N 3.01Å; I122-I130 HydrophobicContact CG2-CD1 3.36Å
123K91.7Very high91.5Very high135 Ų13573.1 Ų73.159%0.58738%0.379SS*.Hα-helixtrans-60.1-41.2-179.8-176179.8176.5-178.60112.2F119 N120 S127F119-K123 PolarHBondContact O-N 2.8Å; N120-K123 PolarHBondContact O-N 3.31Å; K123-S127 WeakPolarHBondContact O-CB 3.46Å; K123-S127 PolarHBondContact O-OG 3.15Å
124A89.5Confident91.6Very high83 Ų8372.6 Ų72.669%0.68638%0.377SS*.Hα-helixtrans-67.5-41.7-179.200000112.8N120 K121 I122N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.03Å; N120-A124 VanDerWaalsContact O-N 3.08Å; K121-A124 PolarHBondContact O-N 3.5Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 2.82Å
125S84.2Confident91.6Very high81 Ų8175.3 Ų75.357%0.56639%0.388SS*.Hα-helixtrans-96.7-39.4-167.6-58.70000114.5K121 I122K121-S125 PolarHBondContact O-N 3.48Å; K121-S125 PolarHBondContact O-OG 3.49Å; I122-S125 PolarHBondContact O-N 2.93Å
126C82.6Confident91.6Very high4 Ų472.6 Ų72.63%0.02737%0.37CS..Hα-helixtrans-126.18.8-162.3-58.70000115F91 L92 F95 I122 K128 S129 I130F91-C126 HydrophobicContact CE1-CB 3.93Å; F91-C126 HydrophobicContact CZ-CB 4.05Å; L92-C126 HydrophobicContact CD2-CB 4.47Å; L92-C126 VanDerWaalsContact CD2-SG 3.56Å; F95-C126 HydrophobicContact CB-CB 4.25Å; I122-C126 PolarHBondContact O-N 3.01Å; C126-K128 PolarHBondContact O-N 3.4Å; C126-S129 PolarHBondContact O-N 3.16Å; C126-S129 VanDerWaalsContact O-N 3.09Å; C126-I130 HydrophobicContact CB-CD1 4.22Å; C126-I130 WeakPolarHBondContact O-CG1 3.37Å; C126-I130 PolarHBondContact O-N 2.82Å
127S78.9Confident91.5Very high68 Ų6867.4 Ų67.448%0.47634%0.343SS..THydrogen-bonded Turntrans-53.2-31.8-172.151.60000115.7K123K123-S127 WeakPolarHBondContact O-CB 3.46Å; K123-S127 PolarHBondContact O-OG 3.15Å
128K87.3Confident91.5Very high166 Ų16662.4 Ų62.472%0.72232%0.316SS*.THydrogen-bonded Turntrans-72.1-29.3-178.1-63.2-180-177.31740113.8C126 R131C126-K128 PolarHBondContact O-N 3.4Å; K128-R131 PolarHBondContact O-NH1 3.49Å; K128-R131 VanDerWaalsContact O-NH1 3.13Å
129S89.1Confident91.5Very high18 Ų1862.4 Ų62.413%0.12632%0.316CS..THydrogen-bonded Turntrans-88.4-21.5-177.2-58.50000112.4A105 A106 C126A105-S129 WeakPolarHBondContact CA-O 3.39Å; A106-S129 PolarHBondContact N-O 3.26Å; C126-S129 PolarHBondContact O-N 3.16Å; C126-S129 VanDerWaalsContact O-N 3.09Å
130I94.5Very high91.7Very high30 Ų3058.6 Ų58.615%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-77.2127.3-178.9-60.5167.8000109.3F91 A106 I108 I122 C126 R132 C133F91-I130 HydrophobicContact CE1-CD1 4.15Å; F91-I130 HydrophobicContact CZ-CD1 3.88Å; F91-I130 HydrophobicContact CZ-CG1 3.84Å; A106-I130 WeakPolarHBondContact O-CA 3.23Å; I108-I130 HydrophobicContact CD1-CD1 3.72Å; I108-I130 HydrophobicContact CD1-CG1 3.92Å; I108-I130 HydrophobicContact CD1-CG2 4.24Å; I122-I130 HydrophobicContact CG2-CD1 3.36Å; C126-I130 HydrophobicContact CB-CD1 4.22Å; C126-I130 WeakPolarHBondContact O-CG1 3.37Å; C126-I130 PolarHBondContact O-N 2.82Å; I130-R132 WeakPolarHBondContact CG2-O 3.33Å; I130-C133 HydrophobicContact CG2-CB 4.35Å
131R94.6Very high91.8Very high152 Ų15255 Ų5557%0.57428%0.28SS*.EExtended strand (participates in β ladder)trans-100.1-29.8174.8-68.7-69.8178.5-96.20.3112A105 A106 Y107 K128A105-R131 HydrophobicContact CB-CG 3.76Å; A106-R131 PolarHBondContact O-N 2.99Å; Y107-R131 HydrophobicContact CD1-CB 4.27Å; Y107-R131 HydrophobicContact CE1-CB 3.89Å; Y107-R131 HydrophobicContact CE2-CB 4.36Å; K128-R131 PolarHBondContact O-NH1 3.49Å; K128-R131 VanDerWaalsContact O-NH1 3.13Å
132R94.9Very high92Very high81 Ų8150.5 Ų50.531%0.30626%0.26SS..EExtended strand (participates in β ladder)trans-151.5144.6175.6-168172-75.1139.8-16.4110D25 Y107 I108 Y109 I130 K134D25-R132 VanDerWaalsContact O-CZ 3.31Å; D25-R132 PolarHBondContact O-NH1 3.26Å; D25-R132 PolarHBondContact O-NH2 3.24Å; D25-R132 VanDerWaalsContact O-NH2 3.1Å; D25-R132 IonicContact OD1-CZ 3.95Å; D25-R132 IonicContact OD1-NE 2.73Å; D25-R132 IonicContact OD1-NH1 2.94Å; D25-R132 PolarHBondContact OD1-NH1 3.04Å; D25-R132 IonicContact OD1-NH2 3.71Å; D25-R132 PolarHBondContact OD1-NH2 2.71Å; D25-R132 WeakPolarHBondContact OD2-CD 3.47Å; D25-R132 IonicContact OD2-CZ 2.67Å; D25-R132 IonicContact OD2-NE 3.89Å; D25-R132 PolarHBondContact OD2-NE 3.41Å; D25-R132 VanDerWaalsContact OD2-NE 3.14Å; D25-R132 IonicContact OD2-NH1 3.74Å; D25-R132 PolarHBondContact OD2-NH1 2.67Å; D25-R132 IonicContact OD2-NH2 3.97Å; Y107-R132 HydrophobicContact CD1-CB 3.8Å; Y107-R132 HydrophobicContact CE1-CB 4.47Å; I108-R132 PolarHBondContact N-O 2.98Å; Y109-R132 PolarHBondContact OH-NH1 2.93Å; I130-R132 WeakPolarHBondContact CG2-O 3.33Å; R132-K134 HydrophobicContact CG-CB 4.43Å
133C94.9Very high92.2Very high50 Ų5051.8 Ų51.834%0.33827%0.266SS..EExtended strand (participates in β ladder)trans-134.2117.6168.8-169.90000106.3I108 I130I108-C133 CarbonylContact O-C 3.11Å; I108-C133 VanDerWaalsContact O-CA 3.31Å; I108-C133 WeakPolarHBondContact O-CA 3.47Å; I130-C133 HydrophobicContact CG2-CB 4.35Å
134K94.8Very high92.4Very high77 Ų7745.6 Ų45.634%0.33524%0.24SC..EExtended strand (participates in β ladder)trans-142.8149.3-174-171.2175.1-177-178.80110.4I108 Y109 F110 R132I108-K134 PolarHBondContact O-N 2.92Å; Y109-K134 CarbonylContact C-O 3.53Å; Y109-K134 VanDerWaalsContact CA-O 3.27Å; Y109-K134 WeakPolarHBondContact CA-O 2.88Å; Y109-K134 HydrophobicContact CD1-CB 4.01Å; Y109-K134 HydrophobicContact CE1-CB 4.12Å; Y109-K134 HydrophobicContact CE1-CD 4.2Å; F110-K134 PolarHBondContact N-O 3.16Å; R132-K134 HydrophobicContact CG-CB 4.43Å
135E93.4Very high92.7Very high69 Ų6942.6 Ų42.632%0.32221%0.213SC..EExtended strand (participates in β ladder)trans-105.9137.8175.4-60.9170168.200108.7F110 F113 C114F110-E135 HydrophobicContact CB-CG 4.27Å; F113-E135 WeakPolarHBondContact CD1-OE2 3.4Å; C114-E135 PolarHBondContact N-OE1 3.27Å
136I92.1Very high93.3Very high6 Ų639.6 Ų39.63%0.03119%0.191CC..  trans-105.9-17.8-177.767.1158.2000114K17 I18 V22 F80 Y109 F110 I138K17-I136 WeakPolarHBondContact CE-O 3.05Å; I18-I136 HydrophobicContact CG1-CD1 4.47Å; V22-I136 HydrophobicContact CG2-CG2 3.69Å; F80-I136 HydrophobicContact CD2-CD1 4.42Å; F80-I136 HydrophobicContact CE2-CD1 3.25Å; F80-I136 HydrophobicContact CE2-CG1 4.04Å; F80-I136 HydrophobicContact CZ-CD1 3.38Å; Y109-I136 HydrophobicContact CD1-CG2 4.31Å; F110-I136 WeakPolarHBondContact O-CG1 3.47Å; F110-I136 PolarHBondContact O-N 2.9Å; I136-I138 HydrophobicContact CD1-CB 3.87Å; I136-I138 HydrophobicContact CD1-CD1 3.92Å; I136-I138 HydrophobicContact CD1-CG1 3.89Å; I136-I138 HydrophobicContact CG1-CB 4.31Å; I136-I138 HydrophobicContact CG1-CG1 4.25Å
137N92.3Very high94Very high17 Ų1739.4 Ų39.49%0.09119%0.189CC..  trans50.359.9-175.4-50.4109.1000112.7K17 T111 D112 F113 T183 T187 Y218K17-N137 PolarHBondContact NZ-O 3.26Å; T111-N137 CarbonylContact O-C 3.59Å; T111-N137 WeakPolarHBondContact O-CA 3.42Å; T111-N137 PolarHBondContact O-N 3.44Å; T111-N137 VanDerWaalsContact O-N 3.07Å; D112-N137 PolarHBondContact OD1-ND2 2.97Å; F113-N137 VanDerWaalsContact CE2-ND2 3.3Å; F113-N137 WeakPolarHBondContact CE2-ND2 3.48Å; F113-N137 WeakPolarHBondContact CZ-ND2 3.11Å; N137-T183 HydrophobicContact CB-CG2 4.27Å; N137-T183 WeakPolarHBondContact O-CB 3.27Å; N137-T187 PolarHBondContact O-OG1 2.57Å; N137-Y218 HydrophobicContact CB-CE2 4.06Å; N137-Y218 PolarHBondContact OD1-OH 2.97Å
138I95.7Very high94.9Very high0 Ų036.2 Ų36.20%017%0.167CC..  trans-132.698.9168.2-52.5-176.4000107.3V14 K17 I18 L44 T111 I136 F140V14-I138 HydrophobicContact CG1-CD1 4.4Å; V14-I138 HydrophobicContact CG1-CG2 4.21Å; K17-I138 HydrophobicContact CB-CD1 4.1Å; K17-I138 HydrophobicContact CD-CD1 3.79Å; K17-I138 HydrophobicContact CD-CG1 4.1Å; K17-I138 HydrophobicContact CG-CD1 3.93Å; I18-I138 HydrophobicContact CG1-CD1 3.8Å; L44-I138 HydrophobicContact CD1-CG2 4.22Å; L44-I138 HydrophobicContact CD2-CG2 4.03Å; T111-I138 WeakPolarHBondContact CB-O 3.38Å; T111-I138 CarbonylContact O-C 3.57Å; T111-I138 PolarHBondContact O-N 2.85Å; I136-I138 HydrophobicContact CD1-CB 3.87Å; I136-I138 HydrophobicContact CD1-CD1 3.92Å; I136-I138 HydrophobicContact CD1-CG1 3.89Å; I136-I138 HydrophobicContact CG1-CB 4.31Å; I136-I138 HydrophobicContact CG1-CG1 4.25Å; I138-F140 HydrophobicContact CG2-CD1 4.3Å; I138-F140 HydrophobicContact CG2-CE1 4.03Å
139S96.3Very high95.4Very high6 Ų629 Ų294%0.04214%0.137CC..  trans-126.240.4-179.9-166.50000112.4F40 Q180 T183F40-S139 VanDerWaalsContact CZ-C 3.48Å; S139-Q180 WeakPolarHBondContact O-CB 3.37Å; S139-Q180 VanDerWaalsContact O-CD 3.32Å; S139-Q180 VanDerWaalsContact O-CG 3.25Å; S139-Q180 WeakPolarHBondContact O-CG 3.31Å; S139-Q180 WeakPolarHBondContact OG-CG 3.45Å; S139-T183 PolarHBondContact N-OG1 2.84Å
140F97.7Very high95.8Very high0 Ų028.2 Ų28.20%013%0.131CC..SBendtrans-139.1162.3171.269.1-85.4000110.2L10 V14 L44 I138 P142 L150 V184 T187L10-F140 HydrophobicContact CD1-CE2 4.01Å; L10-F140 HydrophobicContact CD1-CZ 4.17Å; L10-F140 HydrophobicContact CD2-CE2 3.83Å; L10-F140 HydrophobicContact CG-CE2 4Å; V14-F140 HydrophobicContact CG2-CE2 3.79Å; V14-F140 HydrophobicContact CG2-CZ 3.56Å; L44-F140 WeakPolarHBondContact CD1-O 3.36Å; I138-F140 HydrophobicContact CG2-CD1 4.3Å; I138-F140 HydrophobicContact CG2-CE1 4.03Å; F140-P142 HydrophobicContact CE2-CB 4.4Å; F140-L150 HydrophobicContact CB-CD2 4.05Å; F140-V184 HydrophobicContact CB-CG2 3.82Å; F140-V184 HydrophobicContact CD1-CB 4.18Å; F140-V184 HydrophobicContact CD1-CG2 3.42Å; F140-V184 VanDerWaalsContact CD1-CG2 3.42Å; F140-V184 HydrophobicContact CD2-CG2 4.12Å; F140-V184 HydrophobicContact CE1-CB 4.28Å; F140-V184 HydrophobicContact CE1-CG2 3.97Å; F140-V184 HydrophobicContact CG-CG2 3.5Å; F140-V184 VanDerWaalsContact CG-CG2 3.5Å; F140-T187 HydrophobicContact CE1-CG2 4.12Å; F140-T187 HydrophobicContact CZ-CG2 3.9Å
141I97.7Very high95.7Very high13 Ų1329.3 Ų29.37%0.06714%0.137CC..EExtended strand (participates in β ladder)trans-102.1123.9176.6-50.6-61000109.8F40 K43 L44 H143 Y148 T149 D151F40-I141 HydrophobicContact CD2-CD1 4.01Å; F40-I141 HydrophobicContact CE2-CD1 3.54Å; F40-I141 HydrophobicContact CE2-CG1 4.09Å; F40-I141 HydrophobicContact CZ-CD1 3.97Å; K43-I141 HydrophobicContact CB-CD1 4.03Å; L44-I141 HydrophobicContact CB-CD1 3.89Å; L44-I141 HydrophobicContact CD1-CD1 4.45Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 3.36Å; I141-Y148 WeakPolarHBondContact O-CA 3.48Å; I141-T149 HydrophobicContact CB-CG2 3.7Å; I141-T149 HydrophobicContact CG1-CG2 4.28Å; I141-T149 HydrophobicContact CG2-CG2 4.31Å; I141-T149 PolarHBondContact N-O 3.31Å; I141-T149 PolarHBondContact O-N 3.2Å; I141-D151 HydrophobicContact CG1-CB 4.2Å
142P97.1Very high95.4Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-77.477.9174.733.7-36000110.9L10 K11 V14 L44 S47 C48 F140 E144L10-P142 HydrophobicContact CB-CB 4.29Å; L10-P142 HydrophobicContact CD2-CB 4.04Å; L10-P142 HydrophobicContact CG-CB 3.82Å; K11-P142 VanDerWaalsContact CE-O 3.27Å; K11-P142 WeakPolarHBondContact CE-O 3.41Å; K11-P142 HydrophobicContact CG-CB 4.05Å; K11-P142 HydrophobicContact CG-CG 4.31Å; K11-P142 VanDerWaalsContact CG-O 3.26Å; K11-P142 WeakPolarHBondContact CG-O 3.26Å; V14-P142 HydrophobicContact CB-CB 4.48Å; V14-P142 HydrophobicContact CB-CG 4.06Å; V14-P142 HydrophobicContact CG1-CG 4.12Å; V14-P142 HydrophobicContact CG2-CB 4.02Å; V14-P142 HydrophobicContact CG2-CG 4Å; L44-P142 HydrophobicContact CD1-CG 4.46Å; S47-P142 PolarHBondContact OG-O 2.89Å; C48-P142 HydrophobicContact CB-CG 4.17Å; F140-P142 HydrophobicContact CE2-CB 4.4Å; P142-E144 PolarHBondContact O-N 3.35Å
143H96.1Very high94.6Very high32 Ų3222.7 Ų22.715%0.14812%0.124CC..EExtended strand (participates in β ladder)trans-58.4-46.5-173.8-174.868.1000112.7K11 I141 V147 T149 D267 I566K11-H143 WeakPolarHBondContact CE-O 3.49Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 3.36Å; H143-V147 PolarHBondContact N-O 3.12Å; H143-T149 HydrophobicContact CB-CG2 4.45Å; H143-D267 IonicContact CE1-OD1 3.14Å; H143-D267 IonicContact CE1-OD2 4Å; H143-D267 PolarHBondContact CE1-OD2 3.03Å; H143-I566 HydrophobicContact CB-CD1 4.3Å; H143-I566 WeakPolarHBondContact CD2-CD1 3.45Å; H143-I566 WeakPolarHBondContact NE2-CD1 3.1Å
144E96.6Very high94.2Very high5 Ų524.1 Ų24.12%0.02313%0.128CC..EExtended strand (participates in β ladder)trans-135.2176.7172.3-55.5-171.4146.100110.8P142 Q146 V147 Q255 E284 R293 M544 Y548P142-E144 PolarHBondContact O-N 3.35Å; E144-Q146 PolarHBondContact O-N 2.83Å; E144-Q146 VanDerWaalsContact O-N 3.15Å; E144-V147 HydrophobicContact CB-CB 3.93Å; E144-V147 HydrophobicContact CB-CG2 4.14Å; E144-V147 HydrophobicContact CG-CB 4.26Å; E144-V147 HydrophobicContact CG-CG2 4.43Å; E144-V147 PolarHBondContact N-O 3.38Å; E144-V147 PolarHBondContact O-N 2.99Å; E144-V147 VanDerWaalsContact O-O 3.12Å; E144-Q255 PolarHBondContact OE1-NE2 3.48Å; E144-E284 WeakPolarHBondContact CB-OE1 3.3Å; E144-R293 IonicContact OE1-CZ 2.91Å; E144-R293 IonicContact OE1-NE 3.61Å; E144-R293 IonicContact OE1-NH1 3.76Å; E144-R293 PolarHBondContact OE1-NH1 3.36Å; E144-R293 IonicContact OE2-CZ 2.97Å; E144-R293 IonicContact OE2-NE 3.06Å; E144-R293 IonicContact OE2-NH1 2.72Å; E144-R293 IonicContact OE2-NH2 3.59Å; E144-M544 VanDerWaalsContact CD-CE 3.46Å; E144-M544 HydrophobicContact CG-CE 4.11Å; E144-Y548 WeakPolarHBondContact CB-OH 3.26Å; E144-Y548 VanDerWaalsContact OE2-CE2 3.26Å; E144-Y548 WeakPolarHBondContact OE2-CE2 3.42Å; E144-Y548 PolarHBondContact OE2-OH 3.35Å
145S95.3Very high94.1Very high19 Ų1920.5 Ų20.513%0.13311%0.112CC..THydrogen-bonded Turntrans-56.2-28.4178.243.50000114.4L10 E284 Y548L10-S145 WeakPolarHBondContact CB-O 3.2Å; L10-S145 PolarHBondContact N-O 3.24Å; S145-E284 WeakPolarHBondContact CB-OE1 3.26Å; S145-E284 PolarHBondContact N-OE1 3.28Å; S145-E284 PolarHBondContact N-OE2 2.84Å; S145-E284 PolarHBondContact OG-OE1 3.5Å; S145-Y548 PolarHBondContact OG-OH 2.99Å
146Q96.8Very high94.2Very high19 Ų1917.3 Ų17.39%0.08910%0.098CC..THydrogen-bonded Turntrans-12611.6175.4-58.7-166.7-72.700113.7E144 Y548 S551 V559 I560 I561E144-Q146 PolarHBondContact O-N 2.83Å; E144-Q146 VanDerWaalsContact O-N 3.15Å; Q146-Y548 HydrophobicContact CB-CD1 4.46Å; Q146-Y548 HydrophobicContact CB-CE1 3.89Å; Q146-Y548 HydrophobicContact CB-CE2 4.35Å; Q146-Y548 HydrophobicContact CG-CD1 4.19Å; Q146-Y548 HydrophobicContact CG-CE1 3.76Å; Q146-Y548 PolarHBondContact N-OH 3.01Å; Q146-S551 PolarHBondContact NE2-OG 3.4Å; Q146-V559 PolarHBondContact NE2-O 3.44Å; Q146-V559 VanDerWaalsContact NE2-O 3.16Å; Q146-I560 WeakPolarHBondContact O-CA 3.48Å; Q146-I561 PolarHBondContact O-N 2.94Å
147V98.4Very high94.3Very high0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-127.1130.3-175.4-173.50000111.4H143 E144 I539 M544 Y548 I561H143-V147 PolarHBondContact N-O 3.12Å; E144-V147 HydrophobicContact CB-CB 3.93Å; E144-V147 HydrophobicContact CB-CG2 4.14Å; E144-V147 HydrophobicContact CG-CB 4.26Å; E144-V147 HydrophobicContact CG-CG2 4.43Å; E144-V147 PolarHBondContact N-O 3.38Å; E144-V147 PolarHBondContact O-N 2.99Å; E144-V147 VanDerWaalsContact O-O 3.12Å; V147-I539 HydrophobicContact CG1-CD1 3.73Å; V147-M544 HydrophobicContact CB-CE 4.19Å; V147-M544 HydrophobicContact CG1-CE 3.95Å; V147-M544 HydrophobicContact CG1-CG 3.98Å; V147-M544 HydrophobicContact CG1-SD 4.19Å; V147-M544 HydrophobicContact CG2-CB 4.04Å; V147-M544 HydrophobicContact CG2-CE 3.87Å; V147-M544 HydrophobicContact CG2-CG 3.89Å; V147-Y548 HydrophobicContact CG2-CE2 4.03Å; V147-I561 VanDerWaalsContact CA-O 3.25Å; V147-I561 WeakPolarHBondContact CA-O 3.43Å; V147-I561 HydrophobicContact CG2-CG2 3.97Å
148Y98.3Very high94.3Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-122.3154.1174.469.3-84.2000113I141 L150 V184 I532 F534 I560 I561 G562 S563I141-Y148 WeakPolarHBondContact O-CA 3.48Å; Y148-L150 HydrophobicContact CD2-CD2 4.25Å; Y148-L150 HydrophobicContact CE2-CD2 4.24Å; Y148-V184 HydrophobicContact CD1-CG1 4.44Å; Y148-V184 HydrophobicContact CD2-CG2 3.8Å; Y148-V184 HydrophobicContact CE1-CG1 4.3Å; Y148-V184 HydrophobicContact CE2-CG1 4.46Å; Y148-V184 HydrophobicContact CE2-CG2 3.81Å; Y148-V184 HydrophobicContact CG-CG2 4.4Å; Y148-I532 HydrophobicContact CE1-CG2 4.09Å; Y148-F534 AromaticContact CE2-CD2 3.81Å; Y148-F534 HydrophobicContact CE2-CD2 3.81Å; Y148-F534 HydrophobicContact CE2-CE2 4.23Å; Y148-F534 AromaticContact CZ-CD2 3.96Å; Y148-F534 WeakPolarHBondContact OH-CD2 3.28Å; Y148-I560 HydrophobicContact CD1-CG2 3.64Å; Y148-I560 HydrophobicContact CE1-CG2 3.91Å; Y148-I561 WeakPolarHBondContact CD1-O 3.42Å; Y148-I561 PolarHBondContact N-O 2.8Å; Y148-G562 WeakPolarHBondContact O-CA 3.25Å; Y148-S563 PolarHBondContact O-N 2.98Å
149T97.9Very high94.1Very high15 Ų1519.9 Ų19.99%0.09211%0.106CC..EExtended strand (participates in β ladder)trans-131.2144.6171.2179.80000110.6I141 H143 D151 S563 T564I141-T149 HydrophobicContact CB-CG2 3.7Å; I141-T149 HydrophobicContact CG1-CG2 4.28Å; I141-T149 HydrophobicContact CG2-CG2 4.31Å; I141-T149 PolarHBondContact N-O 3.31Å; I141-T149 PolarHBondContact O-N 3.2Å; H143-T149 HydrophobicContact CB-CG2 4.45Å; T149-D151 VanDerWaalsContact C-N 3.32Å; T149-D151 PolarHBondContact OG1-N 3.12Å; T149-S563 WeakPolarHBondContact CA-O 3.39Å; T149-T564 PolarHBondContact OG1-O 3.48Å
150L96.4Very high94.1Very high1 Ų120 Ų201%0.00511%0.106CC..  trans-81.5-13.8175-63.7-165.2000113F140 Y148 V152 M177 Q180 I181 F534 S563F140-L150 HydrophobicContact CB-CD2 4.05Å; Y148-L150 HydrophobicContact CD2-CD2 4.25Å; Y148-L150 HydrophobicContact CE2-CD2 4.24Å; L150-V152 VanDerWaalsContact C-N 3.34Å; L150-V152 HydrophobicContact CB-CG2 4.17Å; L150-V152 WeakPolarHBondContact O-CG2 3.24Å; L150-V152 PolarHBondContact O-N 3.27Å; L150-M177 HydrophobicContact CD1-CB 4.1Å; L150-M177 HydrophobicContact CD1-CG 4.09Å; L150-Q180 HydrophobicContact CD1-CB 4.3Å; L150-Q180 HydrophobicContact CD2-CB 3.77Å; L150-Q180 PolarHBondContact O-OE1 3.15Å; L150-I181 HydrophobicContact CD1-CG1 4.12Å; L150-F534 HydrophobicContact CD1-CE2 3.52Å; L150-F534 HydrophobicContact CD1-CZ 3.49Å; L150-F534 VanDerWaalsContact CD1-CZ 3.49Å; L150-F534 HydrophobicContact CD2-CE2 4.48Å; L150-F534 HydrophobicContact CG-CE2 3.76Å; L150-F534 HydrophobicContact CG-CZ 4.17Å; L150-S563 PolarHBondContact N-O 3.4Å
151D91.9Very high93.9Very high53 Ų5320.7 Ų20.728%0.28311%0.111SC..  trans55.346.4-175.1-164.335.8000112.5K43 I141 T149 P153 T564K43-D151 VanDerWaalsContact CD-OD2 3.26Å; K43-D151 WeakPolarHBondContact CD-OD2 3.48Å; K43-D151 IonicContact NZ-OD1 3.78Å; K43-D151 PolarHBondContact NZ-OD1 3.09Å; K43-D151 IonicContact NZ-OD2 3.87Å; K43-D151 PolarHBondContact NZ-OD2 2.88Å; I141-D151 HydrophobicContact CG1-CB 4.2Å; T149-D151 VanDerWaalsContact C-N 3.32Å; T149-D151 PolarHBondContact OG1-N 3.12Å; D151-P153 VanDerWaalsContact C-CD 3.47Å; D151-T564 PolarHBondContact N-O 2.88Å
152V88.9Confident93.5Very high30 Ų3023 Ų2318%0.18213%0.127CC..  trans-123.868.5175.4-165.80000110.3L150 D154 A155 T564L150-V152 VanDerWaalsContact C-N 3.34Å; L150-V152 HydrophobicContact CB-CG2 4.17Å; L150-V152 WeakPolarHBondContact O-CG2 3.24Å; L150-V152 PolarHBondContact O-N 3.27Å; V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.31Å; V152-A155 HydrophobicContact CB-CB 4.27Å; V152-A155 HydrophobicContact CG1-CB 3.91Å; V152-A155 WeakPolarHBondContact O-CB 3.47Å; V152-A155 PolarHBondContact O-N 3.06Å; V152-T564 PolarHBondContact N-O 3.4Å; V152-T564 WeakPolarHBondContact O-CB 3.21Å
153P78.5Confident93Very high64 Ų6425.9 Ų25.942%0.41614%0.142SC..THydrogen-bonded Turntrans-59.6-39-175-23.634.5000113D151 A155 F156D151-P153 VanDerWaalsContact C-CD 3.47Å; P153-A155 PolarHBondContact O-N 3.25Å; P153-F156 PolarHBondContact O-N 3.23Å
154D87.3Confident91.9Very high80 Ų8029.8 Ų29.843%0.42817%0.17SC..THydrogen-bonded Turntrans-58.3-17.8177.4-84.914.7000113.8V152 F156 Y157 Y158 K583V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.31Å; D154-F156 PolarHBondContact O-N 3.34Å; D154-Y157 PolarHBondContact O-N 2.94Å; D154-Y158 HydrophobicContact CB-CD2 4.38Å; D154-Y158 HydrophobicContact CB-CE2 4.37Å; D154-Y158 VanDerWaalsContact O-CD2 3.25Å; D154-Y158 WeakPolarHBondContact O-CD2 3.42Å; D154-Y158 PolarHBondContact O-N 2.92Å; D154-K583 VanDerWaalsContact CG-NZ 3.25Å; D154-K583 IonicContact OD1-NZ 3.56Å; D154-K583 IonicContact OD2-NZ 3.83Å; D154-K583 PolarHBondContact OD2-NZ 3.32Å
155A91.6Very high91Very high1 Ų132.5 Ų32.51%0.00820%0.2CC..Hα-helixtrans-58.4-33.7174.500000112.1V152 P153 Y157 Y158 C159 I173 M177 T564V152-A155 HydrophobicContact CB-CB 4.27Å; V152-A155 HydrophobicContact CG1-CB 3.91Å; V152-A155 WeakPolarHBondContact O-CB 3.47Å; V152-A155 PolarHBondContact O-N 3.06Å; P153-A155 PolarHBondContact O-N 3.25Å; A155-Y157 PolarHBondContact O-N 3.29Å; A155-Y158 PolarHBondContact O-N 3.3Å; A155-C159 WeakPolarHBondContact O-CB 3.26Å; A155-C159 PolarHBondContact O-N 3.48Å; A155-C159 PolarHBondContact O-SG 3.04Å; A155-I173 HydrophobicContact CB-CG2 3.66Å; A155-M177 HydrophobicContact CB-SD 3.98Å; A155-T564 HydrophobicContact CB-CG2 3.68Å
156F94.7Very high90.2Very high3 Ų332 Ų321%0.01320%0.197CC..Hα-helixtrans-56.3-52.2176.4-172.8-90.1000111P153 D154 Y158 C159 Y160 L445 G537 L572 D575 I576 L579P153-F156 PolarHBondContact O-N 3.23Å; D154-F156 PolarHBondContact O-N 3.34Å; F156-Y158 PolarHBondContact O-N 3.35Å; F156-C159 PolarHBondContact O-N 3.42Å; F156-Y160 HydrophobicContact CD1-CD2 4.29Å; F156-Y160 AromaticContact CD2-CD2 3.8Å; F156-Y160 HydrophobicContact CD2-CD2 3.8Å; F156-Y160 AromaticContact CD2-CE2 3.76Å; F156-Y160 HydrophobicContact CD2-CE2 3.76Å; F156-Y160 HydrophobicContact CE1-CD2 4.32Å; F156-Y160 AromaticContact CE2-CD2 3.81Å; F156-Y160 HydrophobicContact CE2-CD2 3.81Å; F156-Y160 AromaticContact CE2-CE2 3.85Å; F156-Y160 HydrophobicContact CE2-CE2 3.85Å; F156-Y160 HydrophobicContact CG-CD2 4.04Å; F156-Y160 HydrophobicContact CG-CE2 4.37Å; F156-Y160 HydrophobicContact CZ-CD2 4.07Å; F156-Y160 WeakPolarHBondContact O-CD2 3.34Å; F156-Y160 PolarHBondContact O-N 2.96Å; F156-L445 HydrophobicContact CE2-CD2 4.27Å; F156-L445 HydrophobicContact CZ-CD1 4.07Å; F156-L445 HydrophobicContact CZ-CD2 4.11Å; F156-G537 WeakPolarHBondContact CD2-O 3.3Å; F156-L572 HydrophobicContact CE2-CD1 3.82Å; F156-L572 HydrophobicContact CZ-CD1 3.89Å; F156-D575 HydrophobicContact CD1-CB 3.7Å; F156-D575 HydrophobicContact CE1-CB 3.88Å; F156-D575 HydrophobicContact CG-CB 4.35Å; F156-I576 HydrophobicContact CE1-CG1 3.87Å; F156-I576 HydrophobicContact CZ-CD1 4.35Å; F156-I576 HydrophobicContact CZ-CG1 3.55Å; F156-L579 HydrophobicContact CD1-CD2 3.88Å; F156-L579 HydrophobicContact CE1-CD1 3.92Å; F156-L579 HydrophobicContact CE1-CD2 3.76Å; F156-L579 HydrophobicContact CE1-CG 4Å; F156-L579 HydrophobicContact CZ-CD1 4.44Å
157Y94.2Very high89.4Confident15 Ų1533.5 Ų33.56%0.05921%0.212CC..Hα-helixtrans-58.9-51.9178.4179.1-89.4000111.9D154 A155 C159 Y160 S161 M578 L579 K581 K583 L586D154-Y157 PolarHBondContact O-N 2.94Å; A155-Y157 PolarHBondContact O-N 3.29Å; Y157-C159 PolarHBondContact O-N 2.84Å; Y157-Y160 PolarHBondContact O-N 3.23Å; Y157-S161 WeakPolarHBondContact O-CA 3.24Å; Y157-S161 WeakPolarHBondContact O-CB 3.49Å; Y157-S161 PolarHBondContact O-N 3.16Å; Y157-M578 WeakPolarHBondContact CE2-O 3.41Å; Y157-L579 HydrophobicContact CD2-CD2 4.47Å; Y157-K581 VanDerWaalsContact CE2-O 3.28Å; Y157-K581 WeakPolarHBondContact CE2-O 3.37Å; Y157-K581 PolarHBondContact OH-O 3.06Å; Y157-K583 HydrophobicContact CD1-CD 3.7Å; Y157-K583 HydrophobicContact CD1-CG 4.03Å; Y157-K583 HydrophobicContact CE1-CB 4.31Å; Y157-K583 HydrophobicContact CE1-CD 3.65Å; Y157-K583 HydrophobicContact CE1-CG 3.64Å; Y157-K583 HydrophobicContact CE2-CG 4.37Å; Y157-K583 HydrophobicContact CG-CD 4.44Å; Y157-K583 PolarHBondContact OH-N 3.17Å; Y157-L586 HydrophobicContact CD2-CD1 4.48Å; Y157-L586 HydrophobicContact CE2-CD1 4.2Å
158Y92.4Very high88.6Confident58 Ų5842.1 Ų42.123%0.22725%0.25CC..Hα-helixtrans-71.3-28.1-175-72.6-75.6000113.9D154 A155 F156 K170 I173 K583D154-Y158 HydrophobicContact CB-CD2 4.38Å; D154-Y158 HydrophobicContact CB-CE2 4.37Å; D154-Y158 VanDerWaalsContact O-CD2 3.25Å; D154-Y158 WeakPolarHBondContact O-CD2 3.42Å; D154-Y158 PolarHBondContact O-N 2.92Å; A155-Y158 PolarHBondContact O-N 3.3Å; F156-Y158 PolarHBondContact O-N 3.35Å; Y158-K170 WeakPolarHBondContact O-CB 3.36Å; Y158-K170 WeakPolarHBondContact O-CD 3.39Å; Y158-K170 WeakPolarHBondContact O-CG 3.18Å; Y158-I173 HydrophobicContact CD1-CD1 4.48Å; Y158-I173 HydrophobicContact CD2-CD1 2.98Å; Y158-I173 HydrophobicContact CD2-CG1 4.45Å; Y158-I173 HydrophobicContact CE2-CD1 3.59Å; Y158-I173 HydrophobicContact CG-CD1 3.49Å; Y158-I173 VanDerWaalsContact CG-CD1 3.49Å; Y158-K583 HydrophobicContact CE1-CD 4.31Å; Y158-K583 HydrophobicContact CE2-CD 4.13Å; Y158-K583 WeakPolarHBondContact OH-CD 3.36Å; Y158-K583 PolarHBondContact OH-NZ 3.47Å
159C93.3Very high88Confident3 Ų343.1 Ų43.12%0.0226%0.259CS..Hα-helixtrans-72.5-35.1177-69.90000112.3A155 F156 Y157 K170 M174 N203 I536A155-C159 WeakPolarHBondContact O-CB 3.26Å; A155-C159 PolarHBondContact O-N 3.48Å; A155-C159 PolarHBondContact O-SG 3.04Å; F156-C159 PolarHBondContact O-N 3.42Å; Y157-C159 PolarHBondContact O-N 2.84Å; C159-K170 PolarHBondContact O-NZ 2.96Å; C159-K170 VanDerWaalsContact O-NZ 3.11Å; C159-M174 HydrophobicContact CB-CE 4.38Å; C159-N203 PolarHBondContact O-ND2 3.09Å; C159-I536 HydrophobicContact CB-CG2 4.18Å
160Y94.8Very high87.6Confident8 Ų844.6 Ų44.63%0.03127%0.265CS..Hα-helixtrans-114.4-12.6-170.3-57-59.1000115.6F156 Y157 L201 D239 R240 Y444 L445 I536F156-Y160 HydrophobicContact CD1-CD2 4.29Å; F156-Y160 AromaticContact CD2-CD2 3.8Å; F156-Y160 HydrophobicContact CD2-CD2 3.8Å; F156-Y160 AromaticContact CD2-CE2 3.76Å; F156-Y160 HydrophobicContact CD2-CE2 3.76Å; F156-Y160 HydrophobicContact CE1-CD2 4.32Å; F156-Y160 AromaticContact CE2-CD2 3.81Å; F156-Y160 HydrophobicContact CE2-CD2 3.81Å; F156-Y160 AromaticContact CE2-CE2 3.85Å; F156-Y160 HydrophobicContact CE2-CE2 3.85Å; F156-Y160 HydrophobicContact CG-CD2 4.04Å; F156-Y160 HydrophobicContact CG-CE2 4.37Å; F156-Y160 HydrophobicContact CZ-CD2 4.07Å; F156-Y160 WeakPolarHBondContact O-CD2 3.34Å; F156-Y160 PolarHBondContact O-N 2.96Å; Y157-Y160 PolarHBondContact O-N 3.23Å; Y160-L201 HydrophobicContact CD1-CD1 4.07Å; Y160-L201 HydrophobicContact CE1-CD1 4.01Å; Y160-D239 WeakPolarHBondContact CE1-OD1 3.48Å; Y160-D239 PolarHBondContact OH-OD1 3.32Å; Y160-R240 PolarHBondContact OH-N 3.24Å; Y160-Y444 WeakPolarHBondContact O-CB 3.44Å; Y160-L445 HydrophobicContact CD1-CD1 4.28Å; Y160-L445 HydrophobicContact CD1-CG 4.11Å; Y160-L445 HydrophobicContact CD2-CD1 4.29Å; Y160-L445 HydrophobicContact CD2-CG 4.36Å; Y160-L445 HydrophobicContact CE1-CG 4.32Å; Y160-L445 HydrophobicContact CG-CD1 3.95Å; Y160-L445 HydrophobicContact CG-CG 4.14Å; Y160-I536 WeakPolarHBondContact OH-CG2 3.5Å; Y160-I536 PolarHBondContact OH-O 3.2Å; Y160-I536 VanDerWaalsContact OH-O 3.08Å
161S93.1Very high87.4Confident15 Ų1548.2 Ų48.211%0.10528%0.284CS..  trans-64.2135.6179.7-176.50000110.4Y157 D163 L579Y157-S161 WeakPolarHBondContact O-CA 3.24Å; Y157-S161 WeakPolarHBondContact O-CB 3.49Å; Y157-S161 PolarHBondContact O-N 3.16Å; S161-D163 PolarHBondContact O-N 3.39Å; S161-D163 WeakPolarHBondContact OG-CB 3.36Å; S161-D163 PolarHBondContact OG-N 3.33Å; S161-L579 WeakPolarHBondContact CB-O 3.32Å; S161-L579 PolarHBondContact OG-O 2.86Å
162P90.8Very high87.4Confident62 Ų6248.6 Ų48.640%0.40330%0.295SS..  trans-75.1-8.4172.935.1-40.5000112.8P164 Y444 L579P162-P164 VanDerWaalsContact O-CD 3.25Å; P162-P164 WeakPolarHBondContact O-CD 3.21Å; P162-Y444 HydrophobicContact CB-CD1 4.06Å; P162-Y444 HydrophobicContact CB-CE1 3.66Å; P162-Y444 HydrophobicContact CG-CD1 4.26Å; P162-Y444 HydrophobicContact CG-CD2 4.37Å; P162-Y444 HydrophobicContact CG-CE1 3.74Å; P162-Y444 HydrophobicContact CG-CE2 3.87Å; P162-L579 WeakPolarHBondContact CD-O 3.42Å
163D85.9Confident87.6Confident60 Ų6048.2 Ų48.232%0.32129%0.291SS..  trans-63.3116.9-175.4179.88.4000111.1S161 G165 S166S161-D163 PolarHBondContact O-N 3.39Å; S161-D163 WeakPolarHBondContact OG-CB 3.36Å; S161-D163 PolarHBondContact OG-N 3.33Å; D163-G165 PolarHBondContact O-N 2.88Å; D163-G165 PolarHBondContact OD1-N 3.3Å; D163-S166 VanDerWaalsContact O-CB 3.31Å; D163-S166 WeakPolarHBondContact O-CB 3.26Å; D163-S166 PolarHBondContact O-N 2.77Å; D163-S166 PolarHBondContact O-OG 2.93Å
164P73.9Confident88.4Confident114 Ų11445.2 Ų45.274%0.7427%0.272SS*.G310 helixtrans-59.6-28.2177.3-22.634.2000113.4P162 S166 A167P162-P164 VanDerWaalsContact O-CD 3.25Å; P162-P164 WeakPolarHBondContact O-CD 3.21Å; P164-S166 PolarHBondContact O-N 3.42Å; P164-A167 WeakPolarHBondContact O-CB 3.17Å; P164-A167 PolarHBondContact O-N 2.73Å
165G76.3Confident88.7Confident63 Ų6345.2 Ų45.265%0.64927%0.269SS*.G310 helixtrans-64.9-22.3176.400000113.3D163 A167D163-G165 PolarHBondContact O-N 2.88Å; D163-G165 PolarHBondContact OD1-N 3.3Å; G165-A167 VanDerWaalsContact C-N 3.34Å
166S78.4Confident88.8Confident9 Ų947 Ų476%0.06328%0.284CS..G310 helixtrans-80.3-11.9-179.779.30000113.8D163 P164 K168 G169 K170D163-S166 VanDerWaalsContact O-CB 3.31Å; D163-S166 WeakPolarHBondContact O-CB 3.26Å; D163-S166 PolarHBondContact O-N 2.77Å; D163-S166 PolarHBondContact O-OG 2.93Å; P164-S166 PolarHBondContact O-N 3.42Å; S166-K168 PolarHBondContact O-N 3.11Å; S166-G169 CarbonylContact O-C 3.55Å; S166-G169 WeakPolarHBondContact O-CA 3.37Å; S166-G169 PolarHBondContact O-N 3.14Å; S166-K170 PolarHBondContact O-N 3.18Å
167A79.9Confident88.9Confident49 Ų4946.9 Ų46.941%0.40528%0.283SS..Hα-helixtrans-59.3-41.1-171.400000113.9P164 G165 G169 K170 D171P164-A167 WeakPolarHBondContact O-CB 3.17Å; P164-A167 PolarHBondContact O-N 2.73Å; G165-A167 VanDerWaalsContact C-N 3.34Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 PolarHBondContact O-N 3.11Å; A167-K170 WeakPolarHBondContact O-CB 3.44Å; A167-K170 PolarHBondContact O-N 3.47Å; A167-D171 PolarHBondContact O-N 3.43Å; A167-D171 VanDerWaalsContact O-N 3.12Å
168K81.4Confident89Confident182 Ų18246.1 Ų46.179%0.79128%0.281SS*.Hα-helixtrans-64.9-37.1174.7-71.2-176.3178.8178.70112S166 A172S166-K168 PolarHBondContact O-N 3.11Å; K168-A172 PolarHBondContact O-N 3.03Å
169G86.1Confident89.2Confident20 Ų2046 Ų4621%0.20628%0.283CS..Hα-helixtrans-66.7-39.4174.900000111.9S166 A167 A172 I173S166-G169 CarbonylContact O-C 3.55Å; S166-G169 WeakPolarHBondContact O-CA 3.37Å; S166-G169 PolarHBondContact O-N 3.14Å; A167-G169 VanDerWaalsContact C-N 3.31Å; A167-G169 PolarHBondContact O-N 3.11Å; G169-A172 PolarHBondContact O-N 3.47Å; G169-I173 WeakPolarHBondContact O-CB 3.38Å; G169-I173 WeakPolarHBondContact O-CG1 3.2Å; G169-I173 PolarHBondContact O-N 3.17Å
170K90.4Very high89.3Confident47 Ų4747 Ų4720%0.20429%0.288CS..Hα-helixtrans-58.3-48.5174.8-177.4174.5178.8162.40112Y158 C159 S166 A167 I173 M174 N203Y158-K170 WeakPolarHBondContact O-CB 3.36Å; Y158-K170 WeakPolarHBondContact O-CD 3.39Å; Y158-K170 WeakPolarHBondContact O-CG 3.18Å; C159-K170 PolarHBondContact O-NZ 2.96Å; C159-K170 VanDerWaalsContact O-NZ 3.11Å; S166-K170 PolarHBondContact O-N 3.18Å; A167-K170 WeakPolarHBondContact O-CB 3.44Å; A167-K170 PolarHBondContact O-N 3.47Å; K170-I173 PolarHBondContact O-N 3.17Å; K170-M174 HydrophobicContact CG-CG 4.43Å; K170-M174 WeakPolarHBondContact O-CB 3.41Å; K170-M174 VanDerWaalsContact O-CG 3.24Å; K170-M174 WeakPolarHBondContact O-CG 3.34Å; K170-M174 PolarHBondContact O-N 3.46Å; K170-N203 WeakPolarHBondContact CE-OD1 3.39Å; K170-N203 PolarHBondContact NZ-OD1 2.96Å
171D91.8Very high89.5Confident77 Ų7746.7 Ų46.741%0.41229%0.287SS..Hα-helixtrans-63.3-44.9179.9-72.6-10.3000112.1A167 I173 M174 E175 K206A167-D171 PolarHBondContact O-N 3.43Å; A167-D171 VanDerWaalsContact O-N 3.12Å; D171-I173 VanDerWaalsContact C-N 3.31Å; D171-I173 PolarHBondContact O-N 3.36Å; D171-M174 PolarHBondContact O-N 2.85Å; D171-E175 WeakPolarHBondContact O-CG 3.36Å; D171-E175 PolarHBondContact O-N 2.7Å; D171-K206 IonicContact OD1-NZ 3.72Å; D171-K206 PolarHBondContact OD1-NZ 3.49Å; D171-K206 IonicContact OD2-NZ 3.99Å
172A91.7Very high89.7Confident61 Ų6146.2 Ų46.250%0.50428%0.284SS..Hα-helixtrans-61.4-39.5176.700000112.4K168 G169 A176K168-A172 PolarHBondContact O-N 3.03Å; G169-A172 PolarHBondContact O-N 3.47Å; A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.92Å
173I93.1Very high89.9Confident22 Ų2243.4 Ų43.411%0.11327%0.265CS..Hα-helixtrans-71.3-39.7177.7-77.2169.5000111.9A155 Y158 G169 K170 D171 E175 A176 M177A155-I173 HydrophobicContact CB-CG2 3.66Å; Y158-I173 HydrophobicContact CD1-CD1 4.48Å; Y158-I173 HydrophobicContact CD2-CD1 2.98Å; Y158-I173 HydrophobicContact CD2-CG1 4.45Å; Y158-I173 HydrophobicContact CE2-CD1 3.59Å; Y158-I173 HydrophobicContact CG-CD1 3.49Å; Y158-I173 VanDerWaalsContact CG-CD1 3.49Å; G169-I173 WeakPolarHBondContact O-CB 3.38Å; G169-I173 WeakPolarHBondContact O-CG1 3.2Å; G169-I173 PolarHBondContact O-N 3.17Å; K170-I173 PolarHBondContact O-N 3.17Å; D171-I173 VanDerWaalsContact C-N 3.31Å; D171-I173 PolarHBondContact O-N 3.36Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 3.31Å; I173-A176 PolarHBondContact O-N 3.31Å; I173-M177 HydrophobicContact CG2-CG 4.2Å; I173-M177 HydrophobicContact CG2-SD 3.69Å; I173-M177 WeakPolarHBondContact O-CB 3.4Å; I173-M177 VanDerWaalsContact O-CG 3.22Å; I173-M177 WeakPolarHBondContact O-CG 3.31Å; I173-M177 PolarHBondContact O-N 3.46Å
174M95.1Very high90.5Very high0 Ų040.6 Ų40.60%025%0.25CC..Hα-helixtrans-62.5-41.2176-72.1-71.3-171.700111.6C159 K170 D171 A178 N203 L207 L210C159-M174 HydrophobicContact CB-CE 4.38Å; K170-M174 HydrophobicContact CG-CG 4.43Å; K170-M174 WeakPolarHBondContact O-CB 3.41Å; K170-M174 VanDerWaalsContact O-CG 3.24Å; K170-M174 WeakPolarHBondContact O-CG 3.34Å; K170-M174 PolarHBondContact O-N 3.46Å; D171-M174 PolarHBondContact O-N 2.85Å; M174-A178 WeakPolarHBondContact O-CB 3.34Å; M174-A178 PolarHBondContact O-N 2.92Å; M174-N203 HydrophobicContact CE-CB 3.66Å; M174-N203 WeakPolarHBondContact CE-OD1 3.48Å; M174-L207 WeakPolarHBondContact O-CD1 3.28Å; M174-L207 HydrophobicContact SD-CB 4.1Å; M174-L207 HydrophobicContact SD-CD1 4.29Å; M174-L210 HydrophobicContact CB-CD1 3.91Å
175E94.3Very high91.5Very high80 Ų8035.1 Ų35.137%0.37422%0.215SC..Hα-helixtrans-61-48.8172.5-76.7-77.1177.100111.4D171 I173 M177 A178 D179 L210 K214D171-E175 WeakPolarHBondContact O-CG 3.36Å; D171-E175 PolarHBondContact O-N 2.7Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 3.31Å; E175-M177 PolarHBondContact O-N 3.41Å; E175-A178 WeakPolarHBondContact O-CB 3.22Å; E175-A178 PolarHBondContact O-N 2.83Å; E175-A178 VanDerWaalsContact O-N 3.12Å; E175-D179 PolarHBondContact O-N 3Å; E175-L210 HydrophobicContact CG-CD1 4.4Å; E175-L210 WeakPolarHBondContact OE1-CD2 3.5Å; E175-K214 WeakPolarHBondContact O-CE 3.34Å; E175-K214 WeakPolarHBondContact OE2-CE 3.2Å; E175-K214 IonicContact OE2-NZ 2.82Å; E175-K214 PolarHBondContact OE2-NZ 3.22Å
176A93.2Very high92.3Very high39 Ų3932.3 Ų32.332%0.32219%0.185SC..Hα-helixtrans-61.1-43.8178.400000112.4A172 I173 A178 D179 Q180A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.92Å; I173-A176 PolarHBondContact O-N 3.31Å; A176-A178 VanDerWaalsContact C-N 3.29Å; A176-A178 PolarHBondContact O-N 3.01Å; A176-D179 PolarHBondContact O-N 3.28Å; A176-Q180 VanDerWaalsContact O-CG 3.27Å; A176-Q180 WeakPolarHBondContact O-CG 3.46Å; A176-Q180 PolarHBondContact O-N 3.33Å
177M96.7Very high93Very high0 Ų032.1 Ų32.10%018%0.184CC..Hα-helixtrans-60.5-41174.7-71.8169.660.600111.1L150 A155 I173 E175 Q180 I181 L207 F534 I536 T564L150-M177 HydrophobicContact CD1-CB 4.1Å; L150-M177 HydrophobicContact CD1-CG 4.09Å; A155-M177 HydrophobicContact CB-SD 3.98Å; I173-M177 HydrophobicContact CG2-CG 4.2Å; I173-M177 HydrophobicContact CG2-SD 3.69Å; I173-M177 WeakPolarHBondContact O-CB 3.4Å; I173-M177 VanDerWaalsContact O-CG 3.22Å; I173-M177 WeakPolarHBondContact O-CG 3.31Å; I173-M177 PolarHBondContact O-N 3.46Å; E175-M177 PolarHBondContact O-N 3.41Å; M177-Q180 PolarHBondContact O-N 3.45Å; M177-I181 WeakPolarHBondContact O-CB 3.38Å; M177-I181 WeakPolarHBondContact O-CD1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.49Å; M177-I181 PolarHBondContact O-N 2.88Å; M177-L207 HydrophobicContact CB-CD1 3.96Å; M177-L207 HydrophobicContact CE-CD2 3.76Å; M177-F534 HydrophobicContact CE-CE1 3.42Å; M177-F534 VanDerWaalsContact CE-CE1 3.42Å; M177-F534 HydrophobicContact CE-CZ 3.63Å; M177-I536 HydrophobicContact CE-CG1 4.26Å; M177-I536 HydrophobicContact CE-CG2 4.28Å; M177-T564 HydrophobicContact CE-CG2 3.6Å; M177-T564 HydrophobicContact CG-CG2 4.33Å; M177-T564 HydrophobicContact SD-CG2 3.9Å
178A97.5Very high93.5Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-65.9-42.8179.200000112.2M174 E175 A176 I181 V182 L207 L210 V211 K214M174-A178 WeakPolarHBondContact O-CB 3.34Å; M174-A178 PolarHBondContact O-N 2.92Å; E175-A178 WeakPolarHBondContact O-CB 3.22Å; E175-A178 PolarHBondContact O-N 2.83Å; E175-A178 VanDerWaalsContact O-N 3.12Å; A176-A178 VanDerWaalsContact C-N 3.29Å; A176-A178 PolarHBondContact O-N 3.01Å; A178-I181 PolarHBondContact O-N 2.9Å; A178-V182 WeakPolarHBondContact O-CG2 3.45Å; A178-V182 PolarHBondContact O-N 3.39Å; A178-V182 VanDerWaalsContact O-N 3.08Å; A178-L207 HydrophobicContact CB-CD1 3.95Å; A178-L210 HydrophobicContact CB-CB 3.67Å; A178-V211 HydrophobicContact CB-CG2 3.72Å; A178-K214 HydrophobicContact CB-CD 3.68Å
179D95.1Very high93.9Very high54 Ų5425.8 Ų25.829%0.28915%0.151SC..Hα-helixtrans-57.2-48.8172.8-74.9-44.1000111E175 A176 I181 V182 T183 K214E175-D179 PolarHBondContact O-N 3Å; A176-D179 PolarHBondContact O-N 3.28Å; D179-I181 PolarHBondContact O-N 3.04Å; D179-V182 WeakPolarHBondContact O-CB 3.37Å; D179-V182 PolarHBondContact O-N 2.91Å; D179-V182 VanDerWaalsContact O-N 3.16Å; D179-T183 WeakPolarHBondContact O-CG2 3.48Å; D179-T183 PolarHBondContact O-N 3.17Å; D179-T183 VanDerWaalsContact O-N 3.11Å; D179-K214 WeakPolarHBondContact OD1-CD 3.26Å; D179-K214 VanDerWaalsContact OD1-CE 3.27Å; D179-K214 WeakPolarHBondContact OD1-CE 3.24Å; D179-K214 IonicContact OD1-NZ 3.11Å; D179-K214 PolarHBondContact OD1-NZ 3.23Å; D179-K214 IonicContact OD2-NZ 2.75Å; D179-K214 PolarHBondContact OD2-NZ 3.29Å
180Q96.9Very high94.1Very high26 Ų2625.7 Ų25.712%0.12115%0.146CC..Hα-helixtrans-66.5-39.6-178.4-65.2-178.1-10.900113S139 L150 A176 M177 V182 T183 V184S139-Q180 WeakPolarHBondContact O-CB 3.37Å; S139-Q180 VanDerWaalsContact O-CD 3.32Å; S139-Q180 VanDerWaalsContact O-CG 3.25Å; S139-Q180 WeakPolarHBondContact O-CG 3.31Å; S139-Q180 WeakPolarHBondContact OG-CG 3.45Å; L150-Q180 HydrophobicContact CD1-CB 4.3Å; L150-Q180 HydrophobicContact CD2-CB 3.77Å; L150-Q180 PolarHBondContact O-OE1 3.15Å; A176-Q180 VanDerWaalsContact O-CG 3.27Å; A176-Q180 WeakPolarHBondContact O-CG 3.46Å; A176-Q180 PolarHBondContact O-N 3.33Å; M177-Q180 PolarHBondContact O-N 3.45Å; Q180-V182 VanDerWaalsContact C-N 3.26Å; Q180-V182 PolarHBondContact O-N 3.45Å; Q180-T183 WeakPolarHBondContact O-CB 3.26Å; Q180-T183 PolarHBondContact O-N 3.01Å; Q180-T183 VanDerWaalsContact O-N 3.08Å; Q180-T183 PolarHBondContact O-OG1 2.57Å; Q180-V184 PolarHBondContact O-N 2.87Å; Q180-V184 VanDerWaalsContact O-N 3.15Å
181I98.1Very high94.2Very high0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-61.6-36.7174.5-69.4163.9000110.9L150 M177 A178 D179 T183 V184 C185 L207 V211 L235 F534L150-I181 HydrophobicContact CD1-CG1 4.12Å; M177-I181 WeakPolarHBondContact O-CB 3.38Å; M177-I181 WeakPolarHBondContact O-CD1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.49Å; M177-I181 PolarHBondContact O-N 2.88Å; A178-I181 PolarHBondContact O-N 2.9Å; D179-I181 PolarHBondContact O-N 3.04Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 3.04Å; I181-V184 WeakPolarHBondContact O-CB 3.14Å; I181-V184 PolarHBondContact O-N 3.15Å; I181-C185 PolarHBondContact O-N 3.27Å; I181-C185 PolarHBondContact O-SG 3.3Å; I181-L207 HydrophobicContact CD1-CD1 4.47Å; I181-L207 HydrophobicContact CD1-CD2 4.03Å; I181-L207 HydrophobicContact CD1-CG 4.42Å; I181-V211 HydrophobicContact CB-CG2 4.16Å; I181-V211 HydrophobicContact CD1-CG2 4.07Å; I181-V211 HydrophobicContact CG2-CG1 3.95Å; I181-V211 HydrophobicContact CG2-CG2 4.07Å; I181-L235 HydrophobicContact CG2-CD2 3.64Å; I181-F534 HydrophobicContact CD1-CD1 3.65Å; I181-F534 HydrophobicContact CD1-CD2 4.04Å; I181-F534 HydrophobicContact CD1-CE1 3.77Å; I181-F534 HydrophobicContact CD1-CE2 4.14Å; I181-F534 HydrophobicContact CD1-CG 3.79Å; I181-F534 HydrophobicContact CD1-CZ 4Å; I181-F534 HydrophobicContact CG1-CD2 4.11Å; I181-F534 HydrophobicContact CG1-CE2 4.2Å; I181-F534 HydrophobicContact CG1-CG 4.29Å; I181-F534 HydrophobicContact CG1-CZ 4.48Å
182V96.8Very high94.2Very high6 Ų620.2 Ų20.24%0.03612%0.119CC..Hα-helixtrans-62.2-40.8173.8171.40000110.5A178 D179 Q180 V184 C185 A186 K214 L215 Y218A178-V182 WeakPolarHBondContact O-CG2 3.45Å; A178-V182 PolarHBondContact O-N 3.39Å; A178-V182 VanDerWaalsContact O-N 3.08Å; D179-V182 WeakPolarHBondContact O-CB 3.37Å; D179-V182 PolarHBondContact O-N 2.91Å; D179-V182 VanDerWaalsContact O-N 3.16Å; Q180-V182 VanDerWaalsContact C-N 3.26Å; Q180-V182 PolarHBondContact O-N 3.45Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.32Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 2.69Å; V182-C185 VanDerWaalsContact O-N 3.14Å; V182-A186 WeakPolarHBondContact O-CB 3.3Å; V182-A186 PolarHBondContact O-N 3.04Å; V182-K214 HydrophobicContact CG2-CB 3.57Å; V182-L215 HydrophobicContact CB-CD2 4.38Å; V182-L215 HydrophobicContact CG1-CD2 4.13Å; V182-L215 HydrophobicContact CG2-CD2 4.11Å; V182-L215 HydrophobicContact CG2-CG 3.97Å; V182-Y218 HydrophobicContact CG1-CD2 4.11Å; V182-Y218 HydrophobicContact CG1-CG 3.93Å
183T95.9Very high94.3Very high3 Ų317.3 Ų17.32%0.01810%0.095CC..Hα-helixtrans-63.3-30.5175.575.20000113.6N137 S139 D179 Q180 I181 T187N137-T183 HydrophobicContact CB-CG2 4.27Å; N137-T183 WeakPolarHBondContact O-CB 3.27Å; S139-T183 PolarHBondContact N-OG1 2.84Å; D179-T183 WeakPolarHBondContact O-CG2 3.48Å; D179-T183 PolarHBondContact O-N 3.17Å; D179-T183 VanDerWaalsContact O-N 3.11Å; Q180-T183 WeakPolarHBondContact O-CB 3.26Å; Q180-T183 PolarHBondContact O-N 3.01Å; Q180-T183 VanDerWaalsContact O-N 3.08Å; Q180-T183 PolarHBondContact O-OG1 2.57Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 3.04Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.29Å; T183-T187 PolarHBondContact O-N 2.79Å; T183-T187 PolarHBondContact O-OG1 3.01Å
184V97.4Very high94.4Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-62.6-51.4171.5177.70000109.6F140 Y148 Q180 I181 V182 A186 T187 L188F140-V184 HydrophobicContact CB-CG2 3.82Å; F140-V184 HydrophobicContact CD1-CB 4.18Å; F140-V184 HydrophobicContact CD1-CG2 3.42Å; F140-V184 VanDerWaalsContact CD1-CG2 3.42Å; F140-V184 HydrophobicContact CD2-CG2 4.12Å; F140-V184 HydrophobicContact CE1-CB 4.28Å; F140-V184 HydrophobicContact CE1-CG2 3.97Å; F140-V184 HydrophobicContact CG-CG2 3.5Å; F140-V184 VanDerWaalsContact CG-CG2 3.5Å; Y148-V184 HydrophobicContact CD1-CG1 4.44Å; Y148-V184 HydrophobicContact CD2-CG2 3.8Å; Y148-V184 HydrophobicContact CE1-CG1 4.3Å; Y148-V184 HydrophobicContact CE2-CG1 4.46Å; Y148-V184 HydrophobicContact CE2-CG2 3.81Å; Y148-V184 HydrophobicContact CG-CG2 4.4Å; Q180-V184 PolarHBondContact O-N 2.87Å; Q180-V184 VanDerWaalsContact O-N 3.15Å; I181-V184 WeakPolarHBondContact O-CB 3.14Å; I181-V184 PolarHBondContact O-N 3.15Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.32Å; V184-A186 PolarHBondContact O-N 2.85Å; V184-T187 PolarHBondContact O-N 2.9Å; V184-T187 VanDerWaalsContact O-N 3.12Å; V184-L188 HydrophobicContact CG1-CD1 3.96Å; V184-L188 WeakPolarHBondContact O-CG 3.08Å; V184-L188 PolarHBondContact O-N 3.34Å
185C95.1Very high94.4Very high0 Ų016.4 Ų16.40%09%0.09CC..Hα-helixtrans-60.1-45.5179.3-58.30000111.4I181 V182 T187 L188 D189 E190 L215I181-C185 PolarHBondContact O-N 3.27Å; I181-C185 PolarHBondContact O-SG 3.3Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 2.69Å; V182-C185 VanDerWaalsContact O-N 3.14Å; C185-T187 VanDerWaalsContact C-N 3.25Å; C185-T187 PolarHBondContact O-N 3.5Å; C185-L188 PolarHBondContact O-N 3.11Å; C185-D189 PolarHBondContact O-N 3.07Å; C185-D189 VanDerWaalsContact O-N 3.16Å; C185-E190 CarbonylContact C-O 3.48Å; C185-E190 WeakPolarHBondContact CB-O 3.3Å; C185-E190 PolarHBondContact O-N 3.22Å; C185-L215 HydrophobicContact CB-CD2 3.75Å
186A92.6Very high94.6Very high4 Ų414.4 Ų14.43%0.0338%0.079CC..Hα-helixtrans-68.7-17.9177.400000114.4K17 V182 V184 Y218K17-A186 PolarHBondContact NZ-O 2.9Å; V182-A186 WeakPolarHBondContact O-CB 3.3Å; V182-A186 PolarHBondContact O-N 3.04Å; V184-A186 PolarHBondContact O-N 2.85Å; A186-Y218 HydrophobicContact CB-CD1 4.16Å; A186-Y218 HydrophobicContact CB-CE1 3.38Å; A186-Y218 HydrophobicContact CB-CE2 4.29Å; A186-Y218 VanDerWaalsContact CB-CZ 3.47Å
187T93.2Very high94.6Very high4 Ų413.5 Ų13.53%0.0257%0.068CC..Hα-helixtrans-89.8-28.6175.6-62.80000112.1V13 V14 K17 N137 F140 T183 V184 C185V13-T187 HydrophobicContact CG1-CG2 4.09Å; V13-T187 WeakPolarHBondContact CG1-O 3.36Å; V14-T187 HydrophobicContact CG2-CG2 4.03Å; K17-T187 HydrophobicContact CD-CG2 3.88Å; K17-T187 PolarHBondContact NZ-OG1 2.69Å; N137-T187 PolarHBondContact O-OG1 2.57Å; F140-T187 HydrophobicContact CE1-CG2 4.12Å; F140-T187 HydrophobicContact CZ-CG2 3.9Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.29Å; T183-T187 PolarHBondContact O-N 2.79Å; T183-T187 PolarHBondContact O-OG1 3.01Å; V184-T187 PolarHBondContact O-N 2.9Å; V184-T187 VanDerWaalsContact O-N 3.12Å; C185-T187 VanDerWaalsContact C-N 3.25Å; C185-T187 PolarHBondContact O-N 3.5Å
188L91.8Very high94.4Very high17 Ų1715.5 Ų15.59%0.0898%0.082CC..THydrogen-bonded Turntrans-81.6-4171.9-65.5172.3000113L10 V184 C185 E190 K530 I532 I560L10-L188 HydrophobicContact CD1-CD2 3.79Å; L10-L188 HydrophobicContact CD1-CG 4.49Å; V184-L188 HydrophobicContact CG1-CD1 3.96Å; V184-L188 WeakPolarHBondContact O-CG 3.08Å; V184-L188 PolarHBondContact O-N 3.34Å; C185-L188 PolarHBondContact O-N 3.11Å; L188-E190 HydrophobicContact CB-CB 4.34Å; L188-E190 HydrophobicContact CB-CG 3.93Å; L188-K530 HydrophobicContact CB-CD 4.34Å; L188-K530 HydrophobicContact CD1-CD 4.48Å; L188-I532 HydrophobicContact CD1-CD1 3.86Å; L188-I532 HydrophobicContact CD1-CG1 4.27Å; L188-I560 HydrophobicContact CD1-CD1 3.62Å; L188-I560 HydrophobicContact CD2-CD1 3.73Å; L188-I560 HydrophobicContact CG-CD1 4.34Å
189D89.8Confident93.8Very high81 Ų8121.7 Ų21.743%0.43311%0.109SC..THydrogen-bonded Turntrans51.955.1-169.5-63.4-41.7000110.2C185 I227C185-D189 PolarHBondContact O-N 3.07Å; C185-D189 VanDerWaalsContact O-N 3.16Å; D189-I227 HydrophobicContact CB-CD1 3.89Å; D189-I227 WeakPolarHBondContact O-CD1 3.47Å
190E90.2Very high92.9Very high19 Ų1922 Ų229%0.08911%0.114CC..  trans-130.9137.1-178.7-70.8-67.2176.500112.2C185 L188 P192 Y219 T231 S233 K530C185-E190 CarbonylContact C-O 3.48Å; C185-E190 WeakPolarHBondContact CB-O 3.3Å; C185-E190 PolarHBondContact O-N 3.22Å; L188-E190 HydrophobicContact CB-CB 4.34Å; L188-E190 HydrophobicContact CB-CG 3.93Å; E190-P192 WeakPolarHBondContact O-CD 3.45Å; E190-Y219 VanDerWaalsContact C-OH 3.23Å; E190-Y219 PolarHBondContact O-OH 2.96Å; E190-T231 VanDerWaalsContact OE2-CB 3.26Å; E190-T231 WeakPolarHBondContact OE2-CB 3.09Å; E190-T231 PolarHBondContact OE2-OG1 3.47Å; E190-S233 VanDerWaalsContact OE2-CB 3.24Å; E190-S233 WeakPolarHBondContact OE2-CB 3.46Å; E190-S233 PolarHBondContact OE2-OG 3.41Å; E190-K530 HydrophobicContact CG-CB 4.5Å; E190-K530 HydrophobicContact CG-CD 3.8Å; E190-K530 WeakPolarHBondContact OE1-CD 3.46Å
191N92Very high92.7Very high9 Ų923 Ų235%0.04812%0.12CC..  trans-116.179.3168.9-173.5-1.3000109.3Y219 I227 G229 K230 T231N191-Y219 HydrophobicContact CB-CD2 3.81Å; N191-Y219 HydrophobicContact CB-CE2 3.51Å; N191-Y219 VanDerWaalsContact CG-CD2 3.46Å; N191-Y219 WeakPolarHBondContact ND2-CD2 3.38Å; N191-I227 HydrophobicContact CB-CG2 3.57Å; N191-G229 WeakPolarHBondContact CB-O 3.38Å; N191-G229 PolarHBondContact ND2-O 2.85Å; N191-K230 CarbonylContact O-C 3.52Å; N191-K230 WeakPolarHBondContact O-CA 3.38Å; N191-K230 WeakPolarHBondContact O-CD 3.3Å; N191-K230 WeakPolarHBondContact OD1-CD 3.49Å; N191-K230 PolarHBondContact OD1-NZ 2.89Å; N191-T231 HydrophobicContact CB-CG2 4.4Å; N191-T231 PolarHBondContact N-OG1 2.91Å; N191-T231 PolarHBondContact O-N 3.27Å; N191-T231 PolarHBondContact O-OG1 3.3Å
192P92.8Very high92.4Very high0 Ų028.3 Ų28.30%015%0.148CC..PPolyproline II helixtrans-73.7155.8-168.429.7-36.2000113E190 V194 L215 K230 S233 L235 I532E190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-V194 PolarHBondContact O-N 3.22Å; P192-L215 HydrophobicContact CG-CD1 4.31Å; P192-K230 WeakPolarHBondContact O-CD 3.39Å; P192-K230 PolarHBondContact O-NZ 2.63Å; P192-S233 WeakPolarHBondContact CA-O 3.44Å; P192-S233 WeakPolarHBondContact CA-OG 3.41Å; P192-S233 WeakPolarHBondContact CB-OG 3.3Å; P192-L235 HydrophobicContact CB-CB 3.91Å; P192-L235 HydrophobicContact CG-CB 3.77Å; P192-I532 HydrophobicContact CG-CD1 4.4Å
193G92.6Very high92.3Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-72.6118162.700000110.6S233 Q234 L235G193-S233 PolarHBondContact N-O 3.13Å; G193-Q234 WeakPolarHBondContact O-CA 3.3Å; G193-L235 PolarHBondContact O-N 2.74Å
194V96.1Very high92.4Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-83.3125.3-177.8-1740000110.5P192 A208 V211 E212 L215 L235 I237 C498P192-V194 PolarHBondContact O-N 3.22Å; V194-A208 HydrophobicContact CG1-CB 3.75Å; V194-V211 HydrophobicContact CG2-CG1 4.16Å; V194-E212 HydrophobicContact CG2-CB 4.36Å; V194-E212 WeakPolarHBondContact CG2-OE2 3.06Å; V194-L215 HydrophobicContact CG2-CD1 3.75Å; V194-L235 HydrophobicContact CG2-CB 4.48Å; V194-L235 HydrophobicContact CG2-CD2 4.21Å; V194-I237 HydrophobicContact CG1-CD1 3.86Å; V194-C498 HydrophobicContact CB-CB 4.23Å; V194-C498 PolarHBondContact O-N 3.45Å
195R95.4Very high92.3Very high3 Ų329.2 Ų29.21%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-124.2155.1171.8-56.8179.874.8174.91.7109.7L235 L236 I237 L490 W495 P496 Y497R195-L235 PolarHBondContact N-O 2.67Å; R195-L236 HydrophobicContact CB-CD2 3.77Å; R195-L236 HydrophobicContact CG-CD2 4.29Å; R195-L236 WeakPolarHBondContact O-CA 3.4Å; R195-I237 PolarHBondContact O-N 3.14Å; R195-L490 PolarHBondContact NH2-O 3.11Å; R195-W495 PolarHBondContact NE-O 2.88Å; R195-W495 PolarHBondContact NH2-O 3.48Å; R195-P496 WeakPolarHBondContact CA-O 3.43Å; R195-Y497 VanDerWaalsContact CD-CE1 3.4Å; R195-Y497 HydrophobicContact CG-CD1 3.51Å; R195-Y497 HydrophobicContact CG-CE1 3.59Å; R195-Y497 HydrophobicContact CG-CG 4.09Å; R195-Y497 PolarHBondContact NH1-OH 3.17Å
196Y96.7Very high92.4Very high38 Ų3832.9 Ų32.915%0.14917%0.171CC..EExtended strand (participates in β ladder)trans-141.2155.8178.760.8-86.7000111.9S205 A208 I237 W495 P496Y196-S205 VanDerWaalsContact CD2-CA 3.45Å; Y196-S205 VanDerWaalsContact CE2-OG 3.26Å; Y196-S205 WeakPolarHBondContact CE2-OG 3.35Å; Y196-S205 PolarHBondContact OH-OG 2.83Å; Y196-A208 HydrophobicContact CD1-CB 3.67Å; Y196-A208 HydrophobicContact CG-CB 3.96Å; Y196-I237 CarbonylContact C-O 3.59Å; Y196-I237 VanDerWaalsContact CA-O 3.23Å; Y196-I237 WeakPolarHBondContact CA-O 3.5Å; Y196-W495 WeakPolarHBondContact O-CA 3.4Å; Y196-P496 HydrophobicContact CD1-CG 4.29Å; Y196-P496 HydrophobicContact CD2-CG 4.01Å; Y196-P496 HydrophobicContact CE1-CB 4.28Å; Y196-P496 HydrophobicContact CE1-CG 3.75Å; Y196-P496 HydrophobicContact CE2-CG 3.44Å; Y196-P496 VanDerWaalsContact CE2-CG 3.44Å; Y196-P496 HydrophobicContact CG-CG 4.42Å; Y196-P496 PolarHBondContact N-O 3.31Å; Y196-P496 WeakPolarHBondContact O-CD 3.33Å
197K95Very high92.6Very high19 Ų1932.7 Ų32.78%0.08317%0.169CC..  trans-75.5125.9170.6-17665.2168.7740110.3K199 I237 I238 E494 W495K197-K199 WeakPolarHBondContact CG-O 3.5Å; K197-K199 PolarHBondContact NZ-O 3.45Å; K197-I237 PolarHBondContact N-O 3.2Å; K197-I238 HydrophobicContact CB-CG2 4.24Å; K197-E494 HydrophobicContact CD-CG 3.8Å; K197-E494 WeakPolarHBondContact CE-OE1 3.49Å; K197-E494 IonicContact NZ-OE1 3.33Å; K197-E494 PolarHBondContact NZ-OE1 3.5Å; K197-W495 HydrophobicContact CB-CE3 4.16Å; K197-W495 HydrophobicContact CB-CH2 3.94Å; K197-W495 HydrophobicContact CB-CZ2 4.43Å; K197-W495 HydrophobicContact CB-CZ3 3.81Å; K197-W495 HydrophobicContact CD-CD2 4.07Å; K197-W495 HydrophobicContact CD-CE3 4.41Å; K197-W495 HydrophobicContact CD-CH2 3.95Å; K197-W495 HydrophobicContact CD-CZ2 3.57Å; K197-W495 HydrophobicContact CD-CZ3 4.37Å; K197-W495 HydrophobicContact CG-CH2 4.38Å; K197-W495 HydrophobicContact CG-CZ2 4.45Å
198S91.3Very high92.8Very high43 Ų4332.5 Ų32.530%0.30117%0.168SC..  trans-79.4-16.5-174.863.90000116.2K493 E494S198-K493 PolarHBondContact OG-O 3.44Å; S198-E494 PolarHBondContact N-O 2.98Å; S198-E494 PolarHBondContact OG-O 2.71Å
199K85.4Confident93.1Very high130 Ų13037.1 Ų37.157%0.56519%0.189SC*.SBendtrans-146.6149.5-175.1-72.6-172.9179.6-178.70110.6K197K197-K199 WeakPolarHBondContact CG-O 3.5Å; K197-K199 PolarHBondContact NZ-O 3.45Å
200P76.3Confident93.5Very high61 Ų6134.7 Ų34.740%0.39618%0.176SC..SBendcis-89.1-28.213.631.2-33.7000115.7
201L91.5Very high93.8Very high46 Ų4633.8 Ų33.824%0.24117%0.172CC..  trans-103169.2-179.6-60.9175.5000111.6Y160 D239 Y444Y160-L201 HydrophobicContact CD1-CD1 4.07Å; Y160-L201 HydrophobicContact CE1-CD1 4.01Å; L201-D239 WeakPolarHBondContact CB-OD2 3.33Å; L201-Y444 WeakPolarHBondContact CD1-O 3.42Å
202D93.1Very high94Very high112 Ų11234.6 Ų34.660%0.59918%0.175SC*.SBendtrans-99.1-4.3-177.966.6-13.4000114.3A204 S205 K206D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.08Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 3.16Å; D202-S205 VanDerWaalsContact O-N 3.08Å; D202-K206 PolarHBondContact O-N 3.28Å
203N94.9Very high94.2Very high2 Ų240.8 Ų40.81%0.01120%0.202CC..Hα-helixtrans-53.8-45.4179.7-66.5-41.1000112.3C159 K170 M174 S205 K206 L207 D239 I536C159-N203 PolarHBondContact O-ND2 3.09Å; K170-N203 WeakPolarHBondContact CE-OD1 3.39Å; K170-N203 PolarHBondContact NZ-OD1 2.96Å; M174-N203 HydrophobicContact CE-CB 3.66Å; M174-N203 WeakPolarHBondContact CE-OD1 3.48Å; N203-S205 VanDerWaalsContact C-N 3.33Å; N203-S205 PolarHBondContact O-N 2.86Å; N203-K206 PolarHBondContact O-N 3.4Å; N203-L207 WeakPolarHBondContact O-CB 2.91Å; N203-L207 PolarHBondContact O-N 3.31Å; N203-D239 VanDerWaalsContact CB-OD2 3.27Å; N203-D239 WeakPolarHBondContact CB-OD2 3.45Å; N203-D239 PolarHBondContact ND2-OD2 3.19Å; N203-I536 HydrophobicContact CB-CD1 3.94Å
204A96.8Very high94.3Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-61.9-40.9179.500000111.9D202 A208 I237 D239 I536D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.08Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.82Å; A204-I237 HydrophobicContact CB-CG2 4.04Å; A204-D239 HydrophobicContact CB-CB 4.44Å; A204-I536 HydrophobicContact CB-CD1 4.41Å
205S96.6Very high94.2Very high25 Ų2542.6 Ų42.618%0.17521%0.21CC..Hα-helixtrans-64.6-44.7175.4-174.70000111.7Y196 D202 N203 A208 Q209Y196-S205 VanDerWaalsContact CD2-CA 3.45Å; Y196-S205 VanDerWaalsContact CE2-OG 3.26Å; Y196-S205 WeakPolarHBondContact CE2-OG 3.35Å; Y196-S205 PolarHBondContact OH-OG 2.83Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 3.16Å; D202-S205 VanDerWaalsContact O-N 3.08Å; N203-S205 VanDerWaalsContact C-N 3.33Å; N203-S205 PolarHBondContact O-N 2.86Å; S205-A208 PolarHBondContact O-N 3.22Å; S205-Q209 WeakPolarHBondContact O-CG 3.34Å; S205-Q209 PolarHBondContact O-N 3.4Å; S205-Q209 VanDerWaalsContact O-N 3.12Å
206K96.4Very high94Very high77 Ų7747.3 Ų47.334%0.33523%0.232SC..Hα-helixtrans-63.7-48.6179.7-176173.8-177.5172.10111.1D171 D202 N203 A208 Q209 L210D171-K206 IonicContact OD1-NZ 3.72Å; D171-K206 PolarHBondContact OD1-NZ 3.49Å; D171-K206 IonicContact OD2-NZ 3.99Å; D202-K206 PolarHBondContact O-N 3.28Å; N203-K206 PolarHBondContact O-N 3.4Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.24Å; K206-Q209 PolarHBondContact O-N 2.99Å; K206-L210 WeakPolarHBondContact O-CG 3.49Å; K206-L210 PolarHBondContact O-N 2.83Å
207L97.6Very high93.8Very high0 Ų048.8 Ų48.80%024%0.242CC..Hα-helixtrans-62-41.4177.9-17762.6000111.5M174 M177 A178 I181 N203 Q209 L210 V211 I237 F534 I536M174-L207 WeakPolarHBondContact O-CD1 3.28Å; M174-L207 HydrophobicContact SD-CB 4.1Å; M174-L207 HydrophobicContact SD-CD1 4.29Å; M177-L207 HydrophobicContact CB-CD1 3.96Å; M177-L207 HydrophobicContact CE-CD2 3.76Å; A178-L207 HydrophobicContact CB-CD1 3.95Å; I181-L207 HydrophobicContact CD1-CD1 4.47Å; I181-L207 HydrophobicContact CD1-CD2 4.03Å; I181-L207 HydrophobicContact CD1-CG 4.42Å; N203-L207 WeakPolarHBondContact O-CB 2.91Å; N203-L207 PolarHBondContact O-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.41Å; L207-L210 PolarHBondContact O-N 3.19Å; L207-V211 HydrophobicContact CD1-CG2 4.29Å; L207-V211 HydrophobicContact CG-CG2 4.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 3.31Å; L207-I237 HydrophobicContact CB-CG2 4.33Å; L207-I237 HydrophobicContact CD2-CG2 3.93Å; L207-I237 HydrophobicContact CG-CD1 4.44Å; L207-I237 HydrophobicContact CG-CG2 4.36Å; L207-F534 HydrophobicContact CD2-CD1 3.95Å; L207-F534 HydrophobicContact CD2-CE1 3.76Å; L207-I536 HydrophobicContact CB-CD1 4.32Å; L207-I536 HydrophobicContact CD2-CD1 3.77Å; L207-I536 HydrophobicContact CD2-CG1 3.81Å
208A97.6Very high93.6Very high0 Ų048.9 Ų48.90%024%0.242CC..Hα-helixtrans-62.7-39.2178.900000113.4V194 Y196 A204 S205 K206 V211 E212 I237 C498V194-A208 HydrophobicContact CG1-CB 3.75Å; Y196-A208 HydrophobicContact CD1-CB 3.67Å; Y196-A208 HydrophobicContact CG-CB 3.96Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.82Å; S205-A208 PolarHBondContact O-N 3.22Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.24Å; A208-V211 PolarHBondContact O-N 3.22Å; A208-E212 WeakPolarHBondContact O-CB 3.27Å; A208-E212 PolarHBondContact O-N 3.29Å; A208-I237 HydrophobicContact CB-CD1 3.79Å; A208-C498 VanDerWaalsContact CB-SG 3.58Å
209Q97.2Very high93.5Very high114 Ų11447.6 Ų47.653%0.53323%0.231SC..Hα-helixtrans-64.9-40.3174.2-70.5171.66.800112.1S205 K206 L207 K213S205-Q209 WeakPolarHBondContact O-CG 3.34Å; S205-Q209 PolarHBondContact O-N 3.4Å; S205-Q209 VanDerWaalsContact O-N 3.12Å; K206-Q209 PolarHBondContact O-N 2.99Å; L207-Q209 PolarHBondContact O-N 3.41Å; Q209-K213 WeakPolarHBondContact O-CB 3.37Å; Q209-K213 PolarHBondContact O-N 2.87Å; Q209-K213 VanDerWaalsContact O-N 3.09Å
210L97.8Very high93.6Very high31 Ų3147.8 Ų47.816%0.16223%0.232CC..Hα-helixtrans-64.6-47176-67.4175.8000111.5M174 E175 A178 K206 L207 K213 K214M174-L210 HydrophobicContact CB-CD1 3.91Å; E175-L210 HydrophobicContact CG-CD1 4.4Å; E175-L210 WeakPolarHBondContact OE1-CD2 3.5Å; A178-L210 HydrophobicContact CB-CB 3.67Å; K206-L210 WeakPolarHBondContact O-CG 3.49Å; K206-L210 PolarHBondContact O-N 2.83Å; L207-L210 PolarHBondContact O-N 3.19Å; L210-K213 PolarHBondContact O-N 2.85Å; L210-K214 WeakPolarHBondContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CG 3.06Å; L210-K214 PolarHBondContact O-N 2.56Å
211V97.9Very high94Very high0 Ų051 Ų510%024%0.244CC..Hα-helixtrans-61.2-45.9177.7172.30000110.8A178 I181 V194 L207 A208 K213 K214 L215 L235 I237A178-V211 HydrophobicContact CB-CG2 3.72Å; I181-V211 HydrophobicContact CB-CG2 4.16Å; I181-V211 HydrophobicContact CD1-CG2 4.07Å; I181-V211 HydrophobicContact CG2-CG1 3.95Å; I181-V211 HydrophobicContact CG2-CG2 4.07Å; V194-V211 HydrophobicContact CG2-CG1 4.16Å; L207-V211 HydrophobicContact CD1-CG2 4.29Å; L207-V211 HydrophobicContact CG-CG2 4.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 3.31Å; A208-V211 PolarHBondContact O-N 3.22Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.03Å; V211-K214 PolarHBondContact O-N 2.87Å; V211-L215 HydrophobicContact CG1-CD1 3.78Å; V211-L215 HydrophobicContact CG1-CG 4.17Å; V211-L215 WeakPolarHBondContact O-CB 3.14Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.06Å; V211-L215 PolarHBondContact O-N 3.22Å; V211-L235 HydrophobicContact CG1-CD2 3.69Å; V211-I237 HydrophobicContact CB-CD1 4.32Å; V211-I237 HydrophobicContact CG2-CD1 4.12Å
212E95.9Very high93.5Very high25 Ų2549.9 Ų49.912%0.11724%0.239CC..Hα-helixtrans-59.7-45.8179.2-178.361.4-164.400111.6V194 A208 L215 E216 K230 C498 S499V194-E212 HydrophobicContact CG2-CB 4.36Å; V194-E212 WeakPolarHBondContact CG2-OE2 3.06Å; A208-E212 WeakPolarHBondContact O-CB 3.27Å; A208-E212 PolarHBondContact O-N 3.29Å; E212-L215 PolarHBondContact O-N 3.49Å; E212-E216 PolarHBondContact O-N 2.75Å; E212-K230 VanDerWaalsContact CD-NZ 3.25Å; E212-K230 WeakPolarHBondContact OE1-CE 3.28Å; E212-K230 IonicContact OE1-NZ 3.01Å; E212-K230 PolarHBondContact OE1-NZ 3.22Å; E212-K230 IonicContact OE2-NZ 3.43Å; E212-K230 PolarHBondContact OE2-NZ 3.15Å; E212-C498 HydrophobicContact CB-CB 3.94Å; E212-C498 HydrophobicContact CG-CB 3.91Å; E212-S499 WeakPolarHBondContact OE1-CB 3.25Å; E212-S499 PolarHBondContact OE1-OG 3.13Å; E212-S499 PolarHBondContact OE2-OG 2.91Å
213K95.9Very high92.3Very high130 Ų13053.8 Ų53.857%0.56525%0.253SS*.Hα-helixtrans-62.1-46.6177.2-176.2-178.7176.6-172.40111.8Q209 L210 V211 E216 D217Q209-K213 WeakPolarHBondContact O-CB 3.37Å; Q209-K213 PolarHBondContact O-N 2.87Å; Q209-K213 VanDerWaalsContact O-N 3.09Å; L210-K213 PolarHBondContact O-N 2.85Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.03Å; K213-E216 WeakPolarHBondContact O-CB 2.91Å; K213-E216 PolarHBondContact O-N 3.47Å; K213-D217 PolarHBondContact O-N 3.37Å
214K95.4Very high91.1Very high38 Ų3858.6 Ų58.617%0.16527%0.274CS..Hα-helixtrans-67.9-34.6-179.9-71.2174.9-176.2-75.20112.6E175 A178 D179 V182 L210 V211 E216 D217 Y218E175-K214 WeakPolarHBondContact O-CE 3.34Å; E175-K214 WeakPolarHBondContact OE2-CE 3.2Å; E175-K214 IonicContact OE2-NZ 2.82Å; E175-K214 PolarHBondContact OE2-NZ 3.22Å; A178-K214 HydrophobicContact CB-CD 3.68Å; D179-K214 WeakPolarHBondContact OD1-CD 3.26Å; D179-K214 VanDerWaalsContact OD1-CE 3.27Å; D179-K214 WeakPolarHBondContact OD1-CE 3.24Å; D179-K214 IonicContact OD1-NZ 3.11Å; D179-K214 PolarHBondContact OD1-NZ 3.23Å; D179-K214 IonicContact OD2-NZ 2.75Å; D179-K214 PolarHBondContact OD2-NZ 3.29Å; V182-K214 HydrophobicContact CG2-CB 3.57Å; L210-K214 WeakPolarHBondContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CG 3.06Å; L210-K214 PolarHBondContact O-N 2.56Å; V211-K214 PolarHBondContact O-N 2.87Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-D217 PolarHBondContact O-N 2.97Å; K214-Y218 VanDerWaalsContact O-CB 3.26Å; K214-Y218 WeakPolarHBondContact O-CB 3.33Å; K214-Y218 PolarHBondContact O-N 3.2Å
215L93.9Very high89.8Confident0 Ų061.6 Ų61.60%030%0.295CS..Hα-helixtrans-62.6-42.7171.5-76.9170.4000111V182 C185 P192 V194 V211 E212 Y218 Y219V182-L215 HydrophobicContact CB-CD2 4.38Å; V182-L215 HydrophobicContact CG1-CD2 4.13Å; V182-L215 HydrophobicContact CG2-CD2 4.11Å; V182-L215 HydrophobicContact CG2-CG 3.97Å; C185-L215 HydrophobicContact CB-CD2 3.75Å; P192-L215 HydrophobicContact CG-CD1 4.31Å; V194-L215 HydrophobicContact CG2-CD1 3.75Å; V211-L215 HydrophobicContact CG1-CD1 3.78Å; V211-L215 HydrophobicContact CG1-CG 4.17Å; V211-L215 WeakPolarHBondContact O-CB 3.14Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.06Å; V211-L215 PolarHBondContact O-N 3.22Å; E212-L215 PolarHBondContact O-N 3.49Å; L215-Y218 PolarHBondContact O-N 3.12Å; L215-Y219 HydrophobicContact CD2-CE2 4.04Å; L215-Y219 WeakPolarHBondContact O-CD2 3.39Å; L215-Y219 PolarHBondContact O-N 3.26Å; L215-Y219 VanDerWaalsContact O-N 3.11Å
216E92.1Very high88.5Confident103 Ų10366.7 Ų66.748%0.48132%0.32SS..Hα-helixtrans-60.9-45.9176.4-167.1-169.8164.600111.3E212 K213 K214 K220E212-E216 PolarHBondContact O-N 2.75Å; K213-E216 WeakPolarHBondContact O-CB 2.91Å; K213-E216 PolarHBondContact O-N 3.47Å; K214-E216 VanDerWaalsContact C-N 3.34Å; E216-K220 HydrophobicContact CG-CD 4.45Å; E216-K220 WeakPolarHBondContact O-CD 3.32Å; E216-K220 WeakPolarHBondContact O-CG 3.02Å; E216-K220 PolarHBondContact O-N 3.2Å; E216-K220 VanDerWaalsContact OE1-CE 3.26Å; E216-K220 WeakPolarHBondContact OE1-CE 3.25Å; E216-K220 IonicContact OE1-NZ 3.48Å; E216-K220 PolarHBondContact OE1-NZ 3.34Å
217D91.8Very high87.5Confident68 Ų6864.1 Ų64.136%0.36431%0.31SS..Hα-helixtrans-68.1-41179-67.9-23.2000112K213 K214 K220 I221K213-D217 PolarHBondContact O-N 3.37Å; K214-D217 PolarHBondContact O-N 2.97Å; D217-K220 PolarHBondContact O-N 2.89Å; D217-K220 IonicContact OD1-NZ 3.19Å; D217-I221 WeakPolarHBondContact O-CG1 3.44Å; D217-I221 PolarHBondContact O-N 3.01Å
218Y91.3Very high86.3Confident21 Ų2171.5 Ų71.58%0.08234%0.342CS..Hα-helixtrans-58.6-55177.7-174.6-94.3000111.9F113 N137 V182 A186 K214 L215 K220 I221 D222F113-Y218 AromaticContact CE2-CD2 3.68Å; F113-Y218 HydrophobicContact CE2-CD2 3.68Å; F113-Y218 AromaticContact CE2-CE2 3.94Å; F113-Y218 HydrophobicContact CE2-CE2 3.94Å; F113-Y218 AromaticContact CZ-CD2 3.57Å; F113-Y218 HydrophobicContact CZ-CD2 3.57Å; F113-Y218 AromaticContact CZ-CE2 3.67Å; F113-Y218 HydrophobicContact CZ-CE2 3.67Å; N137-Y218 HydrophobicContact CB-CE2 4.06Å; N137-Y218 PolarHBondContact OD1-OH 2.97Å; V182-Y218 HydrophobicContact CG1-CD2 4.11Å; V182-Y218 HydrophobicContact CG1-CG 3.93Å; A186-Y218 HydrophobicContact CB-CD1 4.16Å; A186-Y218 HydrophobicContact CB-CE1 3.38Å; A186-Y218 HydrophobicContact CB-CE2 4.29Å; A186-Y218 VanDerWaalsContact CB-CZ 3.47Å; K214-Y218 VanDerWaalsContact O-CB 3.26Å; K214-Y218 WeakPolarHBondContact O-CB 3.33Å; K214-Y218 PolarHBondContact O-N 3.2Å; L215-Y218 PolarHBondContact O-N 3.12Å; Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 2.83Å; Y218-I221 PolarHBondContact O-N 3.45Å; Y218-I221 VanDerWaalsContact O-N 3.07Å; Y218-D222 HydrophobicContact CE1-CB 4.41Å; Y218-D222 PolarHBondContact O-N 2.97Å
219Y88.3Confident85.4Confident16 Ų1673.7 Ų73.76%0.06336%0.364CS..Hα-helixtrans-75.8-11.3-175.6-74.2-63.4000114.1E190 N191 L215 D222 I227E190-Y219 VanDerWaalsContact C-OH 3.23Å; E190-Y219 PolarHBondContact O-OH 2.96Å; N191-Y219 HydrophobicContact CB-CD2 3.81Å; N191-Y219 HydrophobicContact CB-CE2 3.51Å; N191-Y219 VanDerWaalsContact CG-CD2 3.46Å; N191-Y219 WeakPolarHBondContact ND2-CD2 3.38Å; L215-Y219 HydrophobicContact CD2-CE2 4.04Å; L215-Y219 WeakPolarHBondContact O-CD2 3.39Å; L215-Y219 PolarHBondContact O-N 3.26Å; L215-Y219 VanDerWaalsContact O-N 3.11Å; Y219-D222 HydrophobicContact CD1-CB 4.42Å; Y219-I227 HydrophobicContact CD1-CB 4.12Å; Y219-I227 HydrophobicContact CD1-CG2 4.32Å; Y219-I227 WeakPolarHBondContact CD1-O 3.48Å; Y219-I227 HydrophobicContact CE1-CB 3.88Å; Y219-I227 HydrophobicContact CE1-CG2 4.13Å
220K87.2Confident84.9Confident135 Ų13570.5 Ų70.559%0.58735%0.348SS*.Hα-helixtrans-72.3-34.6165.9-80169.2-176.4163.30112.3E216 D217 Y218E216-K220 HydrophobicContact CG-CD 4.45Å; E216-K220 WeakPolarHBondContact O-CD 3.32Å; E216-K220 WeakPolarHBondContact O-CG 3.02Å; E216-K220 PolarHBondContact O-N 3.2Å; E216-K220 VanDerWaalsContact OE1-CE 3.26Å; E216-K220 WeakPolarHBondContact OE1-CE 3.25Å; E216-K220 IonicContact OE1-NZ 3.48Å; E216-K220 PolarHBondContact OE1-NZ 3.34Å; D217-K220 PolarHBondContact O-N 2.89Å; D217-K220 IonicContact OD1-NZ 3.19Å; Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 2.83Å
221I85Confident84.3Confident127 Ų12770.3 Ų70.365%0.65135%0.349SS*.Hα-helixtrans-99.1-21.1-172.6-59.4169.1000111.7D217 Y218 E223D217-I221 WeakPolarHBondContact O-CG1 3.44Å; D217-I221 PolarHBondContact O-N 3.01Å; Y218-I221 PolarHBondContact O-N 3.45Å; Y218-I221 VanDerWaalsContact O-N 3.07Å; I221-E223 PolarHBondContact O-N 3.26Å
222D81.3Confident83.7Confident24 Ų2472.9 Ų72.913%0.12836%0.36CS..  trans-49.8112.5-176.6177.134.5000112.9Y218 Y219 K224 S225Y218-D222 HydrophobicContact CE1-CB 4.41Å; Y218-D222 PolarHBondContact O-N 2.97Å; Y219-D222 HydrophobicContact CD1-CB 4.42Å; D222-K224 PolarHBondContact O-N 3.37Å; D222-K224 WeakPolarHBondContact OD1-CB 3.44Å; D222-K224 PolarHBondContact OD1-N 3.02Å; D222-K224 VanDerWaalsContact OD1-N 3.12Å; D222-S225 PolarHBondContact O-N 2.93Å; D222-S225 VanDerWaalsContact O-N 3.08Å; D222-S225 PolarHBondContact O-OG 3.12Å; D222-S225 PolarHBondContact OD2-N 3.13Å
223E68.4Low83.4Confident193 Ų19371.7 Ų71.790%0.90236%0.355SS*.THydrogen-bonded Turntrans-63.8-27.6-179.4-64.2-172.416300111.8I221 S225I221-E223 PolarHBondContact O-N 3.26Å; E223-S225 PolarHBondContact O-N 3.39Å
224K70.1Confident83.2Confident104 Ų10465.8 Ų65.845%0.45233%0.329SS..THydrogen-bonded Turntrans-67-29.8177.2-63-178.5179.7179.30111.3D222 L226D222-K224 PolarHBondContact O-N 3.37Å; D222-K224 WeakPolarHBondContact OD1-CB 3.44Å; D222-K224 PolarHBondContact OD1-N 3.02Å; D222-K224 VanDerWaalsContact OD1-N 3.12Å; K224-L226 HydrophobicContact CB-CD1 4.15Å; K224-L226 HydrophobicContact CB-CG 4.13Å; K224-L226 HydrophobicContact CD-CD1 4.35Å; K224-L226 PolarHBondContact O-N 2.7Å
225S68.3Low83.3Confident62 Ų6264 Ų6443%0.43432%0.321SS..  trans52.518.2178.4-86.50000114.7D222 E223 I227 K228D222-S225 PolarHBondContact O-N 2.93Å; D222-S225 VanDerWaalsContact O-N 3.08Å; D222-S225 PolarHBondContact O-OG 3.12Å; D222-S225 PolarHBondContact OD2-N 3.13Å; E223-S225 PolarHBondContact O-N 3.39Å; S225-I227 VanDerWaalsContact C-N 3.34Å; S225-K228 VanDerWaalsContact OG-CE 3.25Å; S225-K228 WeakPolarHBondContact OG-CE 3.22Å; S225-K228 PolarHBondContact OG-NZ 3.03Å
226L70.3Confident83.4Confident132 Ų13264 Ų6469%0.69132%0.321SS*.SBendtrans-70.4-34.9-178-69.6170.3000110.8K224K224-L226 HydrophobicContact CB-CD1 4.15Å; K224-L226 HydrophobicContact CB-CG 4.13Å; K224-L226 HydrophobicContact CD-CD1 4.35Å; K224-L226 PolarHBondContact O-N 2.7Å
227I74.3Confident83.7Confident24 Ų2459.1 Ų59.112%0.12330%0.299CS..  trans-128.5109.4-175-57.1175.8000108.6D189 N191 Y219 S225 G229 T231D189-I227 HydrophobicContact CB-CD1 3.89Å; D189-I227 WeakPolarHBondContact O-CD1 3.47Å; N191-I227 HydrophobicContact CB-CG2 3.57Å; Y219-I227 HydrophobicContact CD1-CB 4.12Å; Y219-I227 HydrophobicContact CD1-CG2 4.32Å; Y219-I227 WeakPolarHBondContact CD1-O 3.48Å; Y219-I227 HydrophobicContact CE1-CB 3.88Å; Y219-I227 HydrophobicContact CE1-CG2 4.13Å; S225-I227 VanDerWaalsContact C-N 3.34Å; I227-G229 WeakPolarHBondContact CG2-O 3.39Å; I227-T231 HydrophobicContact CD1-CG2 4.33Å; I227-T231 HydrophobicContact CG2-CG2 3.77Å
228K71.9Confident84Confident155 Ų15555.9 Ų55.967%0.67428%0.281SS*.  trans-110.7-16.2178-65.6-169.6178.2-170.80113.8S225S225-K228 VanDerWaalsContact OG-CE 3.25Å; S225-K228 WeakPolarHBondContact OG-CE 3.22Å; S225-K228 PolarHBondContact OG-NZ 3.03Å
229G80.5Confident84.2Confident45 Ų4555.1 Ų55.146%0.46428%0.279SS..SBendtrans-128.6171.3-178.900000111.3N191 I227 T231N191-G229 WeakPolarHBondContact CB-O 3.38Å; N191-G229 PolarHBondContact ND2-O 2.85Å; I227-G229 WeakPolarHBondContact CG2-O 3.39Å; G229-T231 PolarHBondContact O-N 3.16Å
230K84.9Confident84.6Confident47 Ų4754.4 Ų54.420%0.20428%0.276CS..  trans-58.8128.9177-64.5-62.2-170.5179.10110.6N191 P192 E212 S499N191-K230 CarbonylContact O-C 3.52Å; N191-K230 WeakPolarHBondContact O-CA 3.38Å; N191-K230 WeakPolarHBondContact O-CD 3.3Å; N191-K230 WeakPolarHBondContact OD1-CD 3.49Å; N191-K230 PolarHBondContact OD1-NZ 2.89Å; P192-K230 WeakPolarHBondContact O-CD 3.39Å; P192-K230 PolarHBondContact O-NZ 2.63Å; E212-K230 VanDerWaalsContact CD-NZ 3.25Å; E212-K230 WeakPolarHBondContact OE1-CE 3.28Å; E212-K230 IonicContact OE1-NZ 3.01Å; E212-K230 PolarHBondContact OE1-NZ 3.22Å; E212-K230 IonicContact OE2-NZ 3.43Å; E212-K230 PolarHBondContact OE2-NZ 3.15Å; K230-S499 VanDerWaalsContact CE-OG 3.25Å; K230-S499 WeakPolarHBondContact CE-OG 3.25Å
231T86.5Confident84.9Confident28 Ų2848.4 Ų48.417%0.17225%0.253CS..  trans-83.717317553.30000110.3E190 N191 I227 G229 S233E190-T231 VanDerWaalsContact OE2-CB 3.26Å; E190-T231 WeakPolarHBondContact OE2-CB 3.09Å; E190-T231 PolarHBondContact OE2-OG1 3.47Å; N191-T231 HydrophobicContact CB-CG2 4.4Å; N191-T231 PolarHBondContact N-OG1 2.91Å; N191-T231 PolarHBondContact O-N 3.27Å; N191-T231 PolarHBondContact O-OG1 3.3Å; I227-T231 HydrophobicContact CD1-CG2 4.33Å; I227-T231 HydrophobicContact CG2-CG2 3.77Å; G229-T231 PolarHBondContact O-N 3.16Å; T231-S233 PolarHBondContact O-N 3.05Å; T231-S233 PolarHBondContact OG1-OG 3.3Å
232H84.1Confident85.4Confident54 Ų5443.3 Ų43.325%0.2523%0.226CC..SBendtrans-77.450.4174.7-73.5-76000111.7A503 S529H232-A503 PolarHBondContact ND1-O 3.36Å; H232-S529 PolarHBondContact O-OG 2.85Å
233S89.5Confident86.1Confident0 Ų042.4 Ų42.40%022%0.221CC..  trans-131.6156.8176.958.80000111.3E190 P192 G193 T231 K530E190-S233 VanDerWaalsContact OE2-CB 3.24Å; E190-S233 WeakPolarHBondContact OE2-CB 3.46Å; E190-S233 PolarHBondContact OE2-OG 3.41Å; P192-S233 WeakPolarHBondContact CA-O 3.44Å; P192-S233 WeakPolarHBondContact CA-OG 3.41Å; P192-S233 WeakPolarHBondContact CB-OG 3.3Å; G193-S233 PolarHBondContact N-O 3.13Å; T231-S233 PolarHBondContact O-N 3.05Å; T231-S233 PolarHBondContact OG1-OG 3.3Å; S233-K530 VanDerWaalsContact CA-O 3.26Å; S233-K530 WeakPolarHBondContact CA-O 3.39Å; S233-K530 WeakPolarHBondContact CB-O 3.46Å
234Q92.2Very high87.4Confident6 Ų634 Ų343%0.02818%0.183CC..EExtended strand (participates in β ladder)trans-124.1143.5177.4-62.3-168.38.100110.2G193 V504 K530 L531 I532G193-Q234 WeakPolarHBondContact O-CA 3.3Å; Q234-V504 HydrophobicContact CG-CG2 3.97Å; Q234-K530 PolarHBondContact N-O 3.22Å; Q234-L531 HydrophobicContact CB-CD1 3.98Å; Q234-I532 PolarHBondContact O-N 3Å
235L96.9Very high88.7Confident0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-114.3117.5169.4171.361000108.5I181 P192 G193 V194 R195 V211 I237 I532 F534I181-L235 HydrophobicContact CG2-CD2 3.64Å; P192-L235 HydrophobicContact CB-CB 3.91Å; P192-L235 HydrophobicContact CG-CB 3.77Å; G193-L235 PolarHBondContact O-N 2.74Å; V194-L235 HydrophobicContact CG2-CB 4.48Å; V194-L235 HydrophobicContact CG2-CD2 4.21Å; R195-L235 PolarHBondContact N-O 2.67Å; V211-L235 HydrophobicContact CG1-CD2 3.69Å; L235-I237 HydrophobicContact CD1-CG1 4.48Å; L235-I237 HydrophobicContact CD2-CD1 4.25Å; L235-I237 HydrophobicContact CD2-CG1 4.47Å; L235-I237 HydrophobicContact CG-CD1 4.44Å; L235-I237 HydrophobicContact CG-CG1 4.19Å; L235-I532 CarbonylContact C-O 3.59Å; L235-I532 VanDerWaalsContact CA-O 3.28Å; L235-I532 WeakPolarHBondContact CA-O 3.34Å; L235-I532 HydrophobicContact CB-CB 4.5Å; L235-I532 HydrophobicContact CD1-CB 3.84Å; L235-I532 HydrophobicContact CD1-CG2 3.59Å; L235-F534 HydrophobicContact CD1-CB 4.33Å
236L97.8Very high90.1Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-100.2123.4175.2-55.1-174.4000110.1R195 I481 A485 L490 L531 I532 V533 F534R195-L236 HydrophobicContact CB-CD2 3.77Å; R195-L236 HydrophobicContact CG-CD2 4.29Å; R195-L236 WeakPolarHBondContact O-CA 3.4Å; L236-I481 HydrophobicContact CD1-CG2 3.87Å; L236-A485 HydrophobicContact CD1-CB 3.91Å; L236-L490 HydrophobicContact CD1-CD2 4.5Å; L236-L490 HydrophobicContact CD2-CD2 4.33Å; L236-L531 HydrophobicContact CD1-CD1 3.99Å; L236-L531 HydrophobicContact CG-CD1 3.93Å; L236-I532 PolarHBondContact N-O 3Å; L236-V533 HydrophobicContact CD1-CG2 4.48Å; L236-F534 PolarHBondContact O-N 3.37Å
237I98.3Very high91.4Very high0 Ų020.9 Ų20.90%012%0.115CC..EExtended strand (participates in β ladder)trans-109.2125.3175.5-64.2167.2000109.8V194 R195 Y196 K197 A204 L207 A208 V211 L235 F534 I536V194-I237 HydrophobicContact CG1-CD1 3.86Å; R195-I237 PolarHBondContact O-N 3.14Å; Y196-I237 CarbonylContact C-O 3.59Å; Y196-I237 VanDerWaalsContact CA-O 3.23Å; Y196-I237 WeakPolarHBondContact CA-O 3.5Å; K197-I237 PolarHBondContact N-O 3.2Å; A204-I237 HydrophobicContact CB-CG2 4.04Å; L207-I237 HydrophobicContact CB-CG2 4.33Å; L207-I237 HydrophobicContact CD2-CG2 3.93Å; L207-I237 HydrophobicContact CG-CD1 4.44Å; L207-I237 HydrophobicContact CG-CG2 4.36Å; A208-I237 HydrophobicContact CB-CD1 3.79Å; V211-I237 HydrophobicContact CB-CD1 4.32Å; V211-I237 HydrophobicContact CG2-CD1 4.12Å; L235-I237 HydrophobicContact CD1-CG1 4.48Å; L235-I237 HydrophobicContact CD2-CD1 4.25Å; L235-I237 HydrophobicContact CD2-CG1 4.47Å; L235-I237 HydrophobicContact CG-CD1 4.44Å; L235-I237 HydrophobicContact CG-CG1 4.19Å; I237-F534 WeakPolarHBondContact CA-O 3.37Å; I237-F534 HydrophobicContact CG1-CB 4.38Å; I237-I536 HydrophobicContact CG2-CD1 4.24Å; I237-I536 HydrophobicContact CG2-CG1 4.45Å
238I97.3Very high92.6Very high0 Ų019.8 Ų19.80%011%0.109CC..EExtended strand (participates in β ladder)trans-132.7143.5-170.3-45.4174.4000109.4K197 F242 I478 I481 W495 V533 F534 V535 I536K197-I238 HydrophobicContact CB-CG2 4.24Å; I238-F242 HydrophobicContact CG2-CB 3.66Å; I238-F242 HydrophobicContact CG2-CD1 3.59Å; I238-F242 HydrophobicContact CG2-CD2 4.02Å; I238-F242 HydrophobicContact CG2-CE1 4.22Å; I238-F242 HydrophobicContact CG2-CG 3.45Å; I238-F242 VanDerWaalsContact CG2-CG 3.45Å; I238-I478 HydrophobicContact CD1-CD1 3.31Å; I238-I481 HydrophobicContact CD1-CD1 4.47Å; I238-I481 HydrophobicContact CD1-CG2 4.49Å; I238-W495 HydrophobicContact CD1-CH2 3.6Å; I238-W495 HydrophobicContact CD1-CZ3 3.98Å; I238-W495 HydrophobicContact CG1-CH2 3.62Å; I238-W495 HydrophobicContact CG1-CZ3 3.64Å; I238-W495 HydrophobicContact CG2-CH2 4.26Å; I238-V533 HydrophobicContact CD1-CG1 4.15Å; I238-F534 PolarHBondContact N-O 3.49Å; I238-V535 CarbonylContact O-C 3.56Å; I238-V535 WeakPolarHBondContact O-CA 3.48Å; I238-I536 PolarHBondContact O-N 3.3Å
239D95.8Very high93.8Very high5 Ų512.6 Ų12.63%0.0278%0.078CC..EExtended strand (participates in β ladder)trans-92.2141.8173.2-159.2-37000110.8Y160 L201 N203 A204 G241 F242Y160-D239 WeakPolarHBondContact CE1-OD1 3.48Å; Y160-D239 PolarHBondContact OH-OD1 3.32Å; L201-D239 WeakPolarHBondContact CB-OD2 3.33Å; N203-D239 VanDerWaalsContact CB-OD2 3.27Å; N203-D239 WeakPolarHBondContact CB-OD2 3.45Å; N203-D239 PolarHBondContact ND2-OD2 3.19Å; A204-D239 HydrophobicContact CB-CB 4.44Å; D239-G241 PolarHBondContact O-N 3.38Å; D239-F242 WeakPolarHBondContact O-CB 3.31Å; D239-F242 VanDerWaalsContact O-CD1 3.22Å; D239-F242 WeakPolarHBondContact O-CD1 3.24Å; D239-F242 PolarHBondContact O-N 3.24Å
240R95.3Very high94.6Very high1 Ų110.7 Ų10.70%0.0046%0.057CC..G310 helixtrans-50.5-32.6-173.6-165.354.6-95.6177.9-8.5114.9Y160 F242 D243 L445 I536 G538 E543Y160-R240 PolarHBondContact OH-N 3.24Å; R240-F242 PolarHBondContact O-N 3.19Å; R240-D243 PolarHBondContact NH2-O 3.14Å; R240-D243 PolarHBondContact O-N 3.12Å; R240-L445 HydrophobicContact CB-CD2 4.18Å; R240-L445 HydrophobicContact CG-CD2 4.05Å; R240-I536 VanDerWaalsContact CB-O 3.32Å; R240-I536 WeakPolarHBondContact CB-O 3.36Å; R240-I536 PolarHBondContact N-O 2.73Å; R240-G538 VanDerWaalsContact CD-O 3.29Å; R240-G538 WeakPolarHBondContact CD-O 3.31Å; R240-G538 PolarHBondContact NH1-O 2.71Å; R240-E543 IonicContact CZ-OE1 3.92Å; R240-E543 IonicContact CZ-OE2 2.79Å; R240-E543 VanDerWaalsContact NH1-CD 3.34Å; R240-E543 IonicContact NH1-OE1 2.67Å; R240-E543 PolarHBondContact NH1-OE1 2.55Å; R240-E543 VanDerWaalsContact NH1-OE1 3.14Å; R240-E543 IonicContact NH1-OE2 3.17Å; R240-E543 PolarHBondContact NH1-OE2 3.28Å; R240-E543 IonicContact NH2-OE1 3.95Å; R240-E543 PolarHBondContact NH2-OE1 3.12Å; R240-E543 IonicContact NH2-OE2 3.94Å
241G94.4Very high95.2Very high10 Ų109.1 Ų9.110%0.1035%0.05CC..G310 helixtrans-62.1-8.3178.900000115.3D239 D243 L445D239-G241 PolarHBondContact O-N 3.38Å; G241-D243 VanDerWaalsContact C-N 3.31Å; G241-D243 PolarHBondContact O-N 2.98Å; G241-L445 WeakPolarHBondContact CA-O 3.27Å
242F94.8Very high95.7Very high20 Ų208 Ų89%0.0884%0.043CC..G310 helixtrans-64-32.7178.386.6-74.3000113.9I238 D239 R240 F477 I478 I481 V535 E543I238-F242 HydrophobicContact CG2-CB 3.66Å; I238-F242 HydrophobicContact CG2-CD1 3.59Å; I238-F242 HydrophobicContact CG2-CD2 4.02Å; I238-F242 HydrophobicContact CG2-CE1 4.22Å; I238-F242 HydrophobicContact CG2-CG 3.45Å; I238-F242 VanDerWaalsContact CG2-CG 3.45Å; D239-F242 WeakPolarHBondContact O-CB 3.31Å; D239-F242 VanDerWaalsContact O-CD1 3.22Å; D239-F242 WeakPolarHBondContact O-CD1 3.24Å; D239-F242 PolarHBondContact O-N 3.24Å; R240-F242 PolarHBondContact O-N 3.19Å; F242-F477 AromaticContact CD2-CD1 3.93Å; F242-F477 HydrophobicContact CD2-CD1 3.93Å; F242-F477 HydrophobicContact CE2-CD1 4.43Å; F242-I478 HydrophobicContact CE2-CB 4.04Å; F242-I478 HydrophobicContact CE2-CD1 4.02Å; F242-I478 HydrophobicContact CZ-CB 4.1Å; F242-I478 HydrophobicContact CZ-CD1 4.11Å; F242-I481 HydrophobicContact CD2-CD1 3.81Å; F242-I481 HydrophobicContact CE2-CD1 3.94Å; F242-V535 HydrophobicContact CD1-CG1 4.46Å; F242-V535 HydrophobicContact CE1-CG1 3.9Å; F242-V535 HydrophobicContact CE1-CG2 4.35Å; F242-E543 WeakPolarHBondContact CZ-OE1 3.36Å
243D96Very high96.3Very high5 Ų56 Ų63%0.0274%0.035CC..  trans-146.885180-174.5-2.7000109.7R240 G241 V245 S246 F477R240-D243 PolarHBondContact NH2-O 3.14Å; R240-D243 PolarHBondContact O-N 3.12Å; G241-D243 VanDerWaalsContact C-N 3.31Å; G241-D243 PolarHBondContact O-N 2.98Å; D243-V245 VanDerWaalsContact C-N 3.31Å; D243-V245 PolarHBondContact OD1-N 3.19Å; D243-S246 PolarHBondContact OD1-N 2.87Å; D243-S246 VanDerWaalsContact OD1-N 3.09Å; D243-S246 PolarHBondContact OD1-OG 2.85Å; D243-S246 WeakPolarHBondContact OD2-CB 3.45Å; D243-S246 PolarHBondContact OD2-OG 2.97Å; D243-F477 HydrophobicContact CB-CB 4.12Å; D243-F477 PolarHBondContact OD2-N 3.42Å
244P96.6Very high96.7Very high17 Ų176 Ų611%0.114%0.035CC..SBendtrans-75.3-23176.431.7-36.2000112.4T247 F413 W442 V447P244-T247 PolarHBondContact O-N 3.5Å; P244-T247 PolarHBondContact O-OG1 2.81Å; P244-F413 HydrophobicContact CB-CD1 4.48Å; P244-F413 HydrophobicContact CB-CD2 4.08Å; P244-F413 HydrophobicContact CB-CE1 4.1Å; P244-F413 HydrophobicContact CB-CE2 3.64Å; P244-F413 HydrophobicContact CB-CG 4.49Å; P244-F413 HydrophobicContact CB-CZ 3.66Å; P244-F413 HydrophobicContact CG-CD1 4.22Å; P244-F413 HydrophobicContact CG-CD2 4.09Å; P244-F413 HydrophobicContact CG-CE1 4.3Å; P244-F413 HydrophobicContact CG-CE2 4.16Å; P244-F413 HydrophobicContact CG-CG 4.13Å; P244-F413 HydrophobicContact CG-CZ 4.26Å; P244-W442 HydrophobicContact CB-CE3 3.89Å; P244-W442 HydrophobicContact CB-CH2 4.25Å; P244-W442 HydrophobicContact CB-CZ3 3.38Å; P244-V447 HydrophobicContact CB-CG1 4.21Å; P244-V447 HydrophobicContact CB-CG2 4.05Å; P244-V447 HydrophobicContact CG-CG1 3.92Å; P244-V447 HydrophobicContact CG-CG2 4.14Å
245V97.6Very high97Very high15 Ų155.9 Ų5.99%0.0913%0.034CC..G310 helixtrans-68.3-47.8-173.9174.70000111.1D243 T247 V248 L249 A373 L410 F413 W474D243-V245 VanDerWaalsContact C-N 3.31Å; D243-V245 PolarHBondContact OD1-N 3.19Å; V245-T247 PolarHBondContact O-N 3.46Å; V245-V248 WeakPolarHBondContact O-CG2 3.22Å; V245-V248 PolarHBondContact O-N 3.05Å; V245-L249 HydrophobicContact CG1-CD1 3.64Å; V245-L249 HydrophobicContact CG1-CG 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 3.41Å; V245-A373 HydrophobicContact CG1-CB 3.74Å; V245-L410 HydrophobicContact CB-CD2 4.47Å; V245-L410 HydrophobicContact CG1-CD2 3.8Å; V245-F413 HydrophobicContact CG2-CB 4.03Å; V245-F413 HydrophobicContact CG2-CD2 4.02Å; V245-F413 HydrophobicContact CG2-CG 4.42Å; V245-W474 HydrophobicContact CB-CH2 3.82Å; V245-W474 HydrophobicContact CB-CZ2 3.56Å; V245-W474 HydrophobicContact CG1-CD2 3.84Å; V245-W474 HydrophobicContact CG1-CE3 4.01Å; V245-W474 HydrophobicContact CG1-CH2 3.67Å; V245-W474 HydrophobicContact CG1-CZ2 3.47Å; V245-W474 VanDerWaalsContact CG1-CZ2 3.47Å; V245-W474 HydrophobicContact CG1-CZ3 3.93Å; V245-W474 HydrophobicContact CG2-CH2 4.14Å; V245-W474 HydrophobicContact CG2-CZ2 4.36Å
246S97.8Very high97.1Very high3 Ų36.2 Ų6.22%0.0214%0.037CC..G310 helixtrans-59.9-19.1-178.7-650000114.4D243 W474 P476D243-S246 PolarHBondContact OD1-N 2.87Å; D243-S246 VanDerWaalsContact OD1-N 3.09Å; D243-S246 PolarHBondContact OD1-OG 2.85Å; D243-S246 WeakPolarHBondContact OD2-CB 3.45Å; D243-S246 PolarHBondContact OD2-OG 2.97Å; S246-W474 PolarHBondContact OG-NE1 3.46Å; S246-P476 VanDerWaalsContact OG-CA 3.28Å; S246-P476 WeakPolarHBondContact OG-CA 2.91Å; S246-P476 WeakPolarHBondContact OG-CB 3.45Å
247T97.9Very high97.1Very high4 Ų46.2 Ų6.23%0.0254%0.037CC..G310 helixtrans-87.6-18.5-176.372.20000114.7P244 V245 W442 T540 L567 L572P244-T247 PolarHBondContact O-N 3.5Å; P244-T247 PolarHBondContact O-OG1 2.81Å; V245-T247 PolarHBondContact O-N 3.46Å; T247-W442 VanDerWaalsContact OG1-CH2 3.31Å; T247-W442 WeakPolarHBondContact OG1-CH2 3.4Å; T247-T540 HydrophobicContact CG2-CG2 3.78Å; T247-L567 HydrophobicContact CG2-CD1 4.39Å; T247-L572 HydrophobicContact CG2-CD2 4.09Å; T247-L572 VanDerWaalsContact OG1-CD2 3.27Å; T247-L572 WeakPolarHBondContact OG1-CD2 3.25Å
248V98Very high97.1Very high0 Ų06.2 Ų6.20%04%0.037CC..THydrogen-bonded Turntrans-114.6-9.9-176.7-63.20000113V245 R406 L409 L410 F413 W442V245-V248 WeakPolarHBondContact O-CG2 3.22Å; V245-V248 PolarHBondContact O-N 3.05Å; V248-R406 HydrophobicContact CB-CB 4.37Å; V248-R406 HydrophobicContact CB-CG 4.23Å; V248-R406 VanDerWaalsContact O-CZ 3.31Å; V248-R406 PolarHBondContact O-NE 3.45Å; V248-R406 PolarHBondContact O-NH2 3.04Å; V248-L409 HydrophobicContact CG1-CD1 4.06Å; V248-L410 HydrophobicContact CG2-CD2 3.67Å; V248-L410 HydrophobicContact CG2-CG 3.86Å; V248-F413 HydrophobicContact CG2-CE2 4.12Å; V248-W442 HydrophobicContact CG1-CH2 3.98Å; V248-W442 HydrophobicContact CG1-CZ2 3.73Å
249L97.4Very high97.1Very high5 Ų57 Ų73%0.0264%0.04CC..SBendtrans-70.7140.4178.9-81.5173.3000112.8V245 E251 E369 A373 R406 L410 W474V245-L249 HydrophobicContact CG1-CD1 3.64Å; V245-L249 HydrophobicContact CG1-CG 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 3.41Å; L249-E251 PolarHBondContact O-N 2.88Å; L249-E369 HydrophobicContact CD2-CB 3.79Å; L249-A373 HydrophobicContact CD1-CB 4.12Å; L249-A373 HydrophobicContact CD2-CB 4.06Å; L249-R406 VanDerWaalsContact C-NH2 3.26Å; L249-R406 PolarHBondContact O-NH2 3.23Å; L249-L410 HydrophobicContact CD2-CD1 3.73Å; L249-L410 HydrophobicContact CD2-CD2 3.98Å; L249-L410 HydrophobicContact CG-CD2 4.1Å; L249-W474 HydrophobicContact CD1-CB 3.66Å; L249-W474 HydrophobicContact CD1-CD2 3.85Å; L249-W474 HydrophobicContact CD1-CG 3.27Å
250H97.8Very high97.2Very high4 Ų47.2 Ų7.22%0.0194%0.041CC..  trans-73.3106.2165.4-74.895.2000110D260 I362 L365 E369 D403 R406H250-D260 IonicContact CD2-OD2 3.17Å; H250-D260 PolarHBondContact CD2-OD2 2.95Å; H250-D260 VanDerWaalsContact CD2-OD2 3.22Å; H250-D260 IonicContact CG-OD2 3.23Å; H250-D260 IonicContact NE2-OD2 3.01Å; H250-I362 HydrophobicContact CB-CG2 4.22Å; H250-L365 WeakPolarHBondContact CE1-CD2 3.35Å; H250-E369 WeakPolarHBondContact CB-OE2 3.35Å; H250-E369 IonicContact CE1-OE1 3.14Å; H250-E369 PolarHBondContact CE1-OE1 3.5Å; H250-E369 IonicContact CG-OE1 3.5Å; H250-E369 IonicContact CG-OE2 2.73Å; H250-E369 PolarHBondContact N-OE2 3.16Å; H250-E369 VanDerWaalsContact ND1-CD 3.31Å; H250-E369 IonicContact ND1-OE1 3.6Å; H250-E369 PolarHBondContact ND1-OE1 3.07Å; H250-E369 IonicContact ND1-OE2 3.41Å; H250-E369 PolarHBondContact ND1-OE2 3.18Å; H250-D403 IonicContact CE1-OD1 2.87Å; H250-D403 PolarHBondContact CE1-OD1 2.85Å; H250-D403 VanDerWaalsContact CE1-OD1 3.27Å; H250-D403 IonicContact NE2-OD1 3.58Å; H250-D403 PolarHBondContact NE2-OD1 2.94Å; H250-R406 PolarHBondContact CD2-NH2 2.86Å; H250-R406 PolarHBondContact CE1-NE 3.28Å; H250-R406 PolarHBondContact CE1-NH1 2.92Å; H250-R406 VanDerWaalsContact CE1-NH1 3.28Å; H250-R406 VanDerWaalsContact CG-NH2 3.32Å; H250-R406 PolarHBondContact ND1-NH2 3.45Å; H250-R406 VanDerWaalsContact NE2-CZ 3.3Å; H250-R406 PolarHBondContact NE2-NH1 3.24Å
251E96.6Very high97.3Very high15 Ų157.8 Ų7.87%0.075%0.045CC..  trans-88.7142.1179.4-86.8-84.1-173.900111.9L249 A256 M257 S542 R545L249-E251 PolarHBondContact O-N 2.88Å; E251-A256 HydrophobicContact CB-CB 3.59Å; E251-A256 HydrophobicContact CG-CB 4.42Å; E251-M257 WeakPolarHBondContact O-CA 3.49Å; E251-M257 VanDerWaalsContact O-CB 3.22Å; E251-M257 WeakPolarHBondContact O-CB 3.24Å; E251-S542 WeakPolarHBondContact OE1-CB 3.43Å; E251-R545 IonicContact OE1-NH1 3.69Å; E251-R545 IonicContact OE1-NH2 2.73Å; E251-R545 IonicContact OE2-NH1 3.34Å; E251-R545 PolarHBondContact OE2-NH1 2.68Å
252L97.3Very high97.4Very high4 Ų48 Ų82%0.0214%0.043CC..  trans-110.210.2-175.2-54.7-176.8000113.4M257 H296 I297 F358 L471 S472L252-M257 HydrophobicContact CD2-CE 4.44Å; L252-M257 HydrophobicContact CD2-SD 4.38Å; L252-H296 WeakPolarHBondContact CB-NE2 3.37Å; L252-I297 HydrophobicContact CB-CG2 4.31Å; L252-I297 PolarHBondContact O-N 3.23Å; L252-F358 HydrophobicContact CD1-CE2 4.04Å; L252-F358 HydrophobicContact CD1-CZ 4.29Å; L252-F358 HydrophobicContact CD2-CD2 3.85Å; L252-F358 HydrophobicContact CD2-CE2 3.56Å; L252-F358 HydrophobicContact CD2-CZ 4.48Å; L252-F358 HydrophobicContact CG-CE2 4.49Å; L252-L471 HydrophobicContact CD1-CB 3.65Å; L252-L471 HydrophobicContact CD1-CD1 4.44Å; L252-S472 WeakPolarHBondContact CB-OG 3.25Å
253T97.6Very high97.4Very high13 Ų1311.8 Ų11.88%0.087%0.07CC..BIsolated β-bridgetrans-80143.7164.853.10000110.3Q255 A256 M257 R295 R545T253-Q255 PolarHBondContact O-N 2.8Å; T253-A256 PolarHBondContact O-N 2.89Å; T253-M257 VanDerWaalsContact O-CB 3.24Å; T253-M257 WeakPolarHBondContact O-CB 3.47Å; T253-M257 PolarHBondContact O-N 3.21Å; T253-R295 WeakPolarHBondContact CA-O 3.25Å; T253-R545 PolarHBondContact OG1-NH1 3.46Å
254F98.1Very high97.4Very high0 Ų012.2 Ų12.20%07%0.072CC..Hα-helixtrans-58.4-46.1-158.2-172.5-139.5000114.4A258 W289 I292 R293 R295 I297 V300 H347 L350 A351F254-A258 WeakPolarHBondContact O-CB 3.44Å; F254-A258 PolarHBondContact O-N 3.12Å; F254-W289 HydrophobicContact CD1-CE3 4.18Å; F254-W289 AromaticContact CD1-CZ3 3.69Å; F254-W289 HydrophobicContact CD1-CZ3 3.69Å; F254-W289 HydrophobicContact CE1-CE3 4.04Å; F254-W289 AromaticContact CE1-CZ3 3.69Å; F254-W289 HydrophobicContact CE1-CZ3 3.69Å; F254-I292 HydrophobicContact CD1-CB 4.47Å; F254-I292 HydrophobicContact CD1-CD1 3.92Å; F254-I292 HydrophobicContact CD1-CG1 3.77Å; F254-I292 HydrophobicContact CE1-CD1 3.53Å; F254-I292 HydrophobicContact CE1-CG1 3.9Å; F254-R293 PolarHBondContact N-O 3.05Å; F254-R295 PolarHBondContact N-O 3.41Å; F254-I297 HydrophobicContact CD2-CD1 3.83Å; F254-I297 HydrophobicContact CE2-CD1 4.17Å; F254-V300 HydrophobicContact CB-CG2 4Å; F254-V300 HydrophobicContact CD1-CG1 4.13Å; F254-V300 HydrophobicContact CD1-CG2 4.44Å; F254-V300 HydrophobicContact CD2-CG1 4.33Å; F254-V300 HydrophobicContact CE1-CG1 4.17Å; F254-V300 HydrophobicContact CE2-CG1 4.38Å; F254-V300 HydrophobicContact CG-CG1 4.2Å; F254-V300 HydrophobicContact CG-CG2 4.21Å; F254-V300 HydrophobicContact CZ-CG1 4.27Å; F254-H347 AromaticContact CE1-ND1 3.94Å; F254-L350 HydrophobicContact CE1-CD2 4.07Å; F254-L350 HydrophobicContact CE2-CD2 4.17Å; F254-L350 HydrophobicContact CE2-CG 4.01Å; F254-L350 HydrophobicContact CZ-CB 4.07Å; F254-L350 HydrophobicContact CZ-CD2 3.59Å; F254-L350 HydrophobicContact CZ-CG 3.78Å; F254-A351 HydrophobicContact CE2-CB 3.88Å; F254-A351 HydrophobicContact CZ-CB 4.18Å
255Q98.4Very high97.1Very high2 Ų218 Ų181%0.00910%0.098CC..Hα-helixtrans-65.4-51.8176.6-179.1178.130.100112.2E144 T253 M257 A258 Y259 W289 R293 H294 Y541E144-Q255 PolarHBondContact OE1-NE2 3.48Å; T253-Q255 PolarHBondContact O-N 2.8Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 3.38Å; Q255-A258 PolarHBondContact O-N 3.17Å; Q255-Y259 HydrophobicContact CG-CD2 4.08Å; Q255-Y259 HydrophobicContact CG-CE2 4.06Å; Q255-Y259 VanDerWaalsContact O-CD2 3.28Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.08Å; Q255-Y259 PolarHBondContact O-N 2.94Å; Q255-Y259 VanDerWaalsContact O-N 3.07Å; Q255-W289 HydrophobicContact CB-CH2 3.85Å; Q255-W289 HydrophobicContact CB-CZ2 3.95Å; Q255-W289 HydrophobicContact CG-CH2 4.06Å; Q255-W289 HydrophobicContact CG-CZ2 3.77Å; Q255-R293 HydrophobicContact CB-CB 4.02Å; Q255-R293 WeakPolarHBondContact CB-O 3.41Å; Q255-R293 PolarHBondContact N-O 2.76Å; Q255-H294 PolarHBondContact OE1-CE1 2.96Å; Q255-H294 VanDerWaalsContact OE1-CE1 3.27Å; Q255-Y541 HydrophobicContact CG-CD1 3.56Å; Q255-Y541 HydrophobicContact CG-CE1 4.03Å; Q255-Y541 HydrophobicContact CG-CG 4.18Å
256A98.1Very high96.7Very high8 Ų824.2 Ų24.27%0.06613%0.131CC..Hα-helixtrans-59.3-43.5-17900000111.8E251 T253 D260E251-A256 HydrophobicContact CB-CB 3.59Å; E251-A256 HydrophobicContact CG-CB 4.42Å; T253-A256 PolarHBondContact O-N 2.89Å; A256-D260 WeakPolarHBondContact O-CB 3.37Å; A256-D260 PolarHBondContact O-N 2.93Å; A256-D260 VanDerWaalsContact O-N 3.11Å
257M98.1Very high96.5Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-63.4-44.8177.1-170.6-177.6-178.600112.1E251 L252 T253 Q255 D260 L261 I297 C354 F358E251-M257 WeakPolarHBondContact O-CA 3.49Å; E251-M257 VanDerWaalsContact O-CB 3.22Å; E251-M257 WeakPolarHBondContact O-CB 3.24Å; L252-M257 HydrophobicContact CD2-CE 4.44Å; L252-M257 HydrophobicContact CD2-SD 4.38Å; T253-M257 VanDerWaalsContact O-CB 3.24Å; T253-M257 WeakPolarHBondContact O-CB 3.47Å; T253-M257 PolarHBondContact O-N 3.21Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 3.38Å; M257-D260 PolarHBondContact O-N 2.83Å; M257-L261 HydrophobicContact CE-CD1 3.63Å; M257-L261 HydrophobicContact CG-CD1 3.69Å; M257-L261 HydrophobicContact CG-CG 4.28Å; M257-L261 WeakPolarHBondContact O-CB 3.31Å; M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 2.91Å; M257-I297 HydrophobicContact SD-CB 3.83Å; M257-I297 HydrophobicContact SD-CD1 4.42Å; M257-I297 HydrophobicContact SD-CG1 3.89Å; M257-I297 HydrophobicContact SD-CG2 3.96Å; M257-C354 HydrophobicContact CE-CB 3.91Å; M257-C354 WeakPolarHBondContact CE-O 3.31Å; M257-C354 HydrophobicContact CG-CB 4.44Å; M257-C354 HydrophobicContact SD-CB 4.07Å; M257-F358 HydrophobicContact CE-CB 3.51Å; M257-F358 HydrophobicContact CE-CD2 3.99Å; M257-F358 HydrophobicContact CE-CG 3.91Å
258A98.1Very high96.4Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-62.9-47.2-178.700000111.8F254 Q255 D260 L262 I264 L350F254-A258 WeakPolarHBondContact O-CB 3.44Å; F254-A258 PolarHBondContact O-N 3.12Å; Q255-A258 PolarHBondContact O-N 3.17Å; A258-D260 PolarHBondContact O-N 2.94Å; A258-L262 WeakPolarHBondContact O-CA 3.43Å; A258-L262 VanDerWaalsContact O-CB 3.24Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 PolarHBondContact O-N 3.45Å; A258-I264 HydrophobicContact CB-CD1 3.93Å; A258-L350 HydrophobicContact CB-CD1 4.17Å; A258-L350 HydrophobicContact CB-CD2 4.48Å; A258-L350 HydrophobicContact CB-CG 4.45Å
259Y98.1Very high96.4Very high15 Ų1527.6 Ų27.66%0.05915%0.149CC..Hα-helixtrans-75.1-21.6-178.3-78.5-102.2000113.8Q255 I264 D267 L282 W289 Y541 T568Q255-Y259 HydrophobicContact CG-CD2 4.08Å; Q255-Y259 HydrophobicContact CG-CE2 4.06Å; Q255-Y259 VanDerWaalsContact O-CD2 3.28Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.08Å; Q255-Y259 PolarHBondContact O-N 2.94Å; Q255-Y259 VanDerWaalsContact O-N 3.07Å; Y259-I264 HydrophobicContact CD1-CB 4.13Å; Y259-I264 HydrophobicContact CD1-CG2 3.97Å; Y259-I264 HydrophobicContact CD2-CD1 4.22Å; Y259-I264 HydrophobicContact CE1-CB 4.28Å; Y259-I264 HydrophobicContact CE1-CG2 3.59Å; Y259-I264 HydrophobicContact CE2-CD1 4.4Å; Y259-I264 HydrophobicContact CE2-CG2 4.48Å; Y259-I264 HydrophobicContact CG-CD1 4.44Å; Y259-D267 WeakPolarHBondContact CE1-OD1 3.46Å; Y259-D267 PolarHBondContact OH-OD1 3.03Å; Y259-L282 HydrophobicContact CE2-CD1 3.99Å; Y259-W289 HydrophobicContact CE2-CH2 4.35Å; Y259-W289 HydrophobicContact CE2-CZ2 4.17Å; Y259-Y541 VanDerWaalsContact CB-CE2 3.44Å; Y259-Y541 HydrophobicContact CD1-CE1 4.44Å; Y259-Y541 AromaticContact CD1-CE2 3.84Å; Y259-Y541 HydrophobicContact CD1-CE2 3.84Å; Y259-Y541 AromaticContact CD1-CZ 3.53Å; Y259-Y541 WeakPolarHBondContact CD1-OH 2.93Å; Y259-Y541 HydrophobicContact CD2-CE1 4.33Å; Y259-Y541 HydrophobicContact CD2-CE2 4.34Å; Y259-Y541 AromaticContact CE1-CZ 3.87Å; Y259-Y541 WeakPolarHBondContact CE1-OH 3.5Å; Y259-Y541 HydrophobicContact CE2-CE1 4.43Å; Y259-Y541 HydrophobicContact CG-CD2 4.36Å; Y259-Y541 HydrophobicContact CG-CE1 4.3Å; Y259-Y541 AromaticContact CG-CE2 3.63Å; Y259-Y541 HydrophobicContact CG-CE2 3.63Å; Y259-Y541 AromaticContact CG-CZ 3.59Å; Y259-T568 WeakPolarHBondContact O-CG2 3.46Å
260D97.6Very high96.2Very high10 Ų1033.7 Ų33.75%0.05318%0.175CC..Hα-helixtrans-78.5-49.5171.9-174.815.6000111.2H250 A256 M257 A258 R406H250-D260 IonicContact CD2-OD2 3.17Å; H250-D260 PolarHBondContact CD2-OD2 2.95Å; H250-D260 VanDerWaalsContact CD2-OD2 3.22Å; H250-D260 IonicContact CG-OD2 3.23Å; H250-D260 IonicContact NE2-OD2 3.01Å; A256-D260 WeakPolarHBondContact O-CB 3.37Å; A256-D260 PolarHBondContact O-N 2.93Å; A256-D260 VanDerWaalsContact O-N 3.11Å; M257-D260 PolarHBondContact O-N 2.83Å; A258-D260 PolarHBondContact O-N 2.94Å; D260-R406 IonicContact OD1-CZ 2.62Å; D260-R406 IonicContact OD1-NH1 3.51Å; D260-R406 PolarHBondContact OD1-NH1 3.45Å; D260-R406 IonicContact OD1-NH2 3.86Å; D260-R406 IonicContact OD2-CZ 2.68Å; D260-R406 IonicContact OD2-NH1 3.85Å; D260-R406 PolarHBondContact OD2-NH1 2.92Å; D260-R406 IonicContact OD2-NH2 3.85Å; D260-R406 PolarHBondContact OD2-NH2 3.22Å
261L96.3Very high95.9Very high14 Ų1434.2 Ų34.27%0.07318%0.177CC..Hα-helixtrans-85.2-33.5-170.3-60.4-174.6000113.3M257 K357 I362M257-L261 HydrophobicContact CE-CD1 3.63Å; M257-L261 HydrophobicContact CG-CD1 3.69Å; M257-L261 HydrophobicContact CG-CG 4.28Å; M257-L261 WeakPolarHBondContact O-CB 3.31Å; M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 2.91Å; L261-K357 HydrophobicContact CB-CD 4.14Å; L261-K357 HydrophobicContact CD1-CB 4.32Å; L261-K357 WeakPolarHBondContact O-CD 3.47Å; L261-K357 WeakPolarHBondContact O-CE 3.26Å; L261-K357 PolarHBondContact O-NZ 2.87Å; L261-I362 HydrophobicContact CD2-CG1 4.16Å
262L96.6Very high95.4Very high14 Ų1440.2 Ų40.27%0.07320%0.203CC..SBendtrans-105.8151.3-172-54.7178.2000111.9A258 I264 Y269 L350 D353 K357A258-L262 WeakPolarHBondContact O-CA 3.43Å; A258-L262 VanDerWaalsContact O-CB 3.24Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 PolarHBondContact O-N 3.45Å; L262-I264 HydrophobicContact CB-CD1 4.33Å; L262-I264 HydrophobicContact CB-CG1 4.13Å; L262-I264 PolarHBondContact O-N 3.16Å; L262-Y269 HydrophobicContact CD1-CE2 4.16Å; L262-L350 HydrophobicContact CD1-CD1 3.45Å; L262-L350 VanDerWaalsContact CD1-CD1 3.45Å; L262-D353 HydrophobicContact CD1-CB 3.97Å; L262-D353 HydrophobicContact CD2-CB 3.9Å; L262-K357 HydrophobicContact CD2-CD 3.88Å
263P95.3Very high94.5Very high100 Ų10040.3 Ų40.365%0.64920%0.204SC*.  trans-77.474.517833.4-35.1000110.5
264I96.4Very high93.4Very high13 Ų1345.3 Ų45.37%0.06723%0.23CC..  trans-98.3116176.1-57.9174.4000108.3A258 Y259 L262 Y269 L282 L350A258-I264 HydrophobicContact CB-CD1 3.93Å; Y259-I264 HydrophobicContact CD1-CB 4.13Å; Y259-I264 HydrophobicContact CD1-CG2 3.97Å; Y259-I264 HydrophobicContact CD2-CD1 4.22Å; Y259-I264 HydrophobicContact CE1-CB 4.28Å; Y259-I264 HydrophobicContact CE1-CG2 3.59Å; Y259-I264 HydrophobicContact CE2-CD1 4.4Å; Y259-I264 HydrophobicContact CE2-CG2 4.48Å; Y259-I264 HydrophobicContact CG-CD1 4.44Å; L262-I264 HydrophobicContact CB-CD1 4.33Å; L262-I264 HydrophobicContact CB-CG1 4.13Å; L262-I264 PolarHBondContact O-N 3.16Å; I264-Y269 HydrophobicContact CG1-CD2 4.43Å; I264-L282 HydrophobicContact CD1-CD1 3.96Å; I264-L282 HydrophobicContact CG2-CD1 4.43Å; I264-L350 HydrophobicContact CD1-CD1 4.23Å
265E91.2Very high92.4Very high140 Ų14049 Ų4965%0.65427%0.269SS*.BIsolated β-bridgetrans-118.7132.8178.7-67.2-179.9-174.600109.3D267 T268E265-D267 PolarHBondContact O-N 3.29Å; E265-T268 VanDerWaalsContact O-CB 3.31Å; E265-T268 WeakPolarHBondContact O-CB 3.32Å; E265-T268 PolarHBondContact O-N 3.01Å
266N88.8Confident91.7Very high145 Ų14556.2 Ų56.278%0.77530%0.3SS*.THydrogen-bonded Turntrans48.447-178.2-54.9-35000112.3T268N266-T268 PolarHBondContact O-N 2.98Å; N266-T268 PolarHBondContact O-OG1 2.57Å
267D93.9Very high91.3Very high40 Ų4063 Ų6321%0.21433%0.33CS..THydrogen-bonded Turntrans57.714.3-178.9-51.9-42000114.8H143 Y259 E265 I281 L282H143-D267 IonicContact CE1-OD1 3.14Å; H143-D267 IonicContact CE1-OD2 4Å; H143-D267 PolarHBondContact CE1-OD2 3.03Å; Y259-D267 WeakPolarHBondContact CE1-OD1 3.46Å; Y259-D267 PolarHBondContact OH-OD1 3.03Å; E265-D267 PolarHBondContact O-N 3.29Å; D267-I281 CarbonylContact O-C 3.58Å; D267-I281 WeakPolarHBondContact O-CA 3.29Å; D267-L282 PolarHBondContact O-N 3.33Å
268T95.7Very high91Very high32 Ų3267.1 Ų67.120%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-99.6111.7-178.4-56.80000110.4E265 N266 E279 A280E265-T268 VanDerWaalsContact O-CB 3.31Å; E265-T268 WeakPolarHBondContact O-CB 3.32Å; E265-T268 PolarHBondContact O-N 3.01Å; N266-T268 PolarHBondContact O-N 2.98Å; N266-T268 PolarHBondContact O-OG1 2.57Å; T268-E279 HydrophobicContact CG2-CB 4.01Å; T268-A280 CarbonylContact C-O 3.5Å; T268-A280 WeakPolarHBondContact CA-O 3.43Å
269Y96.3Very high90.8Very high5 Ų572.9 Ų72.92%0.0238%0.375CS..EExtended strand (participates in β ladder)trans-94.5125.3174.7168.5-123.9000110.7L262 I264 Y271 E279 A280 V346 N349 L350 D353L262-Y269 HydrophobicContact CD1-CE2 4.16Å; I264-Y269 HydrophobicContact CG1-CD2 4.43Å; Y269-Y271 AromaticContact CD1-CD1 3.96Å; Y269-Y271 HydrophobicContact CD1-CD1 3.96Å; Y269-Y271 HydrophobicContact CD1-CG 4.44Å; Y269-Y271 AromaticContact CE1-CD1 3.86Å; Y269-Y271 HydrophobicContact CE1-CD1 3.86Å; Y269-Y271 AromaticContact CE1-CG 3.88Å; Y269-Y271 HydrophobicContact CE1-CG 3.88Å; Y269-Y271 VanDerWaalsContact CZ-CB 3.48Å; Y269-Y271 WeakPolarHBondContact OH-CB 3.4Å; Y269-E279 CarbonylContact O-C 3.56Å; Y269-E279 WeakPolarHBondContact O-CA 3.38Å; Y269-A280 PolarHBondContact N-O 3.34Å; Y269-A280 PolarHBondContact O-N 2.91Å; Y269-V346 HydrophobicContact CD1-CG1 4.15Å; Y269-V346 HydrophobicContact CE1-CG1 4.48Å; Y269-N349 PolarHBondContact OH-O 3.25Å; Y269-L350 HydrophobicContact CD1-CB 4.29Å; Y269-L350 HydrophobicContact CD1-CD1 3.95Å; Y269-L350 HydrophobicContact CD2-CD1 3.73Å; Y269-L350 HydrophobicContact CE1-CB 3.77Å; Y269-L350 HydrophobicContact CE1-CD1 3.92Å; Y269-L350 HydrophobicContact CE1-CG 4.43Å; Y269-L350 HydrophobicContact CE2-CD1 3.73Å; Y269-L350 HydrophobicContact CG-CD1 3.85Å; Y269-L350 WeakPolarHBondContact OH-CA 3.25Å; Y269-L350 PolarHBondContact OH-N 2.85Å; Y269-D353 PolarHBondContact OH-OD2 3.39Å
270K94.3Very high90.6Very high133 Ų13373 Ų7358%0.57838%0.379SS*.EExtended strand (participates in β ladder)trans-102.1126.8177.2-50.5-164.2-175.1-149.70110.1K278 E279K270-K278 WeakPolarHBondContact CA-O 3.37Å; K270-E279 HydrophobicContact CD-CG 4.37Å; K270-E279 WeakPolarHBondContact CD-OE1 3.36Å; K270-E279 WeakPolarHBondContact CE-OE1 3.35Å; K270-E279 HydrophobicContact CG-CG 4.09Å; K270-E279 IonicContact NZ-OE1 2.71Å; K270-E279 PolarHBondContact NZ-OE1 3.37Å
271Y90.9Very high90.4Very high15 Ų1577.3 Ų77.36%0.05940%0.401CS..EExtended strand (participates in β ladder)trans-140.4160-176.369.2-77.7000112.4Y269 T273 K278 A280 V346 N349Y269-Y271 AromaticContact CD1-CD1 3.96Å; Y269-Y271 HydrophobicContact CD1-CD1 3.96Å; Y269-Y271 HydrophobicContact CD1-CG 4.44Å; Y269-Y271 AromaticContact CE1-CD1 3.86Å; Y269-Y271 HydrophobicContact CE1-CD1 3.86Å; Y269-Y271 AromaticContact CE1-CG 3.88Å; Y269-Y271 HydrophobicContact CE1-CG 3.88Å; Y269-Y271 VanDerWaalsContact CZ-CB 3.48Å; Y269-Y271 WeakPolarHBondContact OH-CB 3.4Å; Y271-T273 WeakPolarHBondContact CD2-OG1 3.16Å; Y271-T273 WeakPolarHBondContact CE2-OG1 3.45Å; Y271-K278 HydrophobicContact CD1-CB 4.24Å; Y271-K278 HydrophobicContact CE1-CB 3.71Å; Y271-K278 HydrophobicContact CE2-CB 4.16Å; Y271-K278 HydrophobicContact CE2-CD 4.12Å; Y271-K278 PolarHBondContact N-O 2.88Å; Y271-K278 PolarHBondContact O-N 3Å; Y271-A280 HydrophobicContact CE1-CB 3.98Å; Y271-V346 HydrophobicContact CE1-CG2 3.9Å; Y271-V346 WeakPolarHBondContact OH-CG2 3.43Å; Y271-N349 HydrophobicContact CD2-CB 4.22Å
272K85.7Confident90.3Very high142 Ų14277 Ų7762%0.61740%0.4SS*.EExtended strand (participates in β ladder)trans-106.7129.9179.2-69.1-177.3-179.5-169.20110.2K276 E277K272-K276 WeakPolarHBondContact CA-O 3.41Å; K272-E277 HydrophobicContact CD-CG 4.33Å; K272-E277 WeakPolarHBondContact CE-OE1 3.24Å; K272-E277 HydrophobicContact CG-CG 3.89Å; K272-E277 IonicContact NZ-OE1 3.25Å; K272-E277 PolarHBondContact NZ-OE1 3.44Å
273T79.9Confident90Very high6 Ų679.6 Ų79.64%0.03741%0.411CS..EExtended strand (participates in β ladder)trans-137.8128.2170.3-56.40000109.1Y271 G275 K276 L324Y271-T273 WeakPolarHBondContact CD2-OG1 3.16Å; Y271-T273 WeakPolarHBondContact CE2-OG1 3.45Å; T273-G275 PolarHBondContact O-N 2.66Å; T273-K276 PolarHBondContact N-O 2.91Å; T273-K276 PolarHBondContact O-N 2.97Å; T273-L324 HydrophobicContact CG2-CD2 3.96Å
274D74.6Confident89.7Confident117 Ų11776.7 Ų76.763%0.62639%0.389SS*.THydrogen-bonded Turntrans52.238-177.6-58.2-30.7000113.1K276D274-K276 PolarHBondContact O-N 2.62Å
275G76.4Confident89.3Confident79 Ų7979.2 Ų79.281%0.81440%0.4SS*.THydrogen-bonded Turntrans752.6-179.700000115.5T273T273-G275 PolarHBondContact O-N 2.66Å
276K84.1Confident89.3Confident152 Ų15273.2 Ų73.266%0.66137%0.373SS*.EExtended strand (participates in β ladder)trans-104.5133.7175.3-64.3-174.3179.9-174.40111K272 T273 D274K272-K276 WeakPolarHBondContact CA-O 3.41Å; T273-K276 PolarHBondContact N-O 2.91Å; T273-K276 PolarHBondContact O-N 2.97Å; D274-K276 PolarHBondContact O-N 2.62Å
277E89.7Confident89.4Confident150 Ų15071.4 Ų71.470%0.70136%0.363SS*.EExtended strand (participates in β ladder)trans-73.1134.5169.1-72.9178-176.900109.8K272K272-E277 HydrophobicContact CD-CG 4.33Å; K272-E277 WeakPolarHBondContact CE-OE1 3.24Å; K272-E277 HydrophobicContact CG-CG 3.89Å; K272-E277 IonicContact NZ-OE1 3.25Å; K272-E277 PolarHBondContact NZ-OE1 3.44Å
278K91Very high89.2Confident87 Ų8770.1 Ų70.138%0.37836%0.356SS..EExtended strand (participates in β ladder)trans-134.4156.2177.6-67.9-178.4-177.3171.80108.8K270 Y271K270-K278 WeakPolarHBondContact CA-O 3.37Å; Y271-K278 HydrophobicContact CD1-CB 4.24Å; Y271-K278 HydrophobicContact CE1-CB 3.71Å; Y271-K278 HydrophobicContact CE2-CB 4.16Å; Y271-K278 HydrophobicContact CE2-CD 4.12Å; Y271-K278 PolarHBondContact N-O 2.88Å; Y271-K278 PolarHBondContact O-N 3Å
279E93.3Very high89.2Confident122 Ų12268.7 Ų68.757%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-121.1143.7177.4-54-172.7155.100108.9T268 Y269 K270T268-E279 HydrophobicContact CG2-CB 4.01Å; Y269-E279 CarbonylContact O-C 3.56Å; Y269-E279 WeakPolarHBondContact O-CA 3.38Å; K270-E279 HydrophobicContact CD-CG 4.37Å; K270-E279 WeakPolarHBondContact CD-OE1 3.36Å; K270-E279 WeakPolarHBondContact CE-OE1 3.35Å; K270-E279 HydrophobicContact CG-CG 4.09Å; K270-E279 IonicContact NZ-OE1 2.71Å; K270-E279 PolarHBondContact NZ-OE1 3.37Å
280A93.7Very high89.1Confident17 Ų1771.1 Ų71.114%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-136.3139.7174.400000109.6T268 Y269 Y271 V346T268-A280 CarbonylContact C-O 3.5Å; T268-A280 WeakPolarHBondContact CA-O 3.43Å; Y269-A280 PolarHBondContact N-O 3.34Å; Y269-A280 PolarHBondContact O-N 2.91Å; Y271-A280 HydrophobicContact CE1-CB 3.98Å; A280-V346 HydrophobicContact CB-CB 4.4Å; A280-V346 HydrophobicContact CB-CG1 3.57Å; A280-V346 HydrophobicContact CB-CG2 3.86Å
281I93.3Very high89Confident100 Ų10070.9 Ų70.951%0.51336%0.358SS..EExtended strand (participates in β ladder)trans-95.4130.1177-56.9174.1000108.2D267 E283D267-I281 CarbonylContact O-C 3.58Å; D267-I281 WeakPolarHBondContact O-CA 3.29Å; I281-E283 HydrophobicContact CG2-CB 4.22Å; I281-E283 HydrophobicContact CG2-CG 4.28Å; I281-E283 PolarHBondContact O-N 2.91Å
282L94.4Very high89.2Confident9 Ų970.1 Ų70.15%0.04736%0.355CS..  trans-92.689.2179.3-57.3-179.7000109.7Y259 I264 D267 W289 L350Y259-L282 HydrophobicContact CE2-CD1 3.99Å; I264-L282 HydrophobicContact CD1-CD1 3.96Å; I264-L282 HydrophobicContact CG2-CD1 4.43Å; D267-L282 PolarHBondContact O-N 3.33Å; L282-W289 HydrophobicContact CB-CZ2 4.19Å; L282-W289 HydrophobicContact CD1-CH2 4.02Å; L282-W289 HydrophobicContact CD1-CZ2 4.22Å; L282-W289 HydrophobicContact CD1-CZ3 4.44Å; L282-W289 HydrophobicContact CD2-CE3 4.46Å; L282-L350 HydrophobicContact CD1-CD2 4.23Å; L282-L350 HydrophobicContact CD2-CD2 4.18Å
283E90.8Very high89.8Confident67 Ų6763.5 Ų63.531%0.31333%0.326SS..  trans-130168.6-173.261.8-175.4-167.200112.8I281 E285 D286I281-E283 HydrophobicContact CG2-CB 4.22Å; I281-E283 HydrophobicContact CG2-CG 4.28Å; I281-E283 PolarHBondContact O-N 2.91Å; E283-E285 VanDerWaalsContact C-N 3.25Å; E283-E285 WeakPolarHBondContact CB-OE2 3.43Å; E283-E285 HydrophobicContact CG-CB 4.36Å; E283-E285 WeakPolarHBondContact CG-OE2 3.23Å; E283-E285 PolarHBondContact O-N 2.81Å; E283-D286 PolarHBondContact O-N 2.78Å; E283-D286 VanDerWaalsContact O-N 3.11Å
284E90.3Very high90.6Very high39 Ų3965 Ų6518%0.18233%0.332CS..THydrogen-bonded Turntrans-73.9-11.8-176.2-65.9-162.4140.200113.9K11 E144 S145 D286 V290 R293K11-E284 WeakPolarHBondContact CD-OE2 3.49Å; E144-E284 WeakPolarHBondContact CB-OE1 3.3Å; S145-E284 WeakPolarHBondContact CB-OE1 3.26Å; S145-E284 PolarHBondContact N-OE1 3.28Å; S145-E284 PolarHBondContact N-OE2 2.84Å; S145-E284 PolarHBondContact OG-OE1 3.5Å; E284-D286 PolarHBondContact O-N 2.82Å; E284-V290 HydrophobicContact CB-CG2 4Å; E284-V290 HydrophobicContact CG-CG2 4.13Å; E284-R293 IonicContact OE1-CZ 3.4Å; E284-R293 IonicContact OE1-NH1 3.35Å; E284-R293 PolarHBondContact OE1-NH1 3.37Å; E284-R293 IonicContact OE1-NH2 3.5Å; E284-R293 PolarHBondContact OE1-NH2 3.29Å
285E87.4Confident91.6Very high67 Ų6764.2 Ų64.231%0.31332%0.321SS..THydrogen-bonded Turntrans-72.8-10.7168.7-59.7108.4132.300113.2K50 E283 D287 K343K50-E285 WeakPolarHBondContact CE-OE1 3.47Å; K50-E285 IonicContact NZ-OE1 3.83Å; E283-E285 VanDerWaalsContact C-N 3.25Å; E283-E285 WeakPolarHBondContact CB-OE2 3.43Å; E283-E285 HydrophobicContact CG-CB 4.36Å; E283-E285 WeakPolarHBondContact CG-OE2 3.23Å; E283-E285 PolarHBondContact O-N 2.81Å; E285-D287 PolarHBondContact O-N 2.8Å; E285-K343 PolarHBondContact O-NZ 2.92Å
286D90.9Very high92.6Very high14 Ų1461.6 Ų61.68%0.07529%0.287CS..  trans-86.892.2162.5-161.8-7.6000111.8E283 E284 L288 W289 V290 K343 H347E283-D286 PolarHBondContact O-N 2.78Å; E283-D286 VanDerWaalsContact O-N 3.11Å; E284-D286 PolarHBondContact O-N 2.82Å; D286-L288 PolarHBondContact O-N 2.98Å; D286-L288 WeakPolarHBondContact OD1-CB 3.15Å; D286-L288 PolarHBondContact OD1-N 2.91Å; D286-L288 VanDerWaalsContact OD1-N 3.08Å; D286-W289 HydrophobicContact CB-CB 3.8Å; D286-W289 WeakPolarHBondContact O-CA 3.49Å; D286-W289 VanDerWaalsContact O-CB 3.31Å; D286-W289 WeakPolarHBondContact O-CB 3.41Å; D286-W289 PolarHBondContact O-N 2.82Å; D286-V290 PolarHBondContact O-N 2.98Å; D286-K343 WeakPolarHBondContact OD1-CD 3.37Å; D286-K343 WeakPolarHBondContact OD1-CE 3.38Å; D286-K343 IonicContact OD1-NZ 2.86Å; D286-K343 PolarHBondContact OD1-NZ 3.12Å; D286-H347 IonicContact OD2-CD2 2.93Å; D286-H347 IonicContact OD2-CE1 2.8Å; D286-H347 IonicContact OD2-NE2 2.73Å; D286-H347 PolarHBondContact OD2-NE2 3.28Å
287D89.8Confident93.2Very high106 Ų10654.6 Ų54.657%0.56726%0.257SS*.Hα-helixtrans-52.3-33.2173.660.1-53.4000113.8E285 R291 K343E285-D287 PolarHBondContact O-N 2.8Å; D287-R291 WeakPolarHBondContact O-CB 3.36Å; D287-R291 PolarHBondContact O-N 2.66Å; D287-K343 IonicContact OD1-NZ 2.91Å; D287-K343 PolarHBondContact OD1-NZ 3.27Å
288L91.1Very high93.4Very high13 Ų1349.3 Ų49.37%0.06824%0.239CC..Hα-helixtrans-68.3-47.8174.817856.6000110.3D286 V290 R291 I292 L307 Q344 H347D286-L288 PolarHBondContact O-N 2.98Å; D286-L288 WeakPolarHBondContact OD1-CB 3.15Å; D286-L288 PolarHBondContact OD1-N 2.91Å; D286-L288 VanDerWaalsContact OD1-N 3.08Å; L288-V290 PolarHBondContact O-N 2.71Å; L288-R291 WeakPolarHBondContact O-CB 3.47Å; L288-R291 PolarHBondContact O-N 3.14Å; L288-R291 VanDerWaalsContact O-N 3.16Å; L288-I292 HydrophobicContact CD1-CD1 4.19Å; L288-I292 HydrophobicContact CD1-CG2 3.95Å; L288-I292 HydrophobicContact CG-CD1 4.05Å; L288-I292 VanDerWaalsContact O-CG1 3.27Å; L288-I292 WeakPolarHBondContact O-CG1 3.47Å; L288-I292 PolarHBondContact O-N 2.97Å; L288-I292 VanDerWaalsContact O-N 3.14Å; L288-L307 HydrophobicContact CD1-CD1 3.69Å; L288-Q344 HydrophobicContact CD2-CB 4.37Å; L288-Q344 HydrophobicContact CD2-CG 3.63Å; L288-H347 HydrophobicContact CD2-CB 4.42Å
289W95.1Very high93.5Very high3 Ų347.7 Ų47.71%0.01124%0.236CC..Hα-helixtrans-55-51.8177.3175.5-118.9000111.5F254 Q255 Y259 L282 D286 R291 I292 R293 H347 L350F254-W289 HydrophobicContact CD1-CE3 4.18Å; F254-W289 AromaticContact CD1-CZ3 3.69Å; F254-W289 HydrophobicContact CD1-CZ3 3.69Å; F254-W289 HydrophobicContact CE1-CE3 4.04Å; F254-W289 AromaticContact CE1-CZ3 3.69Å; F254-W289 HydrophobicContact CE1-CZ3 3.69Å; Q255-W289 HydrophobicContact CB-CH2 3.85Å; Q255-W289 HydrophobicContact CB-CZ2 3.95Å; Q255-W289 HydrophobicContact CG-CH2 4.06Å; Q255-W289 HydrophobicContact CG-CZ2 3.77Å; Y259-W289 HydrophobicContact CE2-CH2 4.35Å; Y259-W289 HydrophobicContact CE2-CZ2 4.17Å; L282-W289 HydrophobicContact CB-CZ2 4.19Å; L282-W289 HydrophobicContact CD1-CH2 4.02Å; L282-W289 HydrophobicContact CD1-CZ2 4.22Å; L282-W289 HydrophobicContact CD1-CZ3 4.44Å; L282-W289 HydrophobicContact CD2-CE3 4.46Å; D286-W289 HydrophobicContact CB-CB 3.8Å; D286-W289 WeakPolarHBondContact O-CA 3.49Å; D286-W289 VanDerWaalsContact O-CB 3.31Å; D286-W289 WeakPolarHBondContact O-CB 3.41Å; D286-W289 PolarHBondContact O-N 2.82Å; W289-R291 PolarHBondContact O-N 2.74Å; W289-I292 PolarHBondContact O-N 3.2Å; W289-R293 HydrophobicContact CD2-CB 3.96Å; W289-R293 HydrophobicContact CE3-CB 4.21Å; W289-R293 HydrophobicContact CH2-CB 4.29Å; W289-R293 HydrophobicContact CZ2-CB 4Å; W289-R293 HydrophobicContact CZ3-CB 4.38Å; W289-R293 VanDerWaalsContact O-CB 3.23Å; W289-R293 WeakPolarHBondContact O-CB 3.25Å; W289-R293 PolarHBondContact O-N 3.43Å; W289-H347 AromaticContact CE3-CE1 3.54Å; W289-H347 AromaticContact CE3-ND1 3.78Å; W289-L350 HydrophobicContact CZ3-CD2 3.94Å
290V94.8Very high93.6Very high56 Ų5641.9 Ų41.934%0.33921%0.209SC..Hα-helixtrans-55.8-37.9179.11770000111.8E284 D286 L288E284-V290 HydrophobicContact CB-CG2 4Å; E284-V290 HydrophobicContact CG-CG2 4.13Å; D286-V290 PolarHBondContact O-N 2.98Å; L288-V290 PolarHBondContact O-N 2.71Å
291R92.7Very high93.4Very high127 Ų12744.2 Ų44.248%0.47922%0.219SC..Hα-helixtrans-71.7-32.6179.8177.9176.2168.3168.7-1.3113.7D287 L288 W289 R295 E303D287-R291 WeakPolarHBondContact O-CB 3.36Å; D287-R291 PolarHBondContact O-N 2.66Å; L288-R291 WeakPolarHBondContact O-CB 3.47Å; L288-R291 PolarHBondContact O-N 3.14Å; L288-R291 VanDerWaalsContact O-N 3.16Å; W289-R291 PolarHBondContact O-N 2.74Å; R291-R295 PolarHBondContact O-NE 3.16Å; R291-R295 VanDerWaalsContact O-NE 3.1Å; R291-E303 IonicContact CZ-OE1 3.17Å; R291-E303 IonicContact NE-OE1 2.83Å; R291-E303 PolarHBondContact NE-OE1 2.83Å; R291-E303 IonicContact NH2-OE1 2.75Å; R291-E303 PolarHBondContact NH2-OE1 3.32Å
292I95.2Very high93.3Very high0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-108.2-18.7-170.469.2-178.8000114.2F254 L288 W289 H294 R295 V300 I304 H347F254-I292 HydrophobicContact CD1-CB 4.47Å; F254-I292 HydrophobicContact CD1-CD1 3.92Å; F254-I292 HydrophobicContact CD1-CG1 3.77Å; F254-I292 HydrophobicContact CE1-CD1 3.53Å; F254-I292 HydrophobicContact CE1-CG1 3.9Å; L288-I292 HydrophobicContact CD1-CD1 4.19Å; L288-I292 HydrophobicContact CD1-CG2 3.95Å; L288-I292 HydrophobicContact CG-CD1 4.05Å; L288-I292 VanDerWaalsContact O-CG1 3.27Å; L288-I292 WeakPolarHBondContact O-CG1 3.47Å; L288-I292 PolarHBondContact O-N 2.97Å; L288-I292 VanDerWaalsContact O-N 3.14Å; W289-I292 PolarHBondContact O-N 3.2Å; I292-H294 VanDerWaalsContact C-N 3.25Å; I292-H294 PolarHBondContact O-N 2.71Å; I292-H294 VanDerWaalsContact O-N 3.14Å; I292-R295 WeakPolarHBondContact O-CB 3.28Å; I292-R295 PolarHBondContact O-N 3.01Å; I292-V300 HydrophobicContact CB-CG2 4.13Å; I292-V300 HydrophobicContact CD1-CG1 4.25Å; I292-I304 HydrophobicContact CD1-CD1 4.14Å; I292-I304 HydrophobicContact CD1-CG1 4.3Å; I292-H347 HydrophobicContact CD1-CB 4.03Å
293R96.8Very high93Very high3 Ų345.1 Ų45.11%0.01122%0.221CC..THydrogen-bonded Turntrans-55.3-35.9-172.266.8172.5-176.7-155.6-12.5114.1E144 F254 Q255 E284 W289 Y548E144-R293 IonicContact OE1-CZ 2.91Å; E144-R293 IonicContact OE1-NE 3.61Å; E144-R293 IonicContact OE1-NH1 3.76Å; E144-R293 PolarHBondContact OE1-NH1 3.36Å; E144-R293 IonicContact OE2-CZ 2.97Å; E144-R293 IonicContact OE2-NE 3.06Å; E144-R293 IonicContact OE2-NH1 2.72Å; E144-R293 IonicContact OE2-NH2 3.59Å; F254-R293 PolarHBondContact N-O 3.05Å; Q255-R293 HydrophobicContact CB-CB 4.02Å; Q255-R293 WeakPolarHBondContact CB-O 3.41Å; Q255-R293 PolarHBondContact N-O 2.76Å; E284-R293 IonicContact OE1-CZ 3.4Å; E284-R293 IonicContact OE1-NH1 3.35Å; E284-R293 PolarHBondContact OE1-NH1 3.37Å; E284-R293 IonicContact OE1-NH2 3.5Å; E284-R293 PolarHBondContact OE1-NH2 3.29Å; W289-R293 HydrophobicContact CD2-CB 3.96Å; W289-R293 HydrophobicContact CE3-CB 4.21Å; W289-R293 HydrophobicContact CH2-CB 4.29Å; W289-R293 HydrophobicContact CZ2-CB 4Å; W289-R293 HydrophobicContact CZ3-CB 4.38Å; W289-R293 VanDerWaalsContact O-CB 3.23Å; W289-R293 WeakPolarHBondContact O-CB 3.25Å; W289-R293 PolarHBondContact O-N 3.43Å; R293-Y548 PolarHBondContact NH2-OH 3.43Å
294H97.4Very high92.7Very high37 Ų3742 Ų4217%0.17121%0.206CC..THydrogen-bonded Turntrans-96.11.1180-63-40.9000114Q255 I292 R545 Y548Q255-H294 PolarHBondContact OE1-CE1 2.96Å; Q255-H294 VanDerWaalsContact OE1-CE1 3.27Å; I292-H294 VanDerWaalsContact C-N 3.25Å; I292-H294 PolarHBondContact O-N 2.71Å; I292-H294 VanDerWaalsContact O-N 3.14Å; H294-R545 HydrophobicContact CB-CG 4Å; H294-Y548 AromaticContact CD2-CD2 3.79Å; H294-Y548 AromaticContact CD2-CG 3.86Å; H294-Y548 AromaticContact CE1-CD2 3.76Å; H294-Y548 AromaticContact CE1-CE2 3.87Å; H294-Y548 AromaticContact NE2-CD2 3.14Å; H294-Y548 WeakPolarHBondContact NE2-CD2 3.28Å; H294-Y548 AromaticContact NE2-CE2 3.29Å; H294-Y548 VanDerWaalsContact NE2-CE2 3.29Å; H294-Y548 WeakPolarHBondContact NE2-CE2 3.35Å; H294-Y548 AromaticContact NE2-CG 3.64Å; H294-Y548 AromaticContact NE2-CZ 3.9Å
295R96.3Very high92.3Very high100 Ų10041.8 Ų41.838%0.37721%0.208SC..SBendtrans-83.8151.7177.9-63.1-173.3-179.8-137.3-9110.7T253 F254 R291 I292 V300 E303T253-R295 WeakPolarHBondContact CA-O 3.25Å; F254-R295 PolarHBondContact N-O 3.41Å; R291-R295 PolarHBondContact O-NE 3.16Å; R291-R295 VanDerWaalsContact O-NE 3.1Å; I292-R295 WeakPolarHBondContact O-CB 3.28Å; I292-R295 PolarHBondContact O-N 3.01Å; R295-V300 HydrophobicContact CB-CG2 3.78Å; R295-E303 WeakPolarHBondContact CD-OE2 3.39Å; R295-E303 IonicContact CZ-OE1 2.67Å; R295-E303 IonicContact CZ-OE2 3.5Å; R295-E303 VanDerWaalsContact CZ-OE2 3.24Å; R295-E303 IonicContact NE-OE2 3.14Å; R295-E303 PolarHBondContact NE-OE2 3.4Å; R295-E303 IonicContact NH1-OE1 3.45Å; R295-E303 PolarHBondContact NH1-OE1 3.2Å; R295-E303 VanDerWaalsContact NH1-OE1 3.14Å; R295-E303 IonicContact NH1-OE2 3.94Å; R295-E303 PolarHBondContact NH1-OE2 3.05Å; R295-E303 IonicContact NH2-OE1 2.94Å
296H96.9Very high92.1Very high25 Ų2543.9 Ų43.912%0.11622%0.216CC..BIsolated β-bridgetrans-64.7141.3173.2-173.5-93000110.9L252 A298 V299 V300 F469L252-H296 WeakPolarHBondContact CB-NE2 3.37Å; H296-A298 WeakPolarHBondContact ND1-CB 3.14Å; H296-A298 PolarHBondContact ND1-N 3.48Å; H296-A298 PolarHBondContact O-N 3.09Å; H296-A298 VanDerWaalsContact O-N 3.14Å; H296-V299 HydrophobicContact CB-CG2 4.39Å; H296-V299 WeakPolarHBondContact O-CA 3.36Å; H296-V299 WeakPolarHBondContact O-CB 3.47Å; H296-V299 PolarHBondContact O-N 3.44Å; H296-V300 PolarHBondContact O-N 3.48Å; H296-V300 VanDerWaalsContact O-N 3.09Å; H296-F469 HydrophobicContact CB-CD2 4.03Å; H296-F469 HydrophobicContact CB-CE2 3.57Å; H296-F469 HydrophobicContact CB-CZ 4.12Å; H296-F469 AromaticContact CD2-CD2 3.7Å; H296-F469 AromaticContact CD2-CG 4Å; H296-F469 AromaticContact CE1-CD1 3.73Å; H296-F469 AromaticContact CE1-CG 3.78Å; H296-F469 AromaticContact CG-CD2 3.6Å; H296-F469 AromaticContact CG-CE2 3.52Å; H296-F469 AromaticContact CG-CZ 3.94Å; H296-F469 AromaticContact ND1-CD1 3.86Å; H296-F469 AromaticContact ND1-CD2 3.84Å; H296-F469 AromaticContact ND1-CE1 3.71Å; H296-F469 AromaticContact ND1-CE2 3.69Å; H296-F469 AromaticContact ND1-CG 3.94Å; H296-F469 AromaticContact ND1-CZ 3.62Å; H296-F469 AromaticContact NE2-CG 3.81Å
297I95.8Very high91.4Very high5 Ų544.2 Ų44.23%0.02622%0.218CC..Hα-helixtrans-54.5-37-174.9-174.659.9000113.2L252 F254 M257 V299 V300 L301 A351 M355L252-I297 HydrophobicContact CB-CG2 4.31Å; L252-I297 PolarHBondContact O-N 3.23Å; F254-I297 HydrophobicContact CD2-CD1 3.83Å; F254-I297 HydrophobicContact CE2-CD1 4.17Å; M257-I297 HydrophobicContact SD-CB 3.83Å; M257-I297 HydrophobicContact SD-CD1 4.42Å; M257-I297 HydrophobicContact SD-CG1 3.89Å; M257-I297 HydrophobicContact SD-CG2 3.96Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 2.94Å; I297-V300 PolarHBondContact O-N 2.94Å; I297-L301 HydrophobicContact CD1-CG 4.34Å; I297-L301 HydrophobicContact CG1-CD1 4.28Å; I297-L301 HydrophobicContact CG1-CG 4.39Å; I297-L301 WeakPolarHBondContact O-CG 3.46Å; I297-L301 PolarHBondContact O-N 3.25Å; I297-A351 HydrophobicContact CD1-CB 4.12Å; I297-M355 HydrophobicContact CG1-CG 4.14Å; I297-M355 HydrophobicContact CG1-SD 3.56Å; I297-M355 VanDerWaalsContact CG1-SD 3.56Å; I297-M355 HydrophobicContact CG2-SD 4.3Å
298A93.6Very high90.5Very high39 Ų3939.7 Ų39.732%0.32219%0.194SC..Hα-helixtrans-60.5-39.5176.100000112.5H296 F469H296-A298 WeakPolarHBondContact ND1-CB 3.14Å; H296-A298 PolarHBondContact ND1-N 3.48Å; H296-A298 PolarHBondContact O-N 3.09Å; H296-A298 VanDerWaalsContact O-N 3.14Å; A298-F469 HydrophobicContact CB-CE1 4.03Å; A298-F469 HydrophobicContact CB-CZ 4.44Å
299V94.3Very high89.7Confident53 Ų5345 Ų4532%0.32122%0.216SC..Hα-helixtrans-70.3-41176.7-178.80000110.2H296 I297 L301 E302 E303 F469H296-V299 HydrophobicContact CB-CG2 4.39Å; H296-V299 WeakPolarHBondContact O-CA 3.36Å; H296-V299 WeakPolarHBondContact O-CB 3.47Å; H296-V299 PolarHBondContact O-N 3.44Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 2.94Å; V299-L301 PolarHBondContact O-N 3.46Å; V299-E302 PolarHBondContact O-N 3.27Å; V299-E303 WeakPolarHBondContact O-CB 3.35Å; V299-E303 PolarHBondContact O-N 3.46Å; V299-F469 HydrophobicContact CG2-CE2 4.45Å; V299-F469 HydrophobicContact CG2-CZ 3.96Å
300V94.3Very high88.7Confident0 Ų050.2 Ų50.20%024%0.24CC..Hα-helixtrans-61.8-44.1179.2175.30000111.8F254 I292 R295 H296 I297 E302 E303 I304F254-V300 HydrophobicContact CB-CG2 4Å; F254-V300 HydrophobicContact CD1-CG1 4.13Å; F254-V300 HydrophobicContact CD1-CG2 4.44Å; F254-V300 HydrophobicContact CD2-CG1 4.33Å; F254-V300 HydrophobicContact CE1-CG1 4.17Å; F254-V300 HydrophobicContact CE2-CG1 4.38Å; F254-V300 HydrophobicContact CG-CG1 4.2Å; F254-V300 HydrophobicContact CG-CG2 4.21Å; F254-V300 HydrophobicContact CZ-CG1 4.27Å; I292-V300 HydrophobicContact CB-CG2 4.13Å; I292-V300 HydrophobicContact CD1-CG1 4.25Å; R295-V300 HydrophobicContact CB-CG2 3.78Å; H296-V300 PolarHBondContact O-N 3.48Å; H296-V300 VanDerWaalsContact O-N 3.09Å; I297-V300 PolarHBondContact O-N 2.94Å; V300-E302 PolarHBondContact O-N 3.36Å; V300-E303 PolarHBondContact O-N 3.34Å; V300-E303 VanDerWaalsContact O-N 3.15Å; V300-I304 HydrophobicContact CG1-CD1 3.49Å; V300-I304 VanDerWaalsContact CG1-CD1 3.49Å; V300-I304 HydrophobicContact CG1-CG1 3.97Å; V300-I304 WeakPolarHBondContact O-CG1 3.38Å; V300-I304 PolarHBondContact O-N 3.24Å
301L90.7Very high87.5Confident65 Ų6548.9 Ų48.934%0.3423%0.231SC..Hα-helixtrans-60.8-28.7177.4-71.3168.6000113.1I297 V299 P305 A351 M355I297-L301 HydrophobicContact CD1-CG 4.34Å; I297-L301 HydrophobicContact CG1-CD1 4.28Å; I297-L301 HydrophobicContact CG1-CG 4.39Å; I297-L301 WeakPolarHBondContact O-CG 3.46Å; I297-L301 PolarHBondContact O-N 3.25Å; V299-L301 PolarHBondContact O-N 3.46Å; L301-P305 WeakPolarHBondContact O-CD 3.45Å; L301-P305 VanDerWaalsContact O-CG 3.25Å; L301-P305 WeakPolarHBondContact O-CG 3.31Å; L301-A351 HydrophobicContact CD2-CB 3.96Å; L301-M355 HydrophobicContact CD1-CE 4.25Å; L301-M355 HydrophobicContact CD1-CG 3.63Å; L301-M355 HydrophobicContact CD1-SD 3.8Å; L301-M355 HydrophobicContact CD2-CG 4.05Å; L301-M355 HydrophobicContact CG-CG 4.32Å
302E89.9Confident86.1Confident115 Ų11544.1 Ų44.154%0.53722%0.217SC..Hα-helixtrans-84.2-36.7173.6-70-168.7-165.500113.2V299 V300 K306V299-E302 PolarHBondContact O-N 3.27Å; V300-E302 PolarHBondContact O-N 3.36Å; E302-K306 WeakPolarHBondContact O-CD 3.39Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.41Å; E302-K306 IonicContact OE2-NZ 2.83Å; E302-K306 PolarHBondContact OE2-NZ 2.82Å
303E88.4Confident84.7Confident14 Ų1448 Ų487%0.06524%0.244CC..Hα-helixtrans-75.1-42.5-172.2-173.1167.4-16800112.6R291 R295 V299 V300 K306 L307R291-E303 IonicContact CZ-OE1 3.17Å; R291-E303 IonicContact NE-OE1 2.83Å; R291-E303 PolarHBondContact NE-OE1 2.83Å; R291-E303 IonicContact NH2-OE1 2.75Å; R291-E303 PolarHBondContact NH2-OE1 3.32Å; R295-E303 WeakPolarHBondContact CD-OE2 3.39Å; R295-E303 IonicContact CZ-OE1 2.67Å; R295-E303 IonicContact CZ-OE2 3.5Å; R295-E303 VanDerWaalsContact CZ-OE2 3.24Å; R295-E303 IonicContact NE-OE2 3.14Å; R295-E303 PolarHBondContact NE-OE2 3.4Å; R295-E303 IonicContact NH1-OE1 3.45Å; R295-E303 PolarHBondContact NH1-OE1 3.2Å; R295-E303 VanDerWaalsContact NH1-OE1 3.14Å; R295-E303 IonicContact NH1-OE2 3.94Å; R295-E303 PolarHBondContact NH1-OE2 3.05Å; R295-E303 IonicContact NH2-OE1 2.94Å; V299-E303 WeakPolarHBondContact O-CB 3.35Å; V299-E303 PolarHBondContact O-N 3.46Å; V300-E303 PolarHBondContact O-N 3.34Å; V300-E303 VanDerWaalsContact O-N 3.15Å; E303-K306 PolarHBondContact O-N 3.1Å; E303-K306 VanDerWaalsContact O-N 3.16Å; E303-L307 HydrophobicContact CG-CD1 3.99Å; E303-L307 HydrophobicContact CG-CG 4.3Å; E303-L307 WeakPolarHBondContact O-CG 3.3Å; E303-L307 PolarHBondContact O-N 3.15Å
304I84.6Confident83Confident1 Ų152.9 Ų52.91%0.00528%0.275CS..Hα-helixtrans-59.4-48.3-179.3-57.7171000110.7I292 V300 K306 L307 M308 H347 L348 A351I292-I304 HydrophobicContact CD1-CD1 4.14Å; I292-I304 HydrophobicContact CD1-CG1 4.3Å; V300-I304 HydrophobicContact CG1-CD1 3.49Å; V300-I304 VanDerWaalsContact CG1-CD1 3.49Å; V300-I304 HydrophobicContact CG1-CG1 3.97Å; V300-I304 WeakPolarHBondContact O-CG1 3.38Å; V300-I304 PolarHBondContact O-N 3.24Å; I304-K306 PolarHBondContact O-N 2.85Å; I304-L307 PolarHBondContact O-N 2.94Å; I304-M308 HydrophobicContact CG2-CE 3.62Å; I304-M308 WeakPolarHBondContact O-CG 3.45Å; I304-M308 PolarHBondContact O-N 3.39Å; I304-H347 HydrophobicContact CD1-CB 3.87Å; I304-L348 HydrophobicContact CG2-CB 4.44Å; I304-L348 HydrophobicContact CG2-CD1 4.49Å; I304-A351 HydrophobicContact CD1-CB 4.44Å
305P82Confident81Confident34 Ų3458.5 Ų58.522%0.22130%0.299CS..Hα-helixtrans-65-32.6175.6-23.336.2000114.4L301 M308 K309L301-P305 WeakPolarHBondContact O-CD 3.45Å; L301-P305 VanDerWaalsContact O-CG 3.25Å; L301-P305 WeakPolarHBondContact O-CG 3.31Å; P305-M308 HydrophobicContact CG-CE 4.46Å; P305-M308 WeakPolarHBondContact O-CB 3.44Å; P305-M308 PolarHBondContact O-N 3.35Å; P305-K309 WeakPolarHBondContact O-CG 3.4Å; P305-K309 PolarHBondContact O-N 2.9Å
306K83.8Confident78.9Confident111 Ų11163.8 Ų63.848%0.48332%0.324SS..Hα-helixtrans-64.4-48.1175.5-74.3169.2-167.4168.30110.5E302 E303 I304 M308 K309 E310E302-K306 WeakPolarHBondContact O-CD 3.39Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.41Å; E302-K306 IonicContact OE2-NZ 2.83Å; E302-K306 PolarHBondContact OE2-NZ 2.82Å; E303-K306 PolarHBondContact O-N 3.1Å; E303-K306 VanDerWaalsContact O-N 3.16Å; I304-K306 PolarHBondContact O-N 2.85Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 2.69Å; K306-K309 PolarHBondContact O-N 3.45Å; K306-K309 VanDerWaalsContact O-N 3.09Å; K306-E310 PolarHBondContact O-N 3.05Å
307L76.5Confident76.7Confident22 Ų2264 Ų6412%0.11533%0.33CS..Hα-helixtrans-60.7-34.2175.7-67.4171.2000112.3L288 E303 I304 I311L288-L307 HydrophobicContact CD1-CD1 3.69Å; E303-L307 HydrophobicContact CG-CD1 3.99Å; E303-L307 HydrophobicContact CG-CG 4.3Å; E303-L307 WeakPolarHBondContact O-CG 3.3Å; E303-L307 PolarHBondContact O-N 3.15Å; I304-L307 PolarHBondContact O-N 2.94Å; L307-I311 WeakPolarHBondContact O-CG1 2.98Å; L307-I311 PolarHBondContact O-N 3.44Å
308M70.5Confident74.4Confident11 Ų1168.8 Ų68.85%0.05436%0.36CS..Hα-helixtrans-65.7-42.8173.4-76.2-170.7-106.200112.6I304 P305 K306 E310 I311 S312 L327 Q344 L348I304-M308 HydrophobicContact CG2-CE 3.62Å; I304-M308 WeakPolarHBondContact O-CG 3.45Å; I304-M308 PolarHBondContact O-N 3.39Å; P305-M308 HydrophobicContact CG-CE 4.46Å; P305-M308 WeakPolarHBondContact O-CB 3.44Å; P305-M308 PolarHBondContact O-N 3.35Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 2.69Å; M308-E310 VanDerWaalsContact C-N 3.33Å; M308-E310 PolarHBondContact O-N 2.83Å; M308-I311 PolarHBondContact O-N 2.84Å; M308-S312 PolarHBondContact O-N 3.11Å; M308-L327 HydrophobicContact CE-CD1 4.43Å; M308-L327 HydrophobicContact CG-CD2 4.49Å; M308-L327 HydrophobicContact SD-CD1 3.56Å; M308-L327 VanDerWaalsContact SD-CD1 3.56Å; M308-L327 HydrophobicContact SD-CD2 3.57Å; M308-L327 VanDerWaalsContact SD-CD2 3.57Å; M308-L327 HydrophobicContact SD-CG 4.18Å; M308-Q344 HydrophobicContact CG-CB 4.38Å; M308-Q344 VanDerWaalsContact CG-OE1 3.32Å; M308-L348 HydrophobicContact CE-CB 4.45Å; M308-L348 HydrophobicContact CE-CD1 3.97Å; M308-L348 HydrophobicContact CE-CD2 3.86Å; M308-L348 HydrophobicContact CE-CG 4.32Å
309K74.9Confident72.2Confident123 Ų12376.9 Ų76.954%0.53539%0.391SS..Hα-helixtrans-66.9-33.5178.1-74.6179.8-178.5178.50112.4P305 K306 I311 S312 S313 T322P305-K309 WeakPolarHBondContact O-CG 3.4Å; P305-K309 PolarHBondContact O-N 2.9Å; K306-K309 PolarHBondContact O-N 3.45Å; K306-K309 VanDerWaalsContact O-N 3.09Å; K309-I311 VanDerWaalsContact C-N 3.33Å; K309-S312 PolarHBondContact O-N 2.92Å; K309-S312 PolarHBondContact O-OG 3.25Å; K309-S312 VanDerWaalsContact O-OG 3.08Å; K309-S313 WeakPolarHBondContact O-CB 3.29Å; K309-S313 PolarHBondContact O-N 3Å; K309-S313 PolarHBondContact O-OG 2.93Å; K309-T322 HydrophobicContact CG-CG2 4.26Å
310E73.9Confident70.1Confident113 Ų11377.2 Ų77.253%0.52841%0.406SS..Hα-helixtrans-61.9-42.8174.7-73174.8-173.300111.1K306 M308 S312 S313 T314K306-E310 PolarHBondContact O-N 3.05Å; M308-E310 VanDerWaalsContact C-N 3.33Å; M308-E310 PolarHBondContact O-N 2.83Å; E310-S312 PolarHBondContact O-N 3.37Å; E310-S313 WeakPolarHBondContact CA-OG 3.43Å; E310-S313 PolarHBondContact O-OG 3.4Å; E310-T314 WeakPolarHBondContact O-CB 3.29Å; E310-T314 PolarHBondContact O-N 2.88Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 3.47Å
311I69.4Low68Low28 Ų2886.8 Ų86.814%0.14445%0.447CS..Hα-helixtrans-65-39.9177.9-63.6169.5000111.5L307 M308 K309 F337 Q340L307-I311 WeakPolarHBondContact O-CG1 2.98Å; L307-I311 PolarHBondContact O-N 3.44Å; M308-I311 PolarHBondContact O-N 2.84Å; K309-I311 VanDerWaalsContact C-N 3.33Å; I311-F337 HydrophobicContact CG2-CD1 4.42Å; I311-F337 HydrophobicContact CG2-CG 4.47Å; I311-Q340 HydrophobicContact CD1-CG 3.96Å
312S63.6Low66.4Low27 Ų2787 Ų8719%0.18945%0.452CS..Hα-helixtrans-76-36.3179.666.70000113.7M308 K309 E310 A317M308-S312 PolarHBondContact O-N 3.11Å; K309-S312 PolarHBondContact O-N 2.92Å; K309-S312 PolarHBondContact O-OG 3.25Å; K309-S312 VanDerWaalsContact O-OG 3.08Å; E310-S312 PolarHBondContact O-N 3.37Å; S312-A317 PolarHBondContact O-N 3.01Å
313S64.3Low65.1Low81 Ų8183.8 Ų83.857%0.56644%0.442SS*.Hα-helixtrans-74.7-30.7-178.757.80000113.4K309 E310 K315K309-S313 WeakPolarHBondContact O-CB 3.29Å; K309-S313 PolarHBondContact O-N 3Å; K309-S313 PolarHBondContact O-OG 2.93Å; E310-S313 WeakPolarHBondContact CA-OG 3.43Å; E310-S313 PolarHBondContact O-OG 3.4Å; S313-K315 PolarHBondContact O-N 2.98Å
314T61.9Low64Low107 Ų10785.1 Ų85.166%0.65645%0.449SS*.THydrogen-bonded Turntrans-56.2-19.7178.6-55.80000112.7E310E310-T314 WeakPolarHBondContact O-CB 3.29Å; E310-T314 PolarHBondContact O-N 2.88Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 3.47Å
315K55.3Low63.2Low155 Ų15589 Ų8967%0.67448%0.476SS*.THydrogen-bonded Turntrans-141.230-178.9-65.2-166.4176-175.30116.9S313 A317S313-K315 PolarHBondContact O-N 2.98Å; K315-A317 PolarHBondContact O-N 3.46Å
316K52.1Low62.5Low210 Ų21088.8 Ų88.891%0.91348%0.477SS*.THydrogen-bonded Turntrans53.548.1176.2-69.7-174.5175.1-179.30114.3
317A50.2Low61.6Low29 Ų2983.9 Ų83.924%0.2446%0.456CS..  trans-104.694.4171.200000110.9S312 K315 L330 M334S312-A317 PolarHBondContact O-N 3.01Å; K315-A317 PolarHBondContact O-N 3.46Å; A317-L330 HydrophobicContact CB-CD2 4.44Å; A317-M334 HydrophobicContact CB-CE 4.45Å
318T49.1Very low61.3Low107 Ų10784.5 Ų84.566%0.65646%0.461SS*.  trans62.4115162.3270000118.4G320T318-G320 PolarHBondContact O-N 3.35Å
319E45.6Very low61.3Low208 Ų20889.2 Ų89.297%0.97248%0.483SS*.  trans-68.6104.7156.8-70.2177.3166.900108.8
320G51.1Low61.1Low61 Ų6184.9 Ų84.963%0.62947%0.465SS*.  trans-165151178.300000111.4T318 T322T318-G320 PolarHBondContact O-N 3.35Å; G320-T322 PolarHBondContact O-N 3.38Å
321K50.1Low60.9Low200 Ų20081.2 Ų81.287%0.8745%0.449SS*.  trans-56.5133.6176-75.4-179.7175.4178.60109.9S323K321-S323 PolarHBondContact O-N 3.17Å
322T56.6Low61.3Low70 Ų7088.2 Ų88.243%0.42948%0.478SS..  trans-68.486.8174.943.60000109.9K309 G320K309-T322 HydrophobicContact CG-CG2 4.26Å; G320-T322 PolarHBondContact O-N 3.38Å
323S62.9Low61.8Low47 Ų4793.2 Ų93.233%0.32950%0.497SS..  trans-103153.1171.367.70000111.3K321 S325 A326 L327K321-S323 PolarHBondContact O-N 3.17Å; S323-S325 PolarHBondContact O-N 3.35Å; S323-S325 PolarHBondContact OG-OG 3Å; S323-A326 WeakPolarHBondContact O-CB 3.18Å; S323-A326 PolarHBondContact O-N 3.13Å; S323-A326 WeakPolarHBondContact OG-CB 3.35Å; S323-A326 PolarHBondContact OG-N 3.36Å; S323-L327 PolarHBondContact O-N 3.36Å; S323-L327 VanDerWaalsContact O-N 3.09Å
324L65.8Low62.2Low43 Ų4391.1 Ų91.123%0.22548%0.478CS..Hα-helixtrans-55.1-37.7176.2-122.2131.6000112.3T273 L327 T328 V345 L348T273-L324 HydrophobicContact CG2-CD2 3.96Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 2.85Å; L324-T328 PolarHBondContact O-N 3.32Å; L324-T328 VanDerWaalsContact O-N 3.15Å; L324-T328 PolarHBondContact O-OG1 3.13Å; L324-V345 HydrophobicContact CD2-CG1 4.24Å; L324-L348 HydrophobicContact CD1-CD2 4.25Å
325S67.4Low62.9Low82 Ų8290.2 Ų90.257%0.57347%0.474SS*.Hα-helixtrans-64.9-38.2174.856.60000113.4S323 L327 T328 Q329S323-S325 PolarHBondContact O-N 3.35Å; S323-S325 PolarHBondContact OG-OG 3Å; S325-L327 VanDerWaalsContact C-N 3.31Å; S325-T328 PolarHBondContact O-N 3.41Å; S325-Q329 PolarHBondContact O-N 3.27Å
326A67.1Low64Low29 Ų2991.6 Ų91.624%0.2448%0.482CS..Hα-helixtrans-68-33.4175.500000111.4S323 Q329 L330S323-A326 WeakPolarHBondContact O-CB 3.18Å; S323-A326 PolarHBondContact O-N 3.13Å; S323-A326 WeakPolarHBondContact OG-CB 3.35Å; S323-A326 PolarHBondContact OG-N 3.36Å; A326-Q329 PolarHBondContact O-N 3.03Å; A326-L330 WeakPolarHBondContact O-CB 3.25Å; A326-L330 WeakPolarHBondContact O-CG 3.16Å; A326-L330 PolarHBondContact O-N 3.45Å
327L65.8Low65Low9 Ų985.1 Ų85.15%0.04745%0.454CS..Hα-helixtrans-66.4-45.1176.1-65.6170.5000111.8M308 S323 L324 S325 Q329 L330 M331 I341 V345 L348M308-L327 HydrophobicContact CE-CD1 4.43Å; M308-L327 HydrophobicContact CG-CD2 4.49Å; M308-L327 HydrophobicContact SD-CD1 3.56Å; M308-L327 VanDerWaalsContact SD-CD1 3.56Å; M308-L327 HydrophobicContact SD-CD2 3.57Å; M308-L327 VanDerWaalsContact SD-CD2 3.57Å; M308-L327 HydrophobicContact SD-CG 4.18Å; S323-L327 PolarHBondContact O-N 3.36Å; S323-L327 VanDerWaalsContact O-N 3.09Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 2.85Å; S325-L327 VanDerWaalsContact C-N 3.31Å; L327-Q329 PolarHBondContact O-N 2.87Å; L327-L330 HydrophobicContact CD2-CD1 4.32Å; L327-L330 PolarHBondContact O-N 2.82Å; L327-L330 VanDerWaalsContact O-N 3.15Å; L327-M331 WeakPolarHBondContact O-CG 3.45Å; L327-M331 PolarHBondContact O-N 3.13Å; L327-I341 HydrophobicContact CB-CG2 4.49Å; L327-I341 HydrophobicContact CD2-CG2 4.49Å; L327-V345 HydrophobicContact CB-CG2 4.01Å; L327-V345 HydrophobicContact CD1-CG2 3.92Å; L327-L348 HydrophobicContact CD1-CD2 4.14Å
328T69.3Low66.5Low35 Ų3591.1 Ų91.122%0.21547%0.471CS..Hα-helixtrans-59.9-35.5174-55.70000111.5L324 S325 K332L324-T328 PolarHBondContact O-N 3.32Å; L324-T328 VanDerWaalsContact O-N 3.15Å; L324-T328 PolarHBondContact O-OG1 3.13Å; S325-T328 PolarHBondContact O-N 3.41Å; T328-K332 PolarHBondContact O-N 3.35Å
329Q71.1Confident68.1Low110 Ų11093.4 Ų93.451%0.51447%0.472SS..Hα-helixtrans-72.3-38.7175.3-165-179.79.200112.7S325 A326 L327 M331 K332 K333S325-Q329 PolarHBondContact O-N 3.27Å; A326-Q329 PolarHBondContact O-N 3.03Å; L327-Q329 PolarHBondContact O-N 2.87Å; Q329-M331 VanDerWaalsContact C-N 3.34Å; Q329-K332 WeakPolarHBondContact O-CB 3.09Å; Q329-K332 PolarHBondContact O-N 3.2Å; Q329-K333 PolarHBondContact O-N 2.94Å; Q329-K333 VanDerWaalsContact O-N 3.14Å
330L69.8Low69.8Low31 Ų3187.4 Ų87.416%0.16244%0.444CS..Hα-helixtrans-62.8-39.5174.3-79.1161.8000111.5A317 A326 L327 K332 K333 M334 I341A317-L330 HydrophobicContact CB-CD2 4.44Å; A326-L330 WeakPolarHBondContact O-CB 3.25Å; A326-L330 WeakPolarHBondContact O-CG 3.16Å; A326-L330 PolarHBondContact O-N 3.45Å; L327-L330 HydrophobicContact CD2-CD1 4.32Å; L327-L330 PolarHBondContact O-N 2.82Å; L327-L330 VanDerWaalsContact O-N 3.15Å; L330-K332 VanDerWaalsContact C-N 3.25Å; L330-K332 PolarHBondContact O-N 3.48Å; L330-K333 PolarHBondContact O-N 2.62Å; L330-K333 VanDerWaalsContact O-N 3.11Å; L330-M334 HydrophobicContact CD2-CE 3.53Å; L330-M334 PolarHBondContact O-N 3.11Å; L330-I341 HydrophobicContact CB-CD1 4.44Å
331M71.6Confident71.2Confident36 Ų3684.8 Ų84.818%0.17742%0.415CS..Hα-helixtrans-58.4-37.1174-69.81767100112.6L327 Q329 R338 I341 T342L327-M331 WeakPolarHBondContact O-CG 3.45Å; L327-M331 PolarHBondContact O-N 3.13Å; Q329-M331 VanDerWaalsContact C-N 3.34Å; M331-R338 HydrophobicContact CE-CG 3.64Å; M331-I341 HydrophobicContact CG-CB 3.87Å; M331-I341 HydrophobicContact CG-CD1 4.3Å; M331-I341 HydrophobicContact CG-CG2 3.41Å; M331-I341 VanDerWaalsContact CG-CG2 3.41Å; M331-I341 HydrophobicContact SD-CG2 4.03Å; M331-T342 WeakPolarHBondContact CE-OG1 3.13Å
332K76.3Confident72.8Confident175 Ų17577.8 Ų77.876%0.76139%0.389SS*.Hα-helixtrans-70.5-36.7176.1-68.8-179.6-179.4179.80112.1T328 Q329 L330T328-K332 PolarHBondContact O-N 3.35Å; Q329-K332 WeakPolarHBondContact O-CB 3.09Å; Q329-K332 PolarHBondContact O-N 3.2Å; L330-K332 VanDerWaalsContact C-N 3.25Å; L330-K332 PolarHBondContact O-N 3.48Å
333K75.4Confident74.3Confident133 Ų13376.2 Ų76.258%0.57838%0.376SS*.Hα-helixtrans-78.9-26.4-179.4-70.5-178177.5-179.40113.5Q329 L330Q329-K333 PolarHBondContact O-N 2.94Å; Q329-K333 VanDerWaalsContact O-N 3.14Å; L330-K333 PolarHBondContact O-N 2.62Å; L330-K333 VanDerWaalsContact O-N 3.11Å
334M72.6Confident75.4Confident37 Ų3774.4 Ų74.418%0.18236%0.363CS..  trans-129.777.1-174.8-69-167.2-78.100111.9A317 L330 H336 F337 R338A317-M334 HydrophobicContact CB-CE 4.45Å; L330-M334 HydrophobicContact CD2-CE 3.53Å; L330-M334 PolarHBondContact O-N 3.11Å; M334-H336 VanDerWaalsContact C-N 3.26Å; M334-H336 PolarHBondContact O-N 2.95Å; M334-F337 HydrophobicContact CB-CD2 4.38Å; M334-F337 PolarHBondContact O-N 3.46Å; M334-F337 HydrophobicContact SD-CD2 4.31Å; M334-R338 PolarHBondContact O-N 2.98Å
335P76.1Confident76.4Confident88 Ų8872.8 Ų72.857%0.57136%0.355SS*.G310 helixtrans-62.2-31.3-176.722.4-32000113.3F337 R338P335-F337 VanDerWaalsContact C-N 3.28Å; P335-F337 PolarHBondContact O-N 3.37Å; P335-R338 WeakPolarHBondContact O-CB 3.4Å; P335-R338 PolarHBondContact O-N 2.99Å
336H77.8Confident77.6Confident183 Ų18369.3 Ų69.385%0.84733%0.33SS*.G310 helixtrans-63.9-29.3178.1-62.1-70.2000113.7M334M334-H336 VanDerWaalsContact C-N 3.26Å; M334-H336 PolarHBondContact O-N 2.95Å
337F74.5Confident78.9Confident74 Ų7468 Ų6833%0.32532%0.319SS..G310 helixtrans-97.73.4178.3-69-76000113.2I311 M334 P335 K339 Q340 I341I311-F337 HydrophobicContact CG2-CD1 4.42Å; I311-F337 HydrophobicContact CG2-CG 4.47Å; M334-F337 HydrophobicContact CB-CD2 4.38Å; M334-F337 PolarHBondContact O-N 3.46Å; M334-F337 HydrophobicContact SD-CD2 4.31Å; P335-F337 VanDerWaalsContact C-N 3.28Å; P335-F337 PolarHBondContact O-N 3.37Å; F337-K339 PolarHBondContact O-N 2.85Å; F337-K339 VanDerWaalsContact O-N 3.16Å; F337-Q340 PolarHBondContact O-N 2.73Å; F337-I341 HydrophobicContact CB-CD1 4.05Å; F337-I341 HydrophobicContact CB-CG1 4.34Å; F337-I341 WeakPolarHBondContact O-CG1 3.41Å; F337-I341 PolarHBondContact O-N 3.4Å
338R80.1Confident80Confident155 Ų15569.2 Ų69.259%0.58533%0.326SS*.Hα-helixtrans-55.6-38.5-174.1-173.8179.8177.2-179.6-1.3112.9M331 M334 P335 T342M331-R338 HydrophobicContact CE-CG 3.64Å; M334-R338 PolarHBondContact O-N 2.98Å; P335-R338 WeakPolarHBondContact O-CB 3.4Å; P335-R338 PolarHBondContact O-N 2.99Å; R338-T342 WeakPolarHBondContact O-CB 3.32Å; R338-T342 PolarHBondContact O-N 3.12Å; R338-T342 PolarHBondContact O-OG1 3.28Å
339K83.4Confident81.1Confident156 Ų15668.2 Ų68.268%0.67832%0.319SS*.Hα-helixtrans-64.2-46.7177.8-171.9177.5179.9-178.40111.4F337 T342 K343F337-K339 PolarHBondContact O-N 2.85Å; F337-K339 VanDerWaalsContact O-N 3.16Å; K339-T342 PolarHBondContact O-N 3.39Å; K339-K343 WeakPolarHBondContact O-CG 3.24Å; K339-K343 PolarHBondContact O-N 3.36Å; K339-K343 VanDerWaalsContact O-N 3.12Å
340Q81Confident82.3Confident81 Ų8163 Ų6338%0.37929%0.294SS..Hα-helixtrans-67.2-42.2-179.6-168.2176.611.500111.9I311 F337 K343 Q344I311-Q340 HydrophobicContact CD1-CG 3.96Å; F337-Q340 PolarHBondContact O-N 2.73Å; Q340-K343 PolarHBondContact O-N 3.43Å; Q340-Q344 PolarHBondContact O-N 3.08Å; Q340-Q344 VanDerWaalsContact O-N 3.07Å
341I80.6Confident83.5Confident6 Ų661.5 Ų61.53%0.03129%0.287CS..Hα-helixtrans-65.7-40.8176.5-60.6167.4000110.5L327 L330 M331 F337 K343 Q344 V345L327-I341 HydrophobicContact CB-CG2 4.49Å; L327-I341 HydrophobicContact CD2-CG2 4.49Å; L330-I341 HydrophobicContact CB-CD1 4.44Å; M331-I341 HydrophobicContact CG-CB 3.87Å; M331-I341 HydrophobicContact CG-CD1 4.3Å; M331-I341 HydrophobicContact CG-CG2 3.41Å; M331-I341 VanDerWaalsContact CG-CG2 3.41Å; M331-I341 HydrophobicContact SD-CG2 4.03Å; F337-I341 HydrophobicContact CB-CD1 4.05Å; F337-I341 HydrophobicContact CB-CG1 4.34Å; F337-I341 WeakPolarHBondContact O-CG1 3.41Å; F337-I341 PolarHBondContact O-N 3.4Å; I341-K343 VanDerWaalsContact C-N 3.35Å; I341-K343 PolarHBondContact O-N 3.37Å; I341-Q344 PolarHBondContact O-N 3.02Å; I341-V345 HydrophobicContact CG2-CG2 4.25Å; I341-V345 VanDerWaalsContact O-CG2 3.32Å; I341-V345 WeakPolarHBondContact O-CG2 3.34Å; I341-V345 PolarHBondContact O-N 2.74Å
342T84.8Confident84.5Confident53 Ų5364.2 Ų64.233%0.32530%0.299SS..Hα-helixtrans-57-47.8175.3-55.30000111.2M331 R338 K339 Q344 V345 V346M331-T342 WeakPolarHBondContact CE-OG1 3.13Å; R338-T342 WeakPolarHBondContact O-CB 3.32Å; R338-T342 PolarHBondContact O-N 3.12Å; R338-T342 PolarHBondContact O-OG1 3.28Å; K339-T342 PolarHBondContact O-N 3.39Å; T342-Q344 PolarHBondContact O-N 3.47Å; T342-V345 PolarHBondContact O-N 2.86Å; T342-V346 WeakPolarHBondContact O-CG2 3.35Å; T342-V346 PolarHBondContact O-N 3.15Å
343K87.2Confident85.4Confident37 Ų3758.4 Ų58.416%0.16128%0.276CS..Hα-helixtrans-57.6-47.8176.7-72.4173.7157.3-159.60111.7E285 D286 D287 K339 Q340 I341 V345 V346 H347E285-K343 PolarHBondContact O-NZ 2.92Å; D286-K343 WeakPolarHBondContact OD1-CD 3.37Å; D286-K343 WeakPolarHBondContact OD1-CE 3.38Å; D286-K343 IonicContact OD1-NZ 2.86Å; D286-K343 PolarHBondContact OD1-NZ 3.12Å; D287-K343 IonicContact OD1-NZ 2.91Å; D287-K343 PolarHBondContact OD1-NZ 3.27Å; K339-K343 WeakPolarHBondContact O-CG 3.24Å; K339-K343 PolarHBondContact O-N 3.36Å; K339-K343 VanDerWaalsContact O-N 3.12Å; Q340-K343 PolarHBondContact O-N 3.43Å; I341-K343 VanDerWaalsContact C-N 3.35Å; I341-K343 PolarHBondContact O-N 3.37Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 3.14Å; K343-V346 WeakPolarHBondContact O-CB 3.47Å; K343-V346 PolarHBondContact O-N 2.98Å; K343-H347 PolarHBondContact O-CD2 3.31Å; K343-H347 PolarHBondContact O-N 2.99Å; K343-H347 VanDerWaalsContact O-N 3.13Å
344Q86.6Confident86.4Confident10 Ų1052.1 Ų52.15%0.04725%0.249CC..Hα-helixtrans-61.3-40177.9-75.2176.7-16.700113.1L288 M308 Q340 I341 T342 V346 H347 L348L288-Q344 HydrophobicContact CD2-CB 4.37Å; L288-Q344 HydrophobicContact CD2-CG 3.63Å; M308-Q344 HydrophobicContact CG-CB 4.38Å; M308-Q344 VanDerWaalsContact CG-OE1 3.32Å; Q340-Q344 PolarHBondContact O-N 3.08Å; Q340-Q344 VanDerWaalsContact O-N 3.07Å; I341-Q344 PolarHBondContact O-N 3.02Å; T342-Q344 PolarHBondContact O-N 3.47Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; Q344-H347 PolarHBondContact O-N 2.8Å; Q344-L348 WeakPolarHBondContact O-CB 3.32Å; Q344-L348 PolarHBondContact O-N 3Å
345V87Confident87.5Confident9 Ų951.5 Ų51.56%0.05525%0.246CC..Hα-helixtrans-62.9-41.3176.11700000110.9L324 L327 I341 T342 K343 L348 N349L324-V345 HydrophobicContact CD2-CG1 4.24Å; L327-V345 HydrophobicContact CB-CG2 4.01Å; L327-V345 HydrophobicContact CD1-CG2 3.92Å; I341-V345 HydrophobicContact CG2-CG2 4.25Å; I341-V345 VanDerWaalsContact O-CG2 3.32Å; I341-V345 WeakPolarHBondContact O-CG2 3.34Å; I341-V345 PolarHBondContact O-N 2.74Å; T342-V345 PolarHBondContact O-N 2.86Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 3.14Å; V345-L348 PolarHBondContact O-N 3.17Å; V345-N349 WeakPolarHBondContact CG1-ND2 3.23Å; V345-N349 PolarHBondContact O-N 3.33Å; V345-N349 PolarHBondContact O-ND2 3.19Å
346V92.1Very high88.3Confident9 Ų951.1 Ų51.16%0.05524%0.239CC..Hα-helixtrans-57.1-54175171.60000110.3Y269 Y271 A280 T342 K343 Q344 L348 N349 L350Y269-V346 HydrophobicContact CD1-CG1 4.15Å; Y269-V346 HydrophobicContact CE1-CG1 4.48Å; Y271-V346 HydrophobicContact CE1-CG2 3.9Å; Y271-V346 WeakPolarHBondContact OH-CG2 3.43Å; A280-V346 HydrophobicContact CB-CB 4.4Å; A280-V346 HydrophobicContact CB-CG1 3.57Å; A280-V346 HydrophobicContact CB-CG2 3.86Å; T342-V346 WeakPolarHBondContact O-CG2 3.35Å; T342-V346 PolarHBondContact O-N 3.15Å; K343-V346 WeakPolarHBondContact O-CB 3.47Å; K343-V346 PolarHBondContact O-N 2.98Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 2.92Å; V346-N349 PolarHBondContact O-N 3.47Å; V346-L350 WeakPolarHBondContact O-CB 3.43Å; V346-L350 PolarHBondContact O-N 2.53Å
347H93Very high89.1Confident0 Ų046.4 Ų46.40%022%0.216CC..Hα-helixtrans-67.4-29.3-177.3-68.1-60.6000113.5F254 D286 L288 W289 I292 I304 K343 Q344 A351F254-H347 AromaticContact CE1-ND1 3.94Å; D286-H347 IonicContact OD2-CD2 2.93Å; D286-H347 IonicContact OD2-CE1 2.8Å; D286-H347 IonicContact OD2-NE2 2.73Å; D286-H347 PolarHBondContact OD2-NE2 3.28Å; L288-H347 HydrophobicContact CD2-CB 4.42Å; W289-H347 AromaticContact CE3-CE1 3.54Å; W289-H347 AromaticContact CE3-ND1 3.78Å; I292-H347 HydrophobicContact CD1-CB 4.03Å; I304-H347 HydrophobicContact CD1-CB 3.87Å; K343-H347 PolarHBondContact O-CD2 3.31Å; K343-H347 PolarHBondContact O-N 2.99Å; K343-H347 VanDerWaalsContact O-N 3.13Å; Q344-H347 PolarHBondContact O-N 2.8Å; H347-A351 VanDerWaalsContact O-CB 3.32Å; H347-A351 WeakPolarHBondContact O-CB 3.42Å; H347-A351 PolarHBondContact O-N 3.29Å
348L90.3Very high90Very high36 Ų3643.6 Ų43.619%0.18820%0.204CC..Hα-helixtrans-66.8-47.9173.2-173.669.8000111.4I304 M308 L324 L327 Q344 V345 V346 L350 A351 E352I304-L348 HydrophobicContact CG2-CB 4.44Å; I304-L348 HydrophobicContact CG2-CD1 4.49Å; M308-L348 HydrophobicContact CE-CB 4.45Å; M308-L348 HydrophobicContact CE-CD1 3.97Å; M308-L348 HydrophobicContact CE-CD2 3.86Å; M308-L348 HydrophobicContact CE-CG 4.32Å; L324-L348 HydrophobicContact CD1-CD2 4.25Å; L327-L348 HydrophobicContact CD1-CD2 4.14Å; Q344-L348 WeakPolarHBondContact O-CB 3.32Å; Q344-L348 PolarHBondContact O-N 3Å; V345-L348 PolarHBondContact O-N 3.17Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 2.92Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.34Å; L348-A351 PolarHBondContact O-N 3.31Å; L348-E352 WeakPolarHBondContact O-CB 3.31Å; L348-E352 PolarHBondContact O-N 3.18Å
349N92.3Very high90.6Very high14 Ų1442.9 Ų42.98%0.07521%0.205CC..Hα-helixtrans-62.2-42.4175.6-73-71000110.8Y269 Y271 V345 V346 A351 E352 D353Y269-N349 PolarHBondContact OH-O 3.25Å; Y271-N349 HydrophobicContact CD2-CB 4.22Å; V345-N349 WeakPolarHBondContact CG1-ND2 3.23Å; V345-N349 PolarHBondContact O-N 3.33Å; V345-N349 PolarHBondContact O-ND2 3.19Å; V346-N349 PolarHBondContact O-N 3.47Å; N349-A351 PolarHBondContact O-N 3.45Å; N349-E352 PolarHBondContact O-N 3.38Å; N349-D353 WeakPolarHBondContact O-CB 3.47Å; N349-D353 PolarHBondContact O-N 3Å
350L95.7Very high90.8Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-58.7-46.6177.2-176.164.8000111.5F254 A258 L262 I264 Y269 L282 W289 V346 L348 D353 C354F254-L350 HydrophobicContact CE1-CD2 4.07Å; F254-L350 HydrophobicContact CE2-CD2 4.17Å; F254-L350 HydrophobicContact CE2-CG 4.01Å; F254-L350 HydrophobicContact CZ-CB 4.07Å; F254-L350 HydrophobicContact CZ-CD2 3.59Å; F254-L350 HydrophobicContact CZ-CG 3.78Å; A258-L350 HydrophobicContact CB-CD1 4.17Å; A258-L350 HydrophobicContact CB-CD2 4.48Å; A258-L350 HydrophobicContact CB-CG 4.45Å; L262-L350 HydrophobicContact CD1-CD1 3.45Å; L262-L350 VanDerWaalsContact CD1-CD1 3.45Å; I264-L350 HydrophobicContact CD1-CD1 4.23Å; Y269-L350 HydrophobicContact CD1-CB 4.29Å; Y269-L350 HydrophobicContact CD1-CD1 3.95Å; Y269-L350 HydrophobicContact CD2-CD1 3.73Å; Y269-L350 HydrophobicContact CE1-CB 3.77Å; Y269-L350 HydrophobicContact CE1-CD1 3.92Å; Y269-L350 HydrophobicContact CE1-CG 4.43Å; Y269-L350 HydrophobicContact CE2-CD1 3.73Å; Y269-L350 HydrophobicContact CG-CD1 3.85Å; Y269-L350 WeakPolarHBondContact OH-CA 3.25Å; Y269-L350 PolarHBondContact OH-N 2.85Å; L282-L350 HydrophobicContact CD1-CD2 4.23Å; L282-L350 HydrophobicContact CD2-CD2 4.18Å; W289-L350 HydrophobicContact CZ3-CD2 3.94Å; V346-L350 WeakPolarHBondContact O-CB 3.43Å; V346-L350 PolarHBondContact O-N 2.53Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.34Å; L350-D353 PolarHBondContact O-N 2.84Å; L350-C354 WeakPolarHBondContact O-CB 3.26Å; L350-C354 PolarHBondContact O-N 3.03Å; L350-C354 PolarHBondContact O-SG 2.93Å
351A95.4Very high91Very high0 Ų039.9 Ų39.90%020%0.198CC..Hα-helixtrans-65.8-38.9176.500000112.6F254 I297 L301 I304 H347 L348 N349 M355F254-A351 HydrophobicContact CE2-CB 3.88Å; F254-A351 HydrophobicContact CZ-CB 4.18Å; I297-A351 HydrophobicContact CD1-CB 4.12Å; L301-A351 HydrophobicContact CD2-CB 3.96Å; I304-A351 HydrophobicContact CD1-CB 4.44Å; H347-A351 VanDerWaalsContact O-CB 3.32Å; H347-A351 WeakPolarHBondContact O-CB 3.42Å; H347-A351 PolarHBondContact O-N 3.29Å; L348-A351 PolarHBondContact O-N 3.31Å; N349-A351 PolarHBondContact O-N 3.45Å; A351-M355 WeakPolarHBondContact O-CB 3.17Å; A351-M355 VanDerWaalsContact O-CG 3.29Å; A351-M355 WeakPolarHBondContact O-CG 3.47Å; A351-M355 PolarHBondContact O-N 3.26Å
352E92.9Very high91.6Very high92 Ų9240 Ų4043%0.4320%0.198SC..Hα-helixtrans-63.9-46.3176-174.1173.2176.300111.6L348 N349 C354 M355 N356L348-E352 WeakPolarHBondContact O-CB 3.31Å; L348-E352 PolarHBondContact O-N 3.18Å; N349-E352 PolarHBondContact O-N 3.38Å; E352-C354 PolarHBondContact O-N 2.54Å; E352-M355 PolarHBondContact O-N 3.44Å; E352-M355 VanDerWaalsContact O-N 3.16Å; E352-N356 WeakPolarHBondContact O-CB 3.26Å; E352-N356 PolarHBondContact O-N 3.14Å; E352-N356 PolarHBondContact O-ND2 3.1Å
353D95Very high92Very high54 Ų5442 Ų4229%0.28920%0.204SC..Hα-helixtrans-62.1-43177.5-75.7-13.3000111.9L262 Y269 N349 L350 M355 N356 K357L262-D353 HydrophobicContact CD1-CB 3.97Å; L262-D353 HydrophobicContact CD2-CB 3.9Å; Y269-D353 PolarHBondContact OH-OD2 3.39Å; N349-D353 WeakPolarHBondContact O-CB 3.47Å; N349-D353 PolarHBondContact O-N 3Å; L350-D353 PolarHBondContact O-N 2.84Å; D353-M355 PolarHBondContact O-N 2.97Å; D353-N356 PolarHBondContact O-N 3.1Å; D353-K357 PolarHBondContact O-N 3.08Å; D353-K357 VanDerWaalsContact O-N 3.15Å
354C96.5Very high92.1Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-57.1-48.2171.9-76.60000111.3M257 L350 E352 N356 K357 F358M257-C354 HydrophobicContact CE-CB 3.91Å; M257-C354 WeakPolarHBondContact CE-O 3.31Å; M257-C354 HydrophobicContact CG-CB 4.44Å; M257-C354 HydrophobicContact SD-CB 4.07Å; L350-C354 WeakPolarHBondContact O-CB 3.26Å; L350-C354 PolarHBondContact O-N 3.03Å; L350-C354 PolarHBondContact O-SG 2.93Å; E352-C354 PolarHBondContact O-N 2.54Å; C354-N356 PolarHBondContact O-N 2.85Å; C354-K357 PolarHBondContact O-N 2.8Å; C354-F358 WeakPolarHBondContact O-CB 3.4Å; C354-F358 PolarHBondContact O-N 2.77Å
355M94.9Very high92.5Very high25 Ų2547.6 Ų47.612%0.12323%0.228CC..Hα-helixtrans-69.1-33.1-178.6-73.7-54.1-59.100113.6I297 L301 A351 E352 D353 F358 K359I297-M355 HydrophobicContact CG1-CG 4.14Å; I297-M355 HydrophobicContact CG1-SD 3.56Å; I297-M355 VanDerWaalsContact CG1-SD 3.56Å; I297-M355 HydrophobicContact CG2-SD 4.3Å; L301-M355 HydrophobicContact CD1-CE 4.25Å; L301-M355 HydrophobicContact CD1-CG 3.63Å; L301-M355 HydrophobicContact CD1-SD 3.8Å; L301-M355 HydrophobicContact CD2-CG 4.05Å; L301-M355 HydrophobicContact CG-CG 4.32Å; A351-M355 WeakPolarHBondContact O-CB 3.17Å; A351-M355 VanDerWaalsContact O-CG 3.29Å; A351-M355 WeakPolarHBondContact O-CG 3.47Å; A351-M355 PolarHBondContact O-N 3.26Å; E352-M355 PolarHBondContact O-N 3.44Å; E352-M355 VanDerWaalsContact O-N 3.16Å; D353-M355 PolarHBondContact O-N 2.97Å; M355-F358 HydrophobicContact CE-CD1 3.72Å; M355-F358 HydrophobicContact CE-CE1 4.34Å; M355-F358 PolarHBondContact O-N 2.92Å; M355-F358 HydrophobicContact SD-CD1 4.26Å; M355-K359 HydrophobicContact CE-CD 4.47Å; M355-K359 HydrophobicContact CE-CG 4.23Å; M355-K359 WeakPolarHBondContact O-CB 3.42Å; M355-K359 WeakPolarHBondContact O-CG 3.43Å; M355-K359 PolarHBondContact O-N 3.19Å
356N94.4Very high92.9Very high80 Ų8047.1 Ų47.143%0.42823%0.226SC..Hα-helixtrans-62.8-45.5174.9-73.4-24.9000110.3E352 D353 C354 L360E352-N356 WeakPolarHBondContact O-CB 3.26Å; E352-N356 PolarHBondContact O-N 3.14Å; E352-N356 PolarHBondContact O-ND2 3.1Å; D353-N356 PolarHBondContact O-N 3.1Å; C354-N356 PolarHBondContact O-N 2.85Å; N356-L360 WeakPolarHBondContact O-CD1 3.37Å; N356-L360 WeakPolarHBondContact O-CG 2.98Å
357K93.3Very high92.9Very high83 Ų8352.6 Ų52.636%0.36125%0.249SC..Hα-helixtrans-66.7-41.4173.4-68.5-164.8-179.8-168.90112.3L261 L262 D353 C354 K359 L360L261-K357 HydrophobicContact CB-CD 4.14Å; L261-K357 HydrophobicContact CD1-CB 4.32Å; L261-K357 WeakPolarHBondContact O-CD 3.47Å; L261-K357 WeakPolarHBondContact O-CE 3.26Å; L261-K357 PolarHBondContact O-NZ 2.87Å; L262-K357 HydrophobicContact CD2-CD 3.88Å; D353-K357 PolarHBondContact O-N 3.08Å; D353-K357 VanDerWaalsContact O-N 3.15Å; C354-K357 PolarHBondContact O-N 2.8Å; K357-K359 PolarHBondContact O-N 2.87Å; K357-L360 PolarHBondContact O-N 3.45Å
358F94.2Very high93Very high16 Ų1653.6 Ų53.67%0.0726%0.255CS..Iπ-helixtrans-59.1-49.9-178.3178.9-104.8000113.4L252 M257 C354 M355 L360 I362 E363 L471L252-F358 HydrophobicContact CD1-CE2 4.04Å; L252-F358 HydrophobicContact CD1-CZ 4.29Å; L252-F358 HydrophobicContact CD2-CD2 3.85Å; L252-F358 HydrophobicContact CD2-CE2 3.56Å; L252-F358 HydrophobicContact CD2-CZ 4.48Å; L252-F358 HydrophobicContact CG-CE2 4.49Å; M257-F358 HydrophobicContact CE-CB 3.51Å; M257-F358 HydrophobicContact CE-CD2 3.99Å; M257-F358 HydrophobicContact CE-CG 3.91Å; C354-F358 WeakPolarHBondContact O-CB 3.4Å; C354-F358 PolarHBondContact O-N 2.77Å; M355-F358 HydrophobicContact CE-CD1 3.72Å; M355-F358 HydrophobicContact CE-CE1 4.34Å; M355-F358 PolarHBondContact O-N 2.92Å; M355-F358 HydrophobicContact SD-CD1 4.26Å; F358-L360 VanDerWaalsContact C-N 3.28Å; F358-L360 PolarHBondContact O-N 3.17Å; F358-I362 HydrophobicContact CD2-CB 4.27Å; F358-I362 HydrophobicContact CD2-CG2 4.08Å; F358-I362 PolarHBondContact O-N 3.08Å; F358-E363 HydrophobicContact CD1-CB 4.19Å; F358-E363 HydrophobicContact CE1-CB 3.7Å; F358-E363 HydrophobicContact CE1-CG 3.78Å; F358-E363 HydrophobicContact CE2-CB 4.05Å; F358-E363 HydrophobicContact CZ-CB 3.63Å; F358-E363 HydrophobicContact CZ-CG 3.7Å; F358-E363 PolarHBondContact O-N 3.33Å; F358-L471 HydrophobicContact CZ-CD1 3.91Å
359K92.2Very high93.3Very high140 Ų14051.9 Ų51.961%0.60925%0.246SC*.Iπ-helixtrans-70.3-19.8-175.3-71.9179179.5177.80114.1M355 K357M355-K359 HydrophobicContact CE-CD 4.47Å; M355-K359 HydrophobicContact CE-CG 4.23Å; M355-K359 WeakPolarHBondContact O-CB 3.42Å; M355-K359 WeakPolarHBondContact O-CG 3.43Å; M355-K359 PolarHBondContact O-N 3.19Å; K357-K359 PolarHBondContact O-N 2.87Å
360L87.6Confident93.4Very high138 Ų13851.4 Ų51.472%0.72324%0.243SC*.Iπ-helixtrans-70.4-52.3-177.8-74.3167.8000111.6N356 K357 F358N356-L360 WeakPolarHBondContact O-CD1 3.37Å; N356-L360 WeakPolarHBondContact O-CG 2.98Å; K357-L360 PolarHBondContact O-N 3.45Å; F358-L360 VanDerWaalsContact C-N 3.28Å; F358-L360 PolarHBondContact O-N 3.17Å
361N85.7Confident93.4Very high36 Ų3652.1 Ų52.119%0.19325%0.247CC..Iπ-helixtrans-150.9-22.2-172.460.4-10000114.5N398 H399N361-N398 PolarHBondContact ND2-O 3.42Å; N361-H399 PolarHBondContact O-NE2 3.3Å
362I92.3Very high93.4Very high7 Ų752.2 Ų52.24%0.03625%0.247CC..Iπ-helixtrans-75.3-33.5-175.1-54.6-55.9000112.6H250 L261 F358 K364 L365 C366H250-I362 HydrophobicContact CB-CG2 4.22Å; L261-I362 HydrophobicContact CD2-CG1 4.16Å; F358-I362 HydrophobicContact CD2-CB 4.27Å; F358-I362 HydrophobicContact CD2-CG2 4.08Å; F358-I362 PolarHBondContact O-N 3.08Å; I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 2.92Å; I362-L365 HydrophobicContact CD1-CD2 4.22Å; I362-L365 CarbonylContact O-C 3.53Å; I362-L365 WeakPolarHBondContact O-CA 3.43Å; I362-L365 WeakPolarHBondContact O-CB 3.07Å; I362-L365 PolarHBondContact O-N 2.91Å; I362-C366 PolarHBondContact O-N 3.03Å; I362-C366 PolarHBondContact O-SG 2.87Å
363E93Very high93.5Very high96 Ų9648.4 Ų48.445%0.44923%0.232SC..Hα-helixtrans-53.8-45.3179.9-179.7177-172.300112.8F358 L471F358-E363 HydrophobicContact CD1-CB 4.19Å; F358-E363 HydrophobicContact CE1-CB 3.7Å; F358-E363 HydrophobicContact CE1-CG 3.78Å; F358-E363 HydrophobicContact CE2-CB 4.05Å; F358-E363 HydrophobicContact CZ-CB 3.63Å; F358-E363 HydrophobicContact CZ-CG 3.7Å; F358-E363 PolarHBondContact O-N 3.33Å; E363-L471 HydrophobicContact CG-CD1 4.27Å
364K90.6Very high93.4Very high164 Ų16448 Ų4871%0.71323%0.23SC*.Hα-helixtrans-69.4-35.4177-67.3-179.7-178.7175.60112.1I362 K367I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 2.92Å; K364-K367 PolarHBondContact O-N 3.33Å
365L93.8Very high93.1Very high0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-65.3-47.3178179.859.1000110.8H250 I362 K367 T368 E369 V393 D403 A407H250-L365 WeakPolarHBondContact CE1-CD2 3.35Å; I362-L365 HydrophobicContact CD1-CD2 4.22Å; I362-L365 CarbonylContact O-C 3.53Å; I362-L365 WeakPolarHBondContact O-CA 3.43Å; I362-L365 WeakPolarHBondContact O-CB 3.07Å; I362-L365 PolarHBondContact O-N 2.91Å; L365-K367 PolarHBondContact O-N 3.2Å; L365-K367 VanDerWaalsContact O-N 3.17Å; L365-T368 PolarHBondContact O-N 2.92Å; L365-T368 PolarHBondContact O-OG1 2.99Å; L365-E369 HydrophobicContact CD1-CG 4.01Å; L365-E369 HydrophobicContact CG-CG 4.03Å; L365-E369 WeakPolarHBondContact CG-OE1 3.34Å; L365-E369 WeakPolarHBondContact O-CG 3.44Å; L365-E369 PolarHBondContact O-N 3.06Å; L365-V393 HydrophobicContact CD1-CB 4.46Å; L365-V393 HydrophobicContact CD1-CG1 3.58Å; L365-V393 HydrophobicContact CD1-CG2 3.99Å; L365-D403 HydrophobicContact CD2-CB 3.76Å; L365-A407 HydrophobicContact CD1-CB 4.39Å
366C95.5Very high93Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-53.8-39.4177.4-700000112.1I362 T368 E369 Q370 L471I362-C366 PolarHBondContact O-N 3.03Å; I362-C366 PolarHBondContact O-SG 2.87Å; C366-T368 PolarHBondContact O-N 3.03Å; C366-E369 PolarHBondContact O-N 2.89Å; C366-Q370 WeakPolarHBondContact O-CB 3.2Å; C366-Q370 WeakPolarHBondContact O-CG 3.4Å; C366-Q370 PolarHBondContact O-N 3.36Å; C366-L471 HydrophobicContact CB-CB 4.35Å; C366-L471 HydrophobicContact CB-CD2 4.35Å
367K93Very high92.8Very high123 Ų12348.1 Ų48.154%0.53524%0.239SC..Hα-helixtrans-58-52.8176.5-175.5176.5179.3174.40111.2K364 L365 E369 Q370 D371 L471K364-K367 PolarHBondContact O-N 3.33Å; L365-K367 PolarHBondContact O-N 3.2Å; L365-K367 VanDerWaalsContact O-N 3.17Å; K367-E369 VanDerWaalsContact C-N 3.34Å; K367-E369 PolarHBondContact O-N 3.32Å; K367-Q370 PolarHBondContact O-N 2.75Å; K367-D371 VanDerWaalsContact O-CG 3.29Å; K367-D371 PolarHBondContact O-N 3.41Å; K367-D371 VanDerWaalsContact O-N 3.17Å; K367-L471 HydrophobicContact CB-CD2 3.84Å
368T94Very high92.5Very high22 Ų2245.7 Ų45.714%0.13523%0.234CC..Hα-helixtrans-65.1-37.3179.450.60000112.6L365 C366 D371 L372 V389 V393L365-T368 PolarHBondContact O-N 2.92Å; L365-T368 PolarHBondContact O-OG1 2.99Å; C366-T368 PolarHBondContact O-N 3.03Å; T368-D371 PolarHBondContact O-N 2.82Å; T368-L372 WeakPolarHBondContact O-CB 3.35Å; T368-L372 VanDerWaalsContact O-CG 3.24Å; T368-L372 WeakPolarHBondContact O-CG 2.83Å; T368-L372 PolarHBondContact O-N 3.22Å; T368-V389 HydrophobicContact CG2-CG1 4.07Å; T368-V393 HydrophobicContact CG2-CG2 3.99Å; T368-V393 VanDerWaalsContact OG1-CG2 3.26Å; T368-V393 WeakPolarHBondContact OG1-CG2 3.38Å
369E96.2Very high92.2Very high0 Ų051.3 Ų51.30%026%0.261CS..Hα-helixtrans-64.3-43.4178.1-73.2-169.1172.300112.2L249 H250 L365 C366 K367 L372 A373 L410L249-E369 HydrophobicContact CD2-CB 3.79Å; H250-E369 WeakPolarHBondContact CB-OE2 3.35Å; H250-E369 IonicContact CE1-OE1 3.14Å; H250-E369 PolarHBondContact CE1-OE1 3.5Å; H250-E369 IonicContact CG-OE1 3.5Å; H250-E369 IonicContact CG-OE2 2.73Å; H250-E369 PolarHBondContact N-OE2 3.16Å; H250-E369 VanDerWaalsContact ND1-CD 3.31Å; H250-E369 IonicContact ND1-OE1 3.6Å; H250-E369 PolarHBondContact ND1-OE1 3.07Å; H250-E369 IonicContact ND1-OE2 3.41Å; H250-E369 PolarHBondContact ND1-OE2 3.18Å; L365-E369 HydrophobicContact CD1-CG 4.01Å; L365-E369 HydrophobicContact CG-CG 4.03Å; L365-E369 WeakPolarHBondContact CG-OE1 3.34Å; L365-E369 WeakPolarHBondContact O-CG 3.44Å; L365-E369 PolarHBondContact O-N 3.06Å; C366-E369 PolarHBondContact O-N 2.89Å; K367-E369 VanDerWaalsContact C-N 3.34Å; K367-E369 PolarHBondContact O-N 3.32Å; E369-L372 PolarHBondContact O-N 2.92Å; E369-A373 VanDerWaalsContact O-CB 3.22Å; E369-A373 WeakPolarHBondContact O-CB 3.33Å; E369-A373 PolarHBondContact O-N 3.44Å; E369-L410 HydrophobicContact CB-CD1 3.69Å; E369-L410 HydrophobicContact CG-CD1 3.54Å
370Q95.5Very high91.9Very high3 Ų347.2 Ų47.21%0.01426%0.258CS..Hα-helixtrans-65.7-41.6178.3-66.1-68.1-49.300111.4C366 K367 L372 A373 L374 L471 R473C366-Q370 WeakPolarHBondContact O-CB 3.2Å; C366-Q370 WeakPolarHBondContact O-CG 3.4Å; C366-Q370 PolarHBondContact O-N 3.36Å; K367-Q370 PolarHBondContact O-N 2.75Å; Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 2.74Å; Q370-A373 PolarHBondContact O-N 2.68Å; Q370-L374 WeakPolarHBondContact O-CB 3.41Å; Q370-L374 PolarHBondContact O-N 3.08Å; Q370-L471 WeakPolarHBondContact CG-O 3.27Å; Q370-R473 VanDerWaalsContact CB-NH2 3.29Å
371D95.3Very high92Very high16 Ų1646.7 Ų46.79%0.08625%0.252CS..Hα-helixtrans-62.2-40.3176.1-66.6-10.6000111.5K367 T368 G375 D377 V383 V389 R473K367-D371 VanDerWaalsContact O-CG 3.29Å; K367-D371 PolarHBondContact O-N 3.41Å; K367-D371 VanDerWaalsContact O-N 3.17Å; T368-D371 PolarHBondContact O-N 2.82Å; D371-G375 VanDerWaalsContact O-CA 3.23Å; D371-G375 WeakPolarHBondContact O-CA 3.4Å; D371-G375 PolarHBondContact O-N 3.07Å; D371-D377 WeakPolarHBondContact OD1-CA 3.27Å; D371-V383 HydrophobicContact CB-CG2 4.31Å; D371-V389 HydrophobicContact CB-CG1 4.1Å; D371-R473 IonicContact OD1-CZ 2.77Å; D371-R473 IonicContact OD1-NH1 3.93Å; D371-R473 IonicContact OD1-NH2 2.76Å; D371-R473 PolarHBondContact OD1-NH2 2.87Å
372L95.8Very high92.3Very high1 Ų153.5 Ų53.51%0.00528%0.28CS..Hα-helixtrans-71.3-42.6176.8-70.4173000112.6T368 E369 Q370 V389 L390 L410 S414T368-L372 WeakPolarHBondContact O-CB 3.35Å; T368-L372 VanDerWaalsContact O-CG 3.24Å; T368-L372 WeakPolarHBondContact O-CG 2.83Å; T368-L372 PolarHBondContact O-N 3.22Å; E369-L372 PolarHBondContact O-N 2.92Å; Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 2.74Å; L372-V389 HydrophobicContact CD2-CB 4.21Å; L372-V389 HydrophobicContact CD2-CG1 4.26Å; L372-V389 HydrophobicContact CG-CG1 4.09Å; L372-L390 HydrophobicContact CD1-CD1 4.35Å; L372-L410 HydrophobicContact CB-CB 4.15Å; L372-L410 HydrophobicContact CD1-CB 4.39Å; L372-S414 WeakPolarHBondContact O-CB 3.4Å
373A94.9Very high92.3Very high13 Ų1354.6 Ų54.611%0.10729%0.287CS..Hα-helixtrans-65.4-44.6-178.600000112.1V245 L249 E369 Q370 L410 W474V245-A373 HydrophobicContact CG1-CB 3.74Å; L249-A373 HydrophobicContact CD1-CB 4.12Å; L249-A373 HydrophobicContact CD2-CB 4.06Å; E369-A373 VanDerWaalsContact O-CB 3.22Å; E369-A373 WeakPolarHBondContact O-CB 3.33Å; E369-A373 PolarHBondContact O-N 3.44Å; Q370-A373 PolarHBondContact O-N 2.68Å; A373-L410 HydrophobicContact CB-CD2 4.35Å; A373-W474 HydrophobicContact CB-CD2 4.33Å; A373-W474 HydrophobicContact CB-CE3 3.8Å; A373-W474 HydrophobicContact CB-CZ3 4.31Å; A373-W474 WeakPolarHBondContact O-CZ3 3.44Å
374L92.1Very high92Very high45 Ų4560 Ų6024%0.23631%0.309CS..Hα-helixtrans-86.8-21.8-179.6-66.9171.7000113.3Q370 T376 R473 W474Q370-L374 WeakPolarHBondContact O-CB 3.41Å; Q370-L374 PolarHBondContact O-N 3.08Å; L374-T376 PolarHBondContact O-N 3.19Å; L374-R473 HydrophobicContact CD1-CB 3.36Å; L374-R473 HydrophobicContact CD1-CG 4.41Å; L374-W474 HydrophobicContact CD2-CE3 3.75Å; L374-W474 HydrophobicContact CD2-CZ3 4.31Å; L374-W474 HydrophobicContact CG-CE3 4.28Å
375G91.4Very high92Very high28 Ų2855.4 Ų55.429%0.28929%0.292SS..SBendtrans67.813.9-170.800000113.5D371 V383D371-G375 VanDerWaalsContact O-CA 3.23Å; D371-G375 WeakPolarHBondContact O-CA 3.4Å; D371-G375 PolarHBondContact O-N 3.07Å; G375-V383 PolarHBondContact O-N 3.41Å
376T91.4Very high92Very high40 Ų4056.3 Ų56.325%0.24530%0.298CS..BIsolated β-bridgetrans-136.5144.1177.849.90000110.6L374 Q381 K382 R473L374-T376 PolarHBondContact O-N 3.19Å; T376-Q381 CarbonylContact C-O 3.54Å; T376-Q381 WeakPolarHBondContact CA-O 3.48Å; T376-K382 HydrophobicContact CG2-CG 4.31Å; T376-R473 PolarHBondContact O-NH1 2.74Å
377D90.5Very high91.9Very high39 Ų3958 Ų5821%0.20931%0.307CS..  trans-75.2177.2174.665.318000112.3D371 E379 G380 Q381 R473D371-D377 WeakPolarHBondContact OD1-CA 3.27Å; D377-E379 PolarHBondContact O-N 2.67Å; D377-E379 VanDerWaalsContact O-N 3.15Å; D377-E379 WeakPolarHBondContact OD1-CA 3.33Å; D377-E379 WeakPolarHBondContact OD1-CB 3.15Å; D377-E379 PolarHBondContact OD1-N 3.1Å; D377-E379 VanDerWaalsContact OD1-N 3.11Å; D377-G380 PolarHBondContact O-N 3.23Å; D377-G380 PolarHBondContact OD1-N 2.82Å; D377-G380 VanDerWaalsContact OD1-N 3.08Å; D377-Q381 PolarHBondContact N-O 3.49Å; D377-Q381 WeakPolarHBondContact OD1-CA 3.38Å; D377-Q381 WeakPolarHBondContact OD1-CB 3.26Å; D377-Q381 PolarHBondContact OD1-N 3.23Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.46Å; D377-R473 PolarHBondContact O-NH1 2.69Å
378A88Confident91.8Very high32 Ų3261 Ų6126%0.26432%0.315SS..THydrogen-bonded Turntrans-63.2-18.2-17800000113.1Q470A378-Q470 HydrophobicContact CB-CB 4.4Å; A378-Q470 HydrophobicContact CB-CG 4.34Å
379E87.2Confident91.8Very high135 Ų13561.3 Ų61.363%0.63132%0.316SS*.THydrogen-bonded Turntrans-92.10.9176-62.572.8-157.400112.6D377 Q381D377-E379 PolarHBondContact O-N 2.67Å; D377-E379 VanDerWaalsContact O-N 3.15Å; D377-E379 WeakPolarHBondContact OD1-CA 3.33Å; D377-E379 WeakPolarHBondContact OD1-CB 3.15Å; D377-E379 PolarHBondContact OD1-N 3.1Å; D377-E379 VanDerWaalsContact OD1-N 3.11Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 HydrophobicContact CB-CG 4.32Å
380G85.5Confident91.7Very high53 Ų5361.3 Ų61.355%0.54632%0.316SS..SBendtrans80.29.6179.800000114.2D377D377-G380 PolarHBondContact O-N 3.23Å; D377-G380 PolarHBondContact OD1-N 2.82Å; D377-G380 VanDerWaalsContact OD1-N 3.08Å
381Q90.1Very high91.5Very high128 Ų12864.9 Ų64.960%0.59834%0.335SS*.  trans-80.7139.6177.2-47.9-173.48.100110.5T376 D377 E379 V383T376-Q381 CarbonylContact C-O 3.54Å; T376-Q381 WeakPolarHBondContact CA-O 3.48Å; D377-Q381 PolarHBondContact N-O 3.49Å; D377-Q381 WeakPolarHBondContact OD1-CA 3.38Å; D377-Q381 WeakPolarHBondContact OD1-CB 3.26Å; D377-Q381 PolarHBondContact OD1-N 3.23Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.46Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 HydrophobicContact CB-CG 4.32Å; Q381-V383 PolarHBondContact O-N 3.22Å
382K91.8Very high91.4Very high178 Ų17868 Ų6877%0.77436%0.356SS*.BIsolated β-bridgetrans-64.2130.4178.4-69.6-171.7177.1-175.60111.4T376 K384T376-K382 HydrophobicContact CG2-CG 4.31Å; K382-K384 PolarHBondContact O-N 2.73Å; K382-K384 VanDerWaalsContact O-N 3.16Å
383V91.9Very high91.2Very high31 Ų3168.1 Ų68.119%0.18836%0.357CS..  trans-68.3111.2171.3177.40000108.5D371 G375 Q381 V389D371-V383 HydrophobicContact CB-CG2 4.31Å; G375-V383 PolarHBondContact O-N 3.41Å; Q381-V383 PolarHBondContact O-N 3.22Å; V383-V389 HydrophobicContact CG1-CG2 3.7Å
384K87.9Confident91Very high210 Ų21068.4 Ų68.491%0.91336%0.356SS*.SBendtrans-77-36.1-178-66.2-176.1-178.4177.60113.3K382K382-K384 PolarHBondContact O-N 2.73Å; K382-K384 VanDerWaalsContact O-N 3.16Å
385D91.1Very high90.9Very high66 Ų6672.9 Ų72.935%0.35338%0.38SS..  trans-134.890.2-175.7-174.4-13.6000109.1M387 R388D385-M387 PolarHBondContact O-N 3.35Å; D385-M387 WeakPolarHBondContact OD1-CB 3.44Å; D385-M387 PolarHBondContact OD1-N 3.36Å; D385-M387 VanDerWaalsContact OD1-N 3.15Å; D385-R388 HydrophobicContact CB-CB 4.4Å; D385-R388 HydrophobicContact CB-CG 4.14Å; D385-R388 PolarHBondContact O-N 3.14Å; D385-R388 VanDerWaalsContact O-N 3.16Å; D385-R388 PolarHBondContact OD1-N 2.95Å; D385-R388 WeakPolarHBondContact OD2-CD 3.25Å; D385-R388 VanDerWaalsContact OD2-CG 3.3Å; D385-R388 WeakPolarHBondContact OD2-CG 3.5Å; D385-R388 IonicContact OD2-CZ 3.71Å; D385-R388 IonicContact OD2-NE 2.71Å; D385-R388 PolarHBondContact OD2-NE 3.43Å
386S92.7Very high90.8Very high19 Ų1973.8 Ų73.813%0.13338%0.378CS..Hα-helixtrans-61.4-24.9-179.3-53.60000112.6V389 L390S386-V389 PolarHBondContact O-N 2.58Å; S386-L390 PolarHBondContact O-N 3.14Å; S386-L390 VanDerWaalsContact O-N 3.12Å
387M92.9Very high90.5Very high37 Ų3781 Ų8118%0.18241%0.406CS..Hα-helixtrans-68.3-38.2177.6-173.358.671.800111.1D385 V389 L390 L391 Y411 L426D385-M387 PolarHBondContact O-N 3.35Å; D385-M387 WeakPolarHBondContact OD1-CB 3.44Å; D385-M387 PolarHBondContact OD1-N 3.36Å; D385-M387 VanDerWaalsContact OD1-N 3.15Å; M387-V389 PolarHBondContact O-N 3.48Å; M387-L390 PolarHBondContact O-N 3.12Å; M387-L390 VanDerWaalsContact O-N 3.13Å; M387-L390 HydrophobicContact SD-CD2 4.18Å; M387-L391 HydrophobicContact CG-CD1 4.2Å; M387-L391 HydrophobicContact CG-CG 4.14Å; M387-L391 VanDerWaalsContact O-CG 3.29Å; M387-L391 WeakPolarHBondContact O-CG 3.3Å; M387-L391 PolarHBondContact O-N 2.61Å; M387-L391 HydrophobicContact SD-CD2 4.41Å; M387-L391 HydrophobicContact SD-CG 4.28Å; M387-Y411 HydrophobicContact CB-CE2 4.38Å; M387-Y411 HydrophobicContact CE-CE1 3.89Å; M387-Y411 HydrophobicContact CE-CE2 3.93Å; M387-Y411 VanDerWaalsContact CE-CZ 3.47Å; M387-Y411 WeakPolarHBondContact CE-OH 3.39Å; M387-L426 HydrophobicContact CE-CD1 4.37Å; M387-L426 HydrophobicContact CE-CD2 4.06Å; M387-L426 HydrophobicContact SD-CD2 4.15Å
388R92.1Very high90.4Very high186 Ų18684.8 Ų84.870%0.70243%0.427SS*.Hα-helixtrans-62.4-30.3174.7-72178.3-165.3-155.1-4.8113.1D385 P392D385-R388 HydrophobicContact CB-CB 4.4Å; D385-R388 HydrophobicContact CB-CG 4.14Å; D385-R388 PolarHBondContact O-N 3.14Å; D385-R388 VanDerWaalsContact O-N 3.16Å; D385-R388 PolarHBondContact OD1-N 2.95Å; D385-R388 WeakPolarHBondContact OD2-CD 3.25Å; D385-R388 VanDerWaalsContact OD2-CG 3.3Å; D385-R388 WeakPolarHBondContact OD2-CG 3.5Å; D385-R388 IonicContact OD2-CZ 3.71Å; D385-R388 IonicContact OD2-NE 2.71Å; D385-R388 PolarHBondContact OD2-NE 3.43Å; R388-P392 VanDerWaalsContact O-CD 3.23Å; R388-P392 WeakPolarHBondContact O-CD 3.48Å
389V93.9Very high90.3Very high28 Ų2883.8 Ų83.817%0.1742%0.416CS..Hα-helixtrans-73.6-37.6175.2-177.20000110.8T368 D371 L372 V383 S386 M387 P392T368-V389 HydrophobicContact CG2-CG1 4.07Å; D371-V389 HydrophobicContact CB-CG1 4.1Å; L372-V389 HydrophobicContact CD2-CB 4.21Å; L372-V389 HydrophobicContact CD2-CG1 4.26Å; L372-V389 HydrophobicContact CG-CG1 4.09Å; V383-V389 HydrophobicContact CG1-CG2 3.7Å; S386-V389 PolarHBondContact O-N 2.58Å; M387-V389 PolarHBondContact O-N 3.48Å; V389-P392 WeakPolarHBondContact O-CD 3.46Å
390L94.6Very high90.5Very high0 Ų080.6 Ų80.60%040%0.404CS..Hα-helixtrans-74.5-42.2-178.7-179.563.3000113.6L372 S386 M387 P392 V393 L394 A407 I408 Y411 L426L372-L390 HydrophobicContact CD1-CD1 4.35Å; S386-L390 PolarHBondContact O-N 3.14Å; S386-L390 VanDerWaalsContact O-N 3.12Å; M387-L390 PolarHBondContact O-N 3.12Å; M387-L390 VanDerWaalsContact O-N 3.13Å; M387-L390 HydrophobicContact SD-CD2 4.18Å; L390-P392 VanDerWaalsContact C-CD 3.48Å; L390-V393 WeakPolarHBondContact O-CB 3.26Å; L390-V393 PolarHBondContact O-N 2.76Å; L390-L394 HydrophobicContact CD1-CD1 4.49Å; L390-L394 HydrophobicContact CD1-CD2 4.02Å; L390-L394 HydrophobicContact CD1-CG 4.15Å; L390-L394 HydrophobicContact CD2-CD1 3.94Å; L390-L394 HydrophobicContact CD2-CG 4.49Å; L390-L394 HydrophobicContact CG-CD1 3.84Å; L390-L394 HydrophobicContact CG-CD2 4.27Å; L390-L394 HydrophobicContact CG-CG 3.91Å; L390-L394 PolarHBondContact O-N 3.48Å; L390-A407 HydrophobicContact CD1-CB 3.66Å; L390-I408 HydrophobicContact CD2-CG1 4.45Å; L390-Y411 HydrophobicContact CD2-CD1 4.11Å; L390-Y411 HydrophobicContact CD2-CD2 4.27Å; L390-Y411 HydrophobicContact CD2-CG 3.78Å; L390-L426 HydrophobicContact CD2-CD2 4.31Å
391L91.5Very high90.8Very high78 Ų7881.3 Ų81.341%0.40840%0.395SS..Hα-helixtrans-51.4-43.7-171.6-77.1169.5000114.8M387 V393 L394 L395M387-L391 HydrophobicContact CG-CD1 4.2Å; M387-L391 HydrophobicContact CG-CG 4.14Å; M387-L391 VanDerWaalsContact O-CG 3.29Å; M387-L391 WeakPolarHBondContact O-CG 3.3Å; M387-L391 PolarHBondContact O-N 2.61Å; M387-L391 HydrophobicContact SD-CD2 4.41Å; M387-L391 HydrophobicContact SD-CG 4.28Å; L391-V393 PolarHBondContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.02Å; L391-L395 VanDerWaalsContact O-N 3.1Å
392P92Very high91Very high80 Ų8076.2 Ų76.252%0.51937%0.373SS..Hα-helixtrans-58.4-32.6177.2-2635.6000114.2R388 V389 L390 N396R388-P392 VanDerWaalsContact O-CD 3.23Å; R388-P392 WeakPolarHBondContact O-CD 3.48Å; V389-P392 WeakPolarHBondContact O-CD 3.46Å; L390-P392 VanDerWaalsContact C-CD 3.48Å; P392-N396 PolarHBondContact O-N 3.49Å
393V92.3Very high91.2Very high5 Ų568.1 Ų68.13%0.0334%0.338CS..Hα-helixtrans-70.6-45.4177.3179.80000110.3L365 T368 L390 L391 L395 N396 A407L365-V393 HydrophobicContact CD1-CB 4.46Å; L365-V393 HydrophobicContact CD1-CG1 3.58Å; L365-V393 HydrophobicContact CD1-CG2 3.99Å; T368-V393 HydrophobicContact CG2-CG2 3.99Å; T368-V393 VanDerWaalsContact OG1-CG2 3.26Å; T368-V393 WeakPolarHBondContact OG1-CG2 3.38Å; L390-V393 WeakPolarHBondContact O-CB 3.26Å; L390-V393 PolarHBondContact O-N 2.76Å; L391-V393 PolarHBondContact O-N 3.07Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 2.93Å; V393-N396 PolarHBondContact O-N 2.73Å; V393-A407 HydrophobicContact CG1-CB 3.91Å
394L90.9Very high91.3Very high18 Ų1867.7 Ų67.79%0.09433%0.334CS..Hα-helixtrans-65.8-37.1-176.9-57.3-173000112.6L390 L391 N396 K404 I408 L426 V430L390-L394 HydrophobicContact CD1-CD1 4.49Å; L390-L394 HydrophobicContact CD1-CD2 4.02Å; L390-L394 HydrophobicContact CD1-CG 4.15Å; L390-L394 HydrophobicContact CD2-CD1 3.94Å; L390-L394 HydrophobicContact CD2-CG 4.49Å; L390-L394 HydrophobicContact CG-CD1 3.84Å; L390-L394 HydrophobicContact CG-CD2 4.27Å; L390-L394 HydrophobicContact CG-CG 3.91Å; L390-L394 PolarHBondContact O-N 3.48Å; L391-L394 PolarHBondContact O-N 3.25Å; L394-N396 VanDerWaalsContact C-N 3.31Å; L394-K404 HydrophobicContact CD2-CB 4.33Å; L394-I408 HydrophobicContact CD2-CD1 4.11Å; L394-I408 HydrophobicContact CD2-CG1 3.88Å; L394-L426 HydrophobicContact CD1-CD2 3.75Å; L394-V430 HydrophobicContact CB-CG2 4.04Å; L394-V430 HydrophobicContact CD1-CG2 4.07Å; L394-V430 HydrophobicContact CD2-CG2 3.89Å; L394-V430 HydrophobicContact CG-CG2 4.21Å
395L89Confident91.7Very high140 Ų14057.7 Ų57.773%0.73329%0.29SS*.Hα-helixtrans-76.4-18.2179.6-65.5175000113.2L391 V393 K397L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.02Å; L391-L395 VanDerWaalsContact O-N 3.1Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 2.93Å; L395-K397 PolarHBondContact O-N 3.2Å
396N88.7Confident92Very high47 Ų4754.6 Ų54.625%0.25127%0.274SS..  trans-74.5123.4-179.8-170.3-4.7000110.7P392 V393 L394 N398 H399 K404P392-N396 PolarHBondContact O-N 3.49Å; V393-N396 PolarHBondContact O-N 2.73Å; L394-N396 VanDerWaalsContact C-N 3.31Å; N396-N398 VanDerWaalsContact C-N 3.3Å; N396-N398 WeakPolarHBondContact OD1-CB 3.35Å; N396-N398 PolarHBondContact OD1-N 3.41Å; N396-H399 WeakPolarHBondContact CB-ND1 3.27Å; N396-H399 PolarHBondContact ND2-CE1 2.65Å; N396-H399 PolarHBondContact ND2-ND1 2.99Å; N396-H399 VanDerWaalsContact ND2-ND1 3.12Å; N396-K404 VanDerWaalsContact O-CE 3.25Å; N396-K404 WeakPolarHBondContact O-CE 3.41Å; N396-K404 PolarHBondContact O-NZ 2.87Å; N396-K404 VanDerWaalsContact O-NZ 3.16Å
397K86.5Confident92.2Very high192 Ų19253.7 Ų53.784%0.83527%0.267SS*.THydrogen-bonded Turntrans-79.9-12.7179.2-64.4-174.5-179.8-1800113.4L395L395-K397 PolarHBondContact O-N 3.2Å
398N87.1Confident92.4Very high118 Ų11851.9 Ų51.963%0.63126%0.259SS*.THydrogen-bonded Turntrans-84.5-10.7-179.4-62.3-14000113N361 N396N361-N398 PolarHBondContact ND2-O 3.42Å; N396-N398 VanDerWaalsContact C-N 3.3Å; N396-N398 WeakPolarHBondContact OD1-CB 3.35Å; N396-N398 PolarHBondContact OD1-N 3.41Å
399H86.8Confident92.7Very high11 Ų1143 Ų435%0.05123%0.225CC..SBendtrans-87.6138.8174.5-70.6116.4000110.2N361 N396 D403 K404N361-H399 PolarHBondContact O-NE2 3.3Å; N396-H399 WeakPolarHBondContact CB-ND1 3.27Å; N396-H399 PolarHBondContact ND2-CE1 2.65Å; N396-H399 PolarHBondContact ND2-ND1 2.99Å; N396-H399 VanDerWaalsContact ND2-ND1 3.12Å; H399-D403 HydrophobicContact CB-CB 4.21Å; H399-D403 IonicContact CD2-OD2 2.68Å; H399-K404 HydrophobicContact CB-CG 4.29Å; H399-K404 WeakPolarHBondContact O-CE 3.17Å
400D90.9Very high92.9Very high68 Ų6841.8 Ų41.836%0.36422%0.217SC..  trans-74.1172175.57613.4000111C402 D403 K404D400-C402 PolarHBondContact O-N 3.3Å; D400-C402 WeakPolarHBondContact OD1-CA 3.45Å; D400-C402 VanDerWaalsContact OD1-CB 3.3Å; D400-C402 WeakPolarHBondContact OD1-CB 3.26Å; D400-C402 PolarHBondContact OD1-N 3.49Å; D400-D403 WeakPolarHBondContact OD1-CB 3.2Å; D400-D403 PolarHBondContact OD1-N 3.07Å; D400-K404 WeakPolarHBondContact O-CG 3.11Å; D400-K404 PolarHBondContact O-N 3.11Å
401N92.9Very high93Very high67 Ų6742.8 Ų42.836%0.35822%0.222SC..Hα-helixtrans-65.2-32.3178.7-73.80.8000112K404 I405 I432 E435N401-K404 PolarHBondContact O-N 3.08Å; N401-I405 WeakPolarHBondContact O-CB 3.39Å; N401-I405 VanDerWaalsContact O-CG1 3.24Å; N401-I405 WeakPolarHBondContact O-CG1 3.39Å; N401-I405 PolarHBondContact O-N 3.39Å; N401-I432 HydrophobicContact CB-CG2 4.03Å; N401-E435 WeakPolarHBondContact CB-OE2 3.4Å; N401-E435 PolarHBondContact ND2-OE2 3Å
402C93.8Very high93.2Very high22 Ų2239.1 Ų39.115%0.14920%0.202CC..Hα-helixtrans-64.8-48.7-179.4-175.30000111D400 K404 I405 R406D400-C402 PolarHBondContact O-N 3.3Å; D400-C402 WeakPolarHBondContact OD1-CA 3.45Å; D400-C402 VanDerWaalsContact OD1-CB 3.3Å; D400-C402 WeakPolarHBondContact OD1-CB 3.26Å; D400-C402 PolarHBondContact OD1-N 3.49Å; C402-K404 VanDerWaalsContact C-N 3.29Å; C402-K404 PolarHBondContact O-N 3.16Å; C402-I405 PolarHBondContact O-N 3.41Å; C402-I405 VanDerWaalsContact O-N 3.17Å; C402-R406 VanDerWaalsContact O-CG 3.24Å; C402-R406 WeakPolarHBondContact O-CG 3.22Å; C402-R406 PolarHBondContact O-N 3.24Å
403D94.8Very high93.4Very high8 Ų836 Ų364%0.04318%0.18CC..Hα-helixtrans-56.2-43.2174.9-68.4-21.3000111.4H250 L365 H399 D400 R406 A407H250-D403 IonicContact CE1-OD1 2.87Å; H250-D403 PolarHBondContact CE1-OD1 2.85Å; H250-D403 VanDerWaalsContact CE1-OD1 3.27Å; H250-D403 IonicContact NE2-OD1 3.58Å; H250-D403 PolarHBondContact NE2-OD1 2.94Å; L365-D403 HydrophobicContact CD2-CB 3.76Å; H399-D403 HydrophobicContact CB-CB 4.21Å; H399-D403 IonicContact CD2-OD2 2.68Å; D400-D403 WeakPolarHBondContact OD1-CB 3.2Å; D400-D403 PolarHBondContact OD1-N 3.07Å; D403-R406 PolarHBondContact O-N 3.11Å; D403-A407 WeakPolarHBondContact O-CB 3.16Å; D403-A407 PolarHBondContact O-N 3.48Å
404K95.2Very high93.4Very high21 Ų2136.7 Ų36.79%0.09119%0.186CC..Hα-helixtrans-67.6-41.6177.8-66.9179.2-170.1-1780111.9L394 N396 H399 D400 N401 C402 A407 I408 V430L394-K404 HydrophobicContact CD2-CB 4.33Å; N396-K404 VanDerWaalsContact O-CE 3.25Å; N396-K404 WeakPolarHBondContact O-CE 3.41Å; N396-K404 PolarHBondContact O-NZ 2.87Å; N396-K404 VanDerWaalsContact O-NZ 3.16Å; H399-K404 HydrophobicContact CB-CG 4.29Å; H399-K404 WeakPolarHBondContact O-CE 3.17Å; D400-K404 WeakPolarHBondContact O-CG 3.11Å; D400-K404 PolarHBondContact O-N 3.11Å; N401-K404 PolarHBondContact O-N 3.08Å; C402-K404 VanDerWaalsContact C-N 3.29Å; C402-K404 PolarHBondContact O-N 3.16Å; K404-A407 PolarHBondContact O-N 3.39Å; K404-I408 VanDerWaalsContact O-CG1 3.24Å; K404-I408 WeakPolarHBondContact O-CG1 3.32Å; K404-I408 PolarHBondContact O-N 3.22Å; K404-V430 HydrophobicContact CB-CG1 3.98Å; K404-V430 HydrophobicContact CD-CG1 3.56Å; K404-V430 HydrophobicContact CG-CG1 4.39Å
405I96.9Very high93.5Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-62-45175.2-72.4166.8000110.3N401 C402 A407 I408 L409 I432 E435 M438 I439 L573N401-I405 WeakPolarHBondContact O-CB 3.39Å; N401-I405 VanDerWaalsContact O-CG1 3.24Å; N401-I405 WeakPolarHBondContact O-CG1 3.39Å; N401-I405 PolarHBondContact O-N 3.39Å; C402-I405 PolarHBondContact O-N 3.41Å; C402-I405 VanDerWaalsContact O-N 3.17Å; I405-A407 PolarHBondContact O-N 3.06Å; I405-I408 PolarHBondContact O-N 3.04Å; I405-L409 HydrophobicContact CG2-CD1 3.91Å; I405-L409 HydrophobicContact CG2-CG 4.41Å; I405-L409 WeakPolarHBondContact O-CB 3.45Å; I405-L409 VanDerWaalsContact O-CG 3.31Å; I405-L409 WeakPolarHBondContact O-CG 3.44Å; I405-L409 PolarHBondContact O-N 3.29Å; I405-I432 HydrophobicContact CD1-CD1 4.35Å; I405-I432 HydrophobicContact CG1-CD1 3.67Å; I405-E435 HydrophobicContact CD1-CB 3.91Å; I405-M438 HydrophobicContact CD1-CB 4.36Å; I405-M438 HydrophobicContact CD1-SD 3.65Å; I405-M438 HydrophobicContact CG2-CB 4.08Å; I405-I439 HydrophobicContact CG2-CG1 3.99Å; I405-L573 HydrophobicContact CG2-CD1 4.08Å; I405-L573 HydrophobicContact CG2-CD2 4.15Å
406R97.3Very high93.6Very high1 Ų133.2 Ų33.20%0.00417%0.168CC..Hα-helixtrans-58.3-46.4175.5-68.1162.768.4157.711.3111.6V248 L249 H250 D260 C402 D403 I408 L409 L410 L573V248-R406 HydrophobicContact CB-CB 4.37Å; V248-R406 HydrophobicContact CB-CG 4.23Å; V248-R406 VanDerWaalsContact O-CZ 3.31Å; V248-R406 PolarHBondContact O-NE 3.45Å; V248-R406 PolarHBondContact O-NH2 3.04Å; L249-R406 VanDerWaalsContact C-NH2 3.26Å; L249-R406 PolarHBondContact O-NH2 3.23Å; H250-R406 PolarHBondContact CD2-NH2 2.86Å; H250-R406 PolarHBondContact CE1-NE 3.28Å; H250-R406 PolarHBondContact CE1-NH1 2.92Å; H250-R406 VanDerWaalsContact CE1-NH1 3.28Å; H250-R406 VanDerWaalsContact CG-NH2 3.32Å; H250-R406 PolarHBondContact ND1-NH2 3.45Å; H250-R406 VanDerWaalsContact NE2-CZ 3.3Å; H250-R406 PolarHBondContact NE2-NH1 3.24Å; D260-R406 IonicContact OD1-CZ 2.62Å; D260-R406 IonicContact OD1-NH1 3.51Å; D260-R406 PolarHBondContact OD1-NH1 3.45Å; D260-R406 IonicContact OD1-NH2 3.86Å; D260-R406 IonicContact OD2-CZ 2.68Å; D260-R406 IonicContact OD2-NH1 3.85Å; D260-R406 PolarHBondContact OD2-NH1 2.92Å; D260-R406 IonicContact OD2-NH2 3.85Å; D260-R406 PolarHBondContact OD2-NH2 3.22Å; C402-R406 VanDerWaalsContact O-CG 3.24Å; C402-R406 WeakPolarHBondContact O-CG 3.22Å; C402-R406 PolarHBondContact O-N 3.24Å; D403-R406 PolarHBondContact O-N 3.11Å; R406-I408 PolarHBondContact O-N 3.08Å; R406-L409 WeakPolarHBondContact O-CB 3.45Å; R406-L409 PolarHBondContact O-N 3.39Å; R406-L410 WeakPolarHBondContact O-CG 3.3Å; R406-L410 PolarHBondContact O-N 3.41Å; R406-L573 HydrophobicContact CG-CD1 4.1Å
407A96.6Very high93.8Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-63.5-40.5177.200000112.7L365 L390 V393 D403 K404 I405 L410 Y411L365-A407 HydrophobicContact CD1-CB 4.39Å; L390-A407 HydrophobicContact CD1-CB 3.66Å; V393-A407 HydrophobicContact CG1-CB 3.91Å; D403-A407 WeakPolarHBondContact O-CB 3.16Å; D403-A407 PolarHBondContact O-N 3.48Å; K404-A407 PolarHBondContact O-N 3.39Å; I405-A407 PolarHBondContact O-N 3.06Å; A407-L410 PolarHBondContact O-N 2.99Å; A407-Y411 PolarHBondContact O-N 3.22Å
408I97.2Very high94.2Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-63.3-43.7174.4-68.5164.4000110.7L390 L394 K404 I405 R406 Y411 I412 L426 V430 I432 I439L390-I408 HydrophobicContact CD2-CG1 4.45Å; L394-I408 HydrophobicContact CD2-CD1 4.11Å; L394-I408 HydrophobicContact CD2-CG1 3.88Å; K404-I408 VanDerWaalsContact O-CG1 3.24Å; K404-I408 WeakPolarHBondContact O-CG1 3.32Å; K404-I408 PolarHBondContact O-N 3.22Å; I405-I408 PolarHBondContact O-N 3.04Å; R406-I408 PolarHBondContact O-N 3.08Å; I408-Y411 WeakPolarHBondContact O-CB 3.41Å; I408-Y411 PolarHBondContact O-N 3.03Å; I408-I412 HydrophobicContact CG2-CD1 3.79Å; I408-I412 HydrophobicContact CG2-CG1 4.37Å; I408-I412 WeakPolarHBondContact O-CG1 3.33Å; I408-I412 PolarHBondContact O-N 2.84Å; I408-L426 HydrophobicContact CG2-CD1 4.35Å; I408-V430 HydrophobicContact CD1-CG2 4.35Å; I408-I432 HydrophobicContact CD1-CD1 3.95Å; I408-I439 HydrophobicContact CB-CD1 4.45Å; I408-I439 HydrophobicContact CD1-CD1 4.44Å; I408-I439 HydrophobicContact CG2-CD1 3.92Å
409L97.9Very high94.6Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-60.5-47.3177.3-75.4169.3000111.4V248 I405 R406 Y411 I412 F413 I439 W442 L573V248-L409 HydrophobicContact CG1-CD1 4.06Å; I405-L409 HydrophobicContact CG2-CD1 3.91Å; I405-L409 HydrophobicContact CG2-CG 4.41Å; I405-L409 WeakPolarHBondContact O-CB 3.45Å; I405-L409 VanDerWaalsContact O-CG 3.31Å; I405-L409 WeakPolarHBondContact O-CG 3.44Å; I405-L409 PolarHBondContact O-N 3.29Å; R406-L409 WeakPolarHBondContact O-CB 3.45Å; R406-L409 PolarHBondContact O-N 3.39Å; L409-Y411 VanDerWaalsContact C-N 3.3Å; L409-Y411 PolarHBondContact O-N 3.44Å; L409-I412 PolarHBondContact O-N 2.95Å; L409-I412 VanDerWaalsContact O-N 3.11Å; L409-F413 HydrophobicContact CB-CD2 4.49Å; L409-F413 HydrophobicContact CB-CE2 3.84Å; L409-F413 HydrophobicContact CB-CZ 3.93Å; L409-F413 HydrophobicContact CD2-CE1 4.22Å; L409-F413 HydrophobicContact CD2-CZ 3.82Å; L409-F413 HydrophobicContact CG-CZ 4.4Å; L409-F413 WeakPolarHBondContact O-CB 3.3Å; L409-F413 WeakPolarHBondContact O-CD1 3.39Å; L409-F413 VanDerWaalsContact O-CD2 3.25Å; L409-F413 WeakPolarHBondContact O-CD2 3.21Å; L409-F413 WeakPolarHBondContact O-CG 3.46Å; L409-F413 PolarHBondContact O-N 3.12Å; L409-I439 HydrophobicContact CD2-CB 4.39Å; L409-I439 HydrophobicContact CD2-CG1 4.38Å; L409-I439 HydrophobicContact CD2-CG2 4.05Å; L409-I439 HydrophobicContact CG-CG1 4.46Å; L409-W442 HydrophobicContact CD1-CZ2 3.96Å; L409-W442 HydrophobicContact CD2-CD2 4.31Å; L409-W442 HydrophobicContact CD2-CG 4.05Å; L409-L573 HydrophobicContact CD1-CD2 3.65Å
410L97.7Very high95Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..Hα-helixtrans-58.8-42.1175.5-71.5171.1000112V245 V248 L249 E369 L372 A373 R406 A407 F413 S414V245-L410 HydrophobicContact CB-CD2 4.47Å; V245-L410 HydrophobicContact CG1-CD2 3.8Å; V248-L410 HydrophobicContact CG2-CD2 3.67Å; V248-L410 HydrophobicContact CG2-CG 3.86Å; L249-L410 HydrophobicContact CD2-CD1 3.73Å; L249-L410 HydrophobicContact CD2-CD2 3.98Å; L249-L410 HydrophobicContact CG-CD2 4.1Å; E369-L410 HydrophobicContact CB-CD1 3.69Å; E369-L410 HydrophobicContact CG-CD1 3.54Å; L372-L410 HydrophobicContact CB-CB 4.15Å; L372-L410 HydrophobicContact CD1-CB 4.39Å; A373-L410 HydrophobicContact CB-CD2 4.35Å; R406-L410 WeakPolarHBondContact O-CG 3.3Å; R406-L410 PolarHBondContact O-N 3.41Å; A407-L410 PolarHBondContact O-N 2.99Å; L410-F413 PolarHBondContact O-N 2.98Å; L410-S414 VanDerWaalsContact O-CB 3.3Å; L410-S414 WeakPolarHBondContact O-CB 3.09Å; L410-S414 PolarHBondContact O-N 3.36Å
411Y96.8Very high95.2Very high22 Ų2225.6 Ų25.69%0.08613%0.133CC..Hα-helixtrans-57.7-51.2172.3164.5-98000111.5M387 L390 A407 I408 L409 F413 S414 I415 L426M387-Y411 HydrophobicContact CB-CE2 4.38Å; M387-Y411 HydrophobicContact CE-CE1 3.89Å; M387-Y411 HydrophobicContact CE-CE2 3.93Å; M387-Y411 VanDerWaalsContact CE-CZ 3.47Å; M387-Y411 WeakPolarHBondContact CE-OH 3.39Å; L390-Y411 HydrophobicContact CD2-CD1 4.11Å; L390-Y411 HydrophobicContact CD2-CD2 4.27Å; L390-Y411 HydrophobicContact CD2-CG 3.78Å; A407-Y411 PolarHBondContact O-N 3.22Å; I408-Y411 WeakPolarHBondContact O-CB 3.41Å; I408-Y411 PolarHBondContact O-N 3.03Å; L409-Y411 VanDerWaalsContact C-N 3.3Å; L409-Y411 PolarHBondContact O-N 3.44Å; Y411-F413 VanDerWaalsContact C-N 3.34Å; Y411-F413 PolarHBondContact O-N 2.93Å; Y411-S414 WeakPolarHBondContact O-CA 3.36Å; Y411-S414 WeakPolarHBondContact O-CB 3.14Å; Y411-S414 PolarHBondContact O-N 3.47Å; Y411-S414 PolarHBondContact O-OG 2.91Å; Y411-I415 HydrophobicContact CE1-CD1 3.73Å; Y411-I415 HydrophobicContact CE1-CG1 4.45Å; Y411-I415 HydrophobicContact CE2-CD1 4.21Å; Y411-I415 HydrophobicContact CE2-CG2 4.4Å; Y411-I415 WeakPolarHBondContact O-CG1 3.42Å; Y411-I415 PolarHBondContact O-N 3.48Å; Y411-I415 WeakPolarHBondContact OH-CD1 3.46Å; Y411-L426 HydrophobicContact CD1-CD1 4.29Å; Y411-L426 HydrophobicContact CE1-CD1 4.13Å
412I96.4Very high95.3Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-60.7-43-179.7-65.3168000111.1I408 L409 S414 I415 N416 G417 T418 L423 I439 I449I408-I412 HydrophobicContact CG2-CD1 3.79Å; I408-I412 HydrophobicContact CG2-CG1 4.37Å; I408-I412 WeakPolarHBondContact O-CG1 3.33Å; I408-I412 PolarHBondContact O-N 2.84Å; L409-I412 PolarHBondContact O-N 2.95Å; L409-I412 VanDerWaalsContact O-N 3.11Å; I412-S414 VanDerWaalsContact C-N 3.3Å; I412-S414 PolarHBondContact O-N 3.09Å; I412-I415 PolarHBondContact O-N 3.31Å; I412-N416 PolarHBondContact O-N 2.88Å; I412-G417 PolarHBondContact O-N 3.43Å; I412-T418 HydrophobicContact CD1-CG2 4.27Å; I412-T418 HydrophobicContact CG1-CG2 4.08Å; I412-L423 HydrophobicContact CD1-CD1 3.99Å; I412-I439 HydrophobicContact CD1-CG2 3.67Å; I412-I449 HydrophobicContact CG2-CD1 3.88Å
413F95.2Very high95.4Very high14 Ų1423.3 Ų23.36%0.06112%0.119CC..Hα-helixtrans-65.4-34.1175.4-55.4-24.5000111.7P244 V245 V248 L409 L410 Y411 I415 N416 W442 V447 I449 K457P244-F413 HydrophobicContact CB-CD1 4.48Å; P244-F413 HydrophobicContact CB-CD2 4.08Å; P244-F413 HydrophobicContact CB-CE1 4.1Å; P244-F413 HydrophobicContact CB-CE2 3.64Å; P244-F413 HydrophobicContact CB-CG 4.49Å; P244-F413 HydrophobicContact CB-CZ 3.66Å; P244-F413 HydrophobicContact CG-CD1 4.22Å; P244-F413 HydrophobicContact CG-CD2 4.09Å; P244-F413 HydrophobicContact CG-CE1 4.3Å; P244-F413 HydrophobicContact CG-CE2 4.16Å; P244-F413 HydrophobicContact CG-CG 4.13Å; P244-F413 HydrophobicContact CG-CZ 4.26Å; V245-F413 HydrophobicContact CG2-CB 4.03Å; V245-F413 HydrophobicContact CG2-CD2 4.02Å; V245-F413 HydrophobicContact CG2-CG 4.42Å; V248-F413 HydrophobicContact CG2-CE2 4.12Å; L409-F413 HydrophobicContact CB-CD2 4.49Å; L409-F413 HydrophobicContact CB-CE2 3.84Å; L409-F413 HydrophobicContact CB-CZ 3.93Å; L409-F413 HydrophobicContact CD2-CE1 4.22Å; L409-F413 HydrophobicContact CD2-CZ 3.82Å; L409-F413 HydrophobicContact CG-CZ 4.4Å; L409-F413 WeakPolarHBondContact O-CB 3.3Å; L409-F413 WeakPolarHBondContact O-CD1 3.39Å; L409-F413 VanDerWaalsContact O-CD2 3.25Å; L409-F413 WeakPolarHBondContact O-CD2 3.21Å; L409-F413 WeakPolarHBondContact O-CG 3.46Å; L409-F413 PolarHBondContact O-N 3.12Å; L410-F413 PolarHBondContact O-N 2.98Å; Y411-F413 VanDerWaalsContact C-N 3.34Å; Y411-F413 PolarHBondContact O-N 2.93Å; F413-I415 VanDerWaalsContact C-N 3.34Å; F413-I415 PolarHBondContact O-N 3.3Å; F413-N416 PolarHBondContact O-N 3.35Å; F413-W442 HydrophobicContact CE1-CD2 4.42Å; F413-W442 HydrophobicContact CE1-CE3 4.3Å; F413-W442 HydrophobicContact CE2-CZ3 4.46Å; F413-W442 AromaticContact CZ-CD2 3.83Å; F413-W442 HydrophobicContact CZ-CD2 3.83Å; F413-W442 AromaticContact CZ-CE3 3.7Å; F413-W442 HydrophobicContact CZ-CE3 3.7Å; F413-W442 HydrophobicContact CZ-CG 4.46Å; F413-W442 HydrophobicContact CZ-CH2 4.23Å; F413-W442 HydrophobicContact CZ-CZ2 4.33Å; F413-W442 AromaticContact CZ-CZ3 3.93Å; F413-W442 HydrophobicContact CZ-CZ3 3.93Å; F413-V447 HydrophobicContact CD1-CG1 3.77Å; F413-V447 HydrophobicContact CE1-CG1 3.49Å; F413-V447 VanDerWaalsContact CE1-CG1 3.49Å; F413-V447 HydrophobicContact CZ-CG1 4.4Å; F413-I449 HydrophobicContact CE1-CD1 3.95Å; F413-K457 VanDerWaalsContact O-CE 3.26Å; F413-K457 WeakPolarHBondContact O-CE 3.11Å; F413-K457 PolarHBondContact O-NZ 2.96Å
414S93Very high95.4Very high21 Ų2125.6 Ų25.615%0.14713%0.131CC..Hα-helixtrans-63.5-37.4177.184.90000112.5L372 L410 Y411 I412 K457L372-S414 WeakPolarHBondContact O-CB 3.4Å; L410-S414 VanDerWaalsContact O-CB 3.3Å; L410-S414 WeakPolarHBondContact O-CB 3.09Å; L410-S414 PolarHBondContact O-N 3.36Å; Y411-S414 WeakPolarHBondContact O-CA 3.36Å; Y411-S414 WeakPolarHBondContact O-CB 3.14Å; Y411-S414 PolarHBondContact O-N 3.47Å; Y411-S414 PolarHBondContact O-OG 2.91Å; I412-S414 VanDerWaalsContact C-N 3.3Å; I412-S414 PolarHBondContact O-N 3.09Å; S414-K457 VanDerWaalsContact CA-NZ 3.32Å; S414-K457 WeakPolarHBondContact O-CE 3.31Å; S414-K457 PolarHBondContact O-NZ 2.89Å
415I91.9Very high95.4Very high51 Ų5131.2 Ų31.226%0.26215%0.152SC..Hα-helixtrans-101.53.3-178.860.8162.3000114.1Y411 I412 F413 G417Y411-I415 HydrophobicContact CE1-CD1 3.73Å; Y411-I415 HydrophobicContact CE1-CG1 4.45Å; Y411-I415 HydrophobicContact CE2-CD1 4.21Å; Y411-I415 HydrophobicContact CE2-CG2 4.4Å; Y411-I415 WeakPolarHBondContact O-CG1 3.42Å; Y411-I415 PolarHBondContact O-N 3.48Å; Y411-I415 WeakPolarHBondContact OH-CD1 3.46Å; I412-I415 PolarHBondContact O-N 3.31Å; F413-I415 VanDerWaalsContact C-N 3.34Å; F413-I415 PolarHBondContact O-N 3.3Å; I415-G417 WeakPolarHBondContact CD1-O 2.99Å; I415-G417 VanDerWaalsContact CG1-O 3.24Å; I415-G417 WeakPolarHBondContact CG1-O 3.27Å
416N92.3Very high95.3Very high34 Ų3431.6 Ų31.618%0.18215%0.154CC..THydrogen-bonded Turntrans60.748.7178.6-158.438.8000113.8I412 F413 S453 Q455I412-N416 PolarHBondContact O-N 2.88Å; F413-N416 PolarHBondContact O-N 3.35Å; N416-S453 WeakPolarHBondContact ND2-CB 3.47Å; N416-S453 PolarHBondContact ND2-O 3.43Å; N416-S453 PolarHBondContact O-N 3.12Å; N416-Q455 PolarHBondContact ND2-O 3.45Å
417G93.3Very high95.1Very high0 Ų031.9 Ų31.90%016%0.155CC..  trans102163.6-176.700000112.8I412 I415 I449 Q452I412-G417 PolarHBondContact O-N 3.43Å; I415-G417 WeakPolarHBondContact CD1-O 2.99Å; I415-G417 VanDerWaalsContact CG1-O 3.24Å; I415-G417 WeakPolarHBondContact CG1-O 3.27Å; G417-I449 CarbonylContact C-O 3.53Å; G417-I449 VanDerWaalsContact CA-O 3.31Å; G417-I449 WeakPolarHBondContact CA-O 3.47Å; G417-Q452 WeakPolarHBondContact O-CG 3.41Å; G417-Q452 PolarHBondContact O-NE2 3.45Å
418T94.8Very high94.9Very high3 Ų337.6 Ų37.62%0.01818%0.182CC..  trans-132.4174.3179.9-1780000110.3I412 N422 L423 I449 V450I412-T418 HydrophobicContact CD1-CG2 4.27Å; I412-T418 HydrophobicContact CG1-CG2 4.08Å; T418-N422 PolarHBondContact OG1-ND2 2.92Å; T418-L423 HydrophobicContact CG2-CB 3.9Å; T418-I449 PolarHBondContact N-O 2.95Å; T418-V450 HydrophobicContact CG2-CG2 4.16Å
419T95.5Very high94.5Very high73 Ų7343.8 Ų43.845%0.44822%0.215SC..  trans-80.4153.3166.865.30000110.7E421 N422 L423T419-E421 VanDerWaalsContact C-N 3.34Å; T419-E421 PolarHBondContact O-N 3.2Å; T419-N422 PolarHBondContact O-N 2.88Å; T419-N422 VanDerWaalsContact OG1-CB 3.26Å; T419-N422 WeakPolarHBondContact OG1-CB 3.41Å; T419-N422 PolarHBondContact OG1-N 3.35Å; T419-L423 PolarHBondContact O-N 2.94Å
420E95.5Very high94.1Very high80 Ų8044.4 Ų44.437%0.37422%0.219SC..Hα-helixtrans-56.9-46.9176.1-168.666.4-16700111.3N422 L423 D424 R440 V450E420-N422 VanDerWaalsContact C-N 3.34Å; E420-N422 PolarHBondContact O-N 2.52Å; E420-L423 PolarHBondContact O-N 3.27Å; E420-L423 VanDerWaalsContact O-N 3.16Å; E420-D424 PolarHBondContact O-N 3.28Å; E420-R440 IonicContact OE1-CZ 3.86Å; E420-R440 IonicContact OE1-NH1 3.4Å; E420-R440 PolarHBondContact OE1-NH1 2.94Å; E420-R440 IonicContact OE1-NH2 3.22Å; E420-R440 PolarHBondContact OE1-NH2 3Å; E420-R440 IonicContact OE2-NH1 3.22Å; E420-R440 PolarHBondContact OE2-NH1 3.34Å; E420-V450 HydrophobicContact CB-CG1 4.19Å; E420-V450 WeakPolarHBondContact OE2-CG1 3.42Å
421E95.3Very high93.7Very high120 Ų12052.1 Ų52.156%0.56125%0.252SS*.Hα-helixtrans-59.1-42.3178.8-175.5-173.6173.700112.5T419 R425T419-E421 VanDerWaalsContact C-N 3.34Å; T419-E421 PolarHBondContact O-N 3.2Å; E421-R425 VanDerWaalsContact O-CG 3.3Å; E421-R425 WeakPolarHBondContact O-CG 3.41Å; E421-R425 PolarHBondContact O-N 2.9Å; E421-R425 VanDerWaalsContact O-N 3.14Å; E421-R425 IonicContact OE1-CZ 3.04Å; E421-R425 IonicContact OE1-NE 2.9Å; E421-R425 IonicContact OE1-NH1 3.72Å; E421-R425 IonicContact OE1-NH2 3.51Å; E421-R425 PolarHBondContact OE1-NH2 3.38Å
422N94.9Very high93.4Very high40 Ų4051.1 Ų51.121%0.21425%0.249CC..Hα-helixtrans-70-38.6178.3-177.158.1000111.4T418 T419 E420 R425 L426T418-N422 PolarHBondContact OG1-ND2 2.92Å; T419-N422 PolarHBondContact O-N 2.88Å; T419-N422 VanDerWaalsContact OG1-CB 3.26Å; T419-N422 WeakPolarHBondContact OG1-CB 3.41Å; T419-N422 PolarHBondContact OG1-N 3.35Å; E420-N422 VanDerWaalsContact C-N 3.34Å; E420-N422 PolarHBondContact O-N 2.52Å; N422-R425 PolarHBondContact O-N 2.87Å; N422-L426 WeakPolarHBondContact O-CG 3.29Å; N422-L426 PolarHBondContact O-N 3.48Å
423L95.7Very high93.2Very high0 Ų055.6 Ų55.60%027%0.269CS..Hα-helixtrans-62.9-47.5176.5179.657.8000111.5I412 T418 T419 E420 R425 L426 I427 I439 R440 I449 V450I412-L423 HydrophobicContact CD1-CD1 3.99Å; T418-L423 HydrophobicContact CG2-CB 3.9Å; T419-L423 PolarHBondContact O-N 2.94Å; E420-L423 PolarHBondContact O-N 3.27Å; E420-L423 VanDerWaalsContact O-N 3.16Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.96Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-L426 VanDerWaalsContact O-N 3.12Å; L423-I427 HydrophobicContact CD1-CD1 3.97Å; L423-I427 HydrophobicContact CD1-CG1 4.28Å; L423-I427 HydrophobicContact CG-CD1 3.84Å; L423-I427 WeakPolarHBondContact O-CG1 3.38Å; L423-I427 PolarHBondContact O-N 3.08Å; L423-I439 HydrophobicContact CD1-CG2 3.93Å; L423-R440 HydrophobicContact CD2-CG 4.33Å; L423-I449 HydrophobicContact CD2-CG2 4.12Å; L423-V450 HydrophobicContact CD2-CG2 3.85Å
424D94.8Very high92.9Very high57 Ų5761.8 Ų61.831%0.30530%0.303SS..Hα-helixtrans-61.5-39.3178.8-75.5-26.2000112E420 L426 I427 Q428 R440E420-D424 PolarHBondContact O-N 3.28Å; D424-L426 PolarHBondContact O-N 3.03Å; D424-I427 PolarHBondContact O-N 3.49Å; D424-Q428 WeakPolarHBondContact O-CB 3.26Å; D424-Q428 VanDerWaalsContact O-CG 3.26Å; D424-Q428 WeakPolarHBondContact O-CG 3.42Å; D424-Q428 PolarHBondContact O-N 3.2Å; D424-R440 IonicContact OD1-CZ 3.89Å; D424-R440 IonicContact OD1-NH2 3.66Å; D424-R440 PolarHBondContact OD1-NH2 2.9Å
425R94.3Very high92.9Very high139 Ų13963 Ų6353%0.52531%0.307SS..Hα-helixtrans-61.6-42.6173.5-76.2176.8177.61705.8112.4E421 N422 L423 N429E421-R425 VanDerWaalsContact O-CG 3.3Å; E421-R425 WeakPolarHBondContact O-CG 3.41Å; E421-R425 PolarHBondContact O-N 2.9Å; E421-R425 VanDerWaalsContact O-N 3.14Å; E421-R425 IonicContact OE1-CZ 3.04Å; E421-R425 IonicContact OE1-NE 2.9Å; E421-R425 IonicContact OE1-NH1 3.72Å; E421-R425 IonicContact OE1-NH2 3.51Å; E421-R425 PolarHBondContact OE1-NH2 3.38Å; N422-R425 PolarHBondContact O-N 2.87Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.96Å; R425-N429 VanDerWaalsContact O-CB 3.26Å; R425-N429 WeakPolarHBondContact O-CB 3.48Å; R425-N429 PolarHBondContact O-N 3.03Å; R425-N429 PolarHBondContact O-ND2 3.08Å; R425-N429 VanDerWaalsContact O-ND2 3.16Å
426L94.1Very high93Very high7 Ų761.7 Ų61.74%0.03730%0.302CS..Hα-helixtrans-62.8-45.2176.6-71.2171000111.2M387 L390 L394 I408 Y411 N422 L423 D424 V430M387-L426 HydrophobicContact CE-CD1 4.37Å; M387-L426 HydrophobicContact CE-CD2 4.06Å; M387-L426 HydrophobicContact SD-CD2 4.15Å; L390-L426 HydrophobicContact CD2-CD2 4.31Å; L394-L426 HydrophobicContact CD1-CD2 3.75Å; I408-L426 HydrophobicContact CG2-CD1 4.35Å; Y411-L426 HydrophobicContact CD1-CD1 4.29Å; Y411-L426 HydrophobicContact CE1-CD1 4.13Å; N422-L426 WeakPolarHBondContact O-CG 3.29Å; N422-L426 PolarHBondContact O-N 3.48Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-L426 VanDerWaalsContact O-N 3.12Å; D424-L426 PolarHBondContact O-N 3.03Å; L426-V430 WeakPolarHBondContact O-CB 3.3Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.24Å; L426-V430 PolarHBondContact O-N 3.2Å
427I93.8Very high93.2Very high8 Ų861.8 Ų61.84%0.04130%0.302CS..Hα-helixtrans-61.8-48179.7-68.9166.2000111L423 D424 V430 K431 I432 E433 I439L423-I427 HydrophobicContact CD1-CD1 3.97Å; L423-I427 HydrophobicContact CD1-CG1 4.28Å; L423-I427 HydrophobicContact CG-CD1 3.84Å; L423-I427 WeakPolarHBondContact O-CG1 3.38Å; L423-I427 PolarHBondContact O-N 3.08Å; D424-I427 PolarHBondContact O-N 3.49Å; I427-V430 PolarHBondContact O-N 3.5Å; I427-K431 PolarHBondContact O-N 3.13Å; I427-I432 HydrophobicContact CG2-CG1 4.27Å; I427-I432 PolarHBondContact O-N 2.92Å; I427-E433 HydrophobicContact CG2-CG 4.3Å; I427-I439 HydrophobicContact CG1-CD1 4.46Å
428Q92.6Very high93.4Very high120 Ų12062.2 Ų62.256%0.56131%0.305SS*.Hα-helixtrans-67-41.9-179-71.3173.47.400112.5D424 V430 K431D424-Q428 WeakPolarHBondContact O-CB 3.26Å; D424-Q428 VanDerWaalsContact O-CG 3.26Å; D424-Q428 WeakPolarHBondContact O-CG 3.42Å; D424-Q428 PolarHBondContact O-N 3.2Å; Q428-V430 PolarHBondContact O-N 2.99Å; Q428-K431 PolarHBondContact O-N 3.29Å
429N88.3Confident93.5Very high130 Ų13062.1 Ų62.170%0.69530%0.304SS*.Hα-helixtrans-64.8-31.1179.9-73.3-19.2000112.3R425R425-N429 VanDerWaalsContact O-CB 3.26Å; R425-N429 WeakPolarHBondContact O-CB 3.48Å; R425-N429 PolarHBondContact O-N 3.03Å; R425-N429 PolarHBondContact O-ND2 3.08Å; R425-N429 VanDerWaalsContact O-ND2 3.16Å
430V89.6Confident93.6Very high12 Ų1261.6 Ų61.67%0.07329%0.294CS..Hα-helixtrans-91.8-13.1-178.8-179.40000112.4L394 K404 I408 L426 I427 Q428 I432L394-V430 HydrophobicContact CB-CG2 4.04Å; L394-V430 HydrophobicContact CD1-CG2 4.07Å; L394-V430 HydrophobicContact CD2-CG2 3.89Å; L394-V430 HydrophobicContact CG-CG2 4.21Å; K404-V430 HydrophobicContact CB-CG1 3.98Å; K404-V430 HydrophobicContact CD-CG1 3.56Å; K404-V430 HydrophobicContact CG-CG1 4.39Å; I408-V430 HydrophobicContact CD1-CG2 4.35Å; L426-V430 WeakPolarHBondContact O-CB 3.3Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.24Å; L426-V430 PolarHBondContact O-N 3.2Å; I427-V430 PolarHBondContact O-N 3.5Å; Q428-V430 PolarHBondContact O-N 2.99Å; V430-I432 HydrophobicContact CB-CD1 4.41Å; V430-I432 HydrophobicContact CB-CG1 4.11Å; V430-I432 HydrophobicContact CG1-CD1 4.2Å; V430-I432 HydrophobicContact CG1-CG1 4.09Å; V430-I432 HydrophobicContact CG1-CG2 3.87Å
431K90.4Very high93.7Very high163 Ų16358 Ų5871%0.70928%0.277SS*.THydrogen-bonded Turntrans61.445.8-179.4-51.7-177.8179.6-173.70113.4I427 Q428 E433I427-K431 PolarHBondContact O-N 3.13Å; Q428-K431 PolarHBondContact O-N 3.29Å; K431-E433 VanDerWaalsContact CA-OE2 3.29Å; K431-E433 WeakPolarHBondContact CA-OE2 3.41Å
432I91Very high93.8Very high2 Ų252.2 Ų52.21%0.0125%0.25CC..  trans-113.932.5-18052.9166000111.8N401 I405 I408 I427 V430 N434 E435 S436 I439N401-I432 HydrophobicContact CB-CG2 4.03Å; I405-I432 HydrophobicContact CD1-CD1 4.35Å; I405-I432 HydrophobicContact CG1-CD1 3.67Å; I408-I432 HydrophobicContact CD1-CD1 3.95Å; I427-I432 HydrophobicContact CG2-CG1 4.27Å; I427-I432 PolarHBondContact O-N 2.92Å; V430-I432 HydrophobicContact CB-CD1 4.41Å; V430-I432 HydrophobicContact CB-CG1 4.11Å; V430-I432 HydrophobicContact CG1-CD1 4.2Å; V430-I432 HydrophobicContact CG1-CG1 4.09Å; V430-I432 HydrophobicContact CG1-CG2 3.87Å; I432-N434 VanDerWaalsContact C-N 3.27Å; I432-N434 PolarHBondContact O-N 3.13Å; I432-E435 CarbonylContact O-C 3.58Å; I432-E435 PolarHBondContact O-N 3.06Å; I432-S436 PolarHBondContact O-N 3.26Å; I432-I439 HydrophobicContact CD1-CD1 4.06Å
433E90.6Very high93.9Very high93 Ų9352.9 Ų52.944%0.43526%0.257SS..G310 helixtrans-56.8-41.4-175.7-61.186.5168.100111.8I427 K431 E435 S436I427-E433 HydrophobicContact CG2-CG 4.3Å; K431-E433 VanDerWaalsContact CA-OE2 3.29Å; K431-E433 WeakPolarHBondContact CA-OE2 3.41Å; E433-E435 PolarHBondContact O-N 3.29Å; E433-S436 WeakPolarHBondContact O-CB 3.32Å; E433-S436 PolarHBondContact O-N 3.5Å; E433-S436 PolarHBondContact O-OG 3.4Å
434N90.1Very high93.9Very high144 Ų14456.7 Ų56.777%0.7727%0.273SS*.G310 helixtrans-70.4-13.4179.1-63.3-26.8000114.1I432I432-N434 VanDerWaalsContact C-N 3.27Å; I432-N434 PolarHBondContact O-N 3.13Å
435E92.6Very high93.9Very high47 Ų4754 Ų5422%0.2226%0.258CS..G310 helixtrans-117.65.9-176.2-57.9-174.9119.300111.8N401 I405 I432 E433 D437 M438N401-E435 WeakPolarHBondContact CB-OE2 3.4Å; N401-E435 PolarHBondContact ND2-OE2 3Å; I405-E435 HydrophobicContact CD1-CB 3.91Å; I432-E435 CarbonylContact O-C 3.58Å; I432-E435 PolarHBondContact O-N 3.06Å; E433-E435 PolarHBondContact O-N 3.29Å; E435-D437 PolarHBondContact O-N 3.27Å; E435-D437 VanDerWaalsContact O-N 3.13Å; E435-M438 HydrophobicContact CB-SD 4.19Å; E435-M438 WeakPolarHBondContact O-CB 3.46Å; E435-M438 WeakPolarHBondContact O-CG 3.1Å; E435-M438 PolarHBondContact O-N 3.24Å
436S94.2Very high93.9Very high23 Ų2348.5 Ų48.516%0.16125%0.245CC..THydrogen-bonded Turntrans-58.1-27.5-178.757.40000114.1I432 E433 M438 I439 R440I432-S436 PolarHBondContact O-N 3.26Å; E433-S436 WeakPolarHBondContact O-CB 3.32Å; E433-S436 PolarHBondContact O-N 3.5Å; E433-S436 PolarHBondContact O-OG 3.4Å; S436-M438 PolarHBondContact O-N 3.19Å; S436-I439 PolarHBondContact O-N 3.24Å; S436-R440 PolarHBondContact O-N 3.38Å; S436-R440 VanDerWaalsContact O-N 3.08Å
437D96.3Very high93.9Very high36 Ų3648.6 Ų48.619%0.19325%0.246CC..Hα-helixtrans-59.1-29.9172.8-72.1-36.7000112.6E435 I439 R440 N441 K577 N580 K581E435-D437 PolarHBondContact O-N 3.27Å; E435-D437 VanDerWaalsContact O-N 3.13Å; D437-I439 PolarHBondContact O-N 2.78Å; D437-I439 VanDerWaalsContact O-N 3.13Å; D437-R440 PolarHBondContact O-N 3.12Å; D437-N441 VanDerWaalsContact O-CB 3.27Å; D437-N441 WeakPolarHBondContact O-CB 3.12Å; D437-N441 PolarHBondContact O-N 3.16Å; D437-N441 VanDerWaalsContact O-N 3.13Å; D437-K577 HydrophobicContact CB-CG 4.18Å; D437-N580 PolarHBondContact OD1-ND2 3.03Å; D437-K581 IonicContact OD2-NZ 2.75Å
438M97.2Very high94Very high10 Ų1050.1 Ų50.15%0.04926%0.256CS..Hα-helixtrans-61.9-17.9174.3-67-177.2168.300112.6I405 E435 S436 W442 L573 K577I405-M438 HydrophobicContact CD1-CB 4.36Å; I405-M438 HydrophobicContact CD1-SD 3.65Å; I405-M438 HydrophobicContact CG2-CB 4.08Å; E435-M438 HydrophobicContact CB-SD 4.19Å; E435-M438 WeakPolarHBondContact O-CB 3.46Å; E435-M438 WeakPolarHBondContact O-CG 3.1Å; E435-M438 PolarHBondContact O-N 3.24Å; S436-M438 PolarHBondContact O-N 3.19Å; M438-W442 PolarHBondContact O-NE1 2.83Å; M438-L573 HydrophobicContact CB-CD2 4.36Å; M438-L573 HydrophobicContact CE-CB 4.3Å; M438-L573 HydrophobicContact CG-CB 4.28Å; M438-L573 HydrophobicContact SD-CB 3.98Å; M438-K577 HydrophobicContact CE-CD 3.71Å; M438-K577 HydrophobicContact CG-CB 3.81Å; M438-K577 HydrophobicContact CG-CD 4.08Å; M438-K577 HydrophobicContact CG-CG 4.25Å
439I97.8Very high94.1Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-102.8-49.1176.9-58.2167.9000110.8I405 I408 L409 I412 L423 I427 I432 S436 D437 N441 W442 I449I405-I439 HydrophobicContact CG2-CG1 3.99Å; I408-I439 HydrophobicContact CB-CD1 4.45Å; I408-I439 HydrophobicContact CD1-CD1 4.44Å; I408-I439 HydrophobicContact CG2-CD1 3.92Å; L409-I439 HydrophobicContact CD2-CB 4.39Å; L409-I439 HydrophobicContact CD2-CG1 4.38Å; L409-I439 HydrophobicContact CD2-CG2 4.05Å; L409-I439 HydrophobicContact CG-CG1 4.46Å; I412-I439 HydrophobicContact CD1-CG2 3.67Å; L423-I439 HydrophobicContact CD1-CG2 3.93Å; I427-I439 HydrophobicContact CG1-CD1 4.46Å; I432-I439 HydrophobicContact CD1-CD1 4.06Å; S436-I439 PolarHBondContact O-N 3.24Å; D437-I439 PolarHBondContact O-N 2.78Å; D437-I439 VanDerWaalsContact O-N 3.13Å; I439-N441 PolarHBondContact O-N 3Å; I439-W442 PolarHBondContact O-N 3.26Å; I439-I449 HydrophobicContact CG2-CG2 4.26Å
440R96.9Very high94.3Very high63 Ų6340.8 Ų40.824%0.23821%0.211CC..Hα-helixtrans-67.2-37.3-172.5-67.3178.2172.9-81.35.5113E420 L423 D424 S436 D437 W442 S443E420-R440 IonicContact OE1-CZ 3.86Å; E420-R440 IonicContact OE1-NH1 3.4Å; E420-R440 PolarHBondContact OE1-NH1 2.94Å; E420-R440 IonicContact OE1-NH2 3.22Å; E420-R440 PolarHBondContact OE1-NH2 3Å; E420-R440 IonicContact OE2-NH1 3.22Å; E420-R440 PolarHBondContact OE2-NH1 3.34Å; L423-R440 HydrophobicContact CD2-CG 4.33Å; D424-R440 IonicContact OD1-CZ 3.89Å; D424-R440 IonicContact OD1-NH2 3.66Å; D424-R440 PolarHBondContact OD1-NH2 2.9Å; S436-R440 PolarHBondContact O-N 3.38Å; S436-R440 VanDerWaalsContact O-N 3.08Å; D437-R440 PolarHBondContact O-N 3.12Å; R440-W442 PolarHBondContact O-N 2.62Å; R440-S443 WeakPolarHBondContact O-CB 3.41Å; R440-S443 PolarHBondContact O-N 2.86Å; R440-S443 PolarHBondContact O-OG 2.98Å
441N97.3Very high94.3Very high3 Ų345.1 Ų45.12%0.01624%0.24CC..G310 helixtrans-72.7-9.6-174.2-68.5-9.3000113.9D437 I439 S443 Y444 I576 L579 N580D437-N441 VanDerWaalsContact O-CB 3.27Å; D437-N441 WeakPolarHBondContact O-CB 3.12Å; D437-N441 PolarHBondContact O-N 3.16Å; D437-N441 VanDerWaalsContact O-N 3.13Å; I439-N441 PolarHBondContact O-N 3Å; N441-S443 PolarHBondContact O-N 3.35Å; N441-Y444 HydrophobicContact CB-CD2 3.9Å; N441-Y444 HydrophobicContact CB-CE2 4.12Å; N441-Y444 WeakPolarHBondContact O-CB 3.42Å; N441-Y444 WeakPolarHBondContact O-CD2 3.36Å; N441-Y444 PolarHBondContact O-N 3.29Å; N441-Y444 WeakPolarHBondContact OD1-CE2 3.45Å; N441-I576 HydrophobicContact CB-CG2 3.7Å; N441-I576 VanDerWaalsContact CB-O 3.25Å; N441-I576 WeakPolarHBondContact CB-O 3.37Å; N441-I576 PolarHBondContact ND2-O 2.92Å; N441-L579 HydrophobicContact CB-CB 4.33Å; N441-L579 HydrophobicContact CB-CD1 4.33Å; N441-N580 PolarHBondContact ND2-OD1 3.46Å; N441-N580 PolarHBondContact OD1-ND2 3.14Å
442W97.4Very high94.1Very high0 Ų042.6 Ų42.60%023%0.231CC..G310 helixtrans-59.2-25.2169.7-7883.6000113.2P244 T247 V248 L409 F413 M438 I439 R440 Y444 L445 V447 I449 L572 L573 I576P244-W442 HydrophobicContact CB-CE3 3.89Å; P244-W442 HydrophobicContact CB-CH2 4.25Å; P244-W442 HydrophobicContact CB-CZ3 3.38Å; T247-W442 VanDerWaalsContact OG1-CH2 3.31Å; T247-W442 WeakPolarHBondContact OG1-CH2 3.4Å; V248-W442 HydrophobicContact CG1-CH2 3.98Å; V248-W442 HydrophobicContact CG1-CZ2 3.73Å; L409-W442 HydrophobicContact CD1-CZ2 3.96Å; L409-W442 HydrophobicContact CD2-CD2 4.31Å; L409-W442 HydrophobicContact CD2-CG 4.05Å; F413-W442 HydrophobicContact CE1-CD2 4.42Å; F413-W442 HydrophobicContact CE1-CE3 4.3Å; F413-W442 HydrophobicContact CE2-CZ3 4.46Å; F413-W442 AromaticContact CZ-CD2 3.83Å; F413-W442 HydrophobicContact CZ-CD2 3.83Å; F413-W442 AromaticContact CZ-CE3 3.7Å; F413-W442 HydrophobicContact CZ-CE3 3.7Å; F413-W442 HydrophobicContact CZ-CG 4.46Å; F413-W442 HydrophobicContact CZ-CH2 4.23Å; F413-W442 HydrophobicContact CZ-CZ2 4.33Å; F413-W442 AromaticContact CZ-CZ3 3.93Å; F413-W442 HydrophobicContact CZ-CZ3 3.93Å; M438-W442 PolarHBondContact O-NE1 2.83Å; I439-W442 PolarHBondContact O-N 3.26Å; R440-W442 PolarHBondContact O-N 2.62Å; W442-Y444 PolarHBondContact O-N 3.16Å; W442-L445 HydrophobicContact CE3-CD2 4.31Å; W442-L445 HydrophobicContact CZ3-CD2 4.4Å; W442-L445 WeakPolarHBondContact O-CB 3.31Å; W442-L445 PolarHBondContact O-N 2.89Å; W442-V447 HydrophobicContact CE3-CG2 4.24Å; W442-V447 PolarHBondContact O-N 2.83Å; W442-I449 HydrophobicContact CB-CD1 3.64Å; W442-I449 HydrophobicContact CB-CG1 3.71Å; W442-I449 HydrophobicContact CG-CD1 4.38Å; W442-L572 HydrophobicContact CH2-CD2 3.79Å; W442-L572 HydrophobicContact CZ2-CD2 4.12Å; W442-L573 HydrophobicContact CZ2-CD2 4.34Å; W442-I576 HydrophobicContact CD2-CD1 3.68Å; W442-I576 HydrophobicContact CE3-CD1 4.17Å; W442-I576 HydrophobicContact CG-CD1 4.19Å; W442-I576 HydrophobicContact CH2-CD1 3.9Å; W442-I576 HydrophobicContact CZ2-CD1 3.4Å; W442-I576 VanDerWaalsContact CZ2-CD1 3.4Å; W442-I576 HydrophobicContact CZ3-CD1 4.26Å
443S96.2Very high93.8Very high53 Ų5344.2 Ų44.237%0.37124%0.242SC..G310 helixtrans-57.6-31173590000112.9R440 N441 L445 G446 V447R440-S443 WeakPolarHBondContact O-CB 3.41Å; R440-S443 PolarHBondContact O-N 2.86Å; R440-S443 PolarHBondContact O-OG 2.98Å; N441-S443 PolarHBondContact O-N 3.35Å; S443-L445 VanDerWaalsContact C-N 3.26Å; S443-L445 PolarHBondContact O-N 3.31Å; S443-G446 PolarHBondContact O-N 2.85Å; S443-V447 WeakPolarHBondContact CA-O 3.27Å
444Y96Very high93.2Very high81 Ų8149.4 Ų49.432%0.31827%0.266SS..G310 helixtrans-72.3-17.7177-57.6-48.8000114Y160 P162 L201 N441 W442 G446 L579 N580Y160-Y444 WeakPolarHBondContact O-CB 3.44Å; P162-Y444 HydrophobicContact CB-CD1 4.06Å; P162-Y444 HydrophobicContact CB-CE1 3.66Å; P162-Y444 HydrophobicContact CG-CD1 4.26Å; P162-Y444 HydrophobicContact CG-CD2 4.37Å; P162-Y444 HydrophobicContact CG-CE1 3.74Å; P162-Y444 HydrophobicContact CG-CE2 3.87Å; L201-Y444 WeakPolarHBondContact CD1-O 3.42Å; N441-Y444 HydrophobicContact CB-CD2 3.9Å; N441-Y444 HydrophobicContact CB-CE2 4.12Å; N441-Y444 WeakPolarHBondContact O-CB 3.42Å; N441-Y444 WeakPolarHBondContact O-CD2 3.36Å; N441-Y444 PolarHBondContact O-N 3.29Å; N441-Y444 WeakPolarHBondContact OD1-CE2 3.45Å; W442-Y444 PolarHBondContact O-N 3.16Å; Y444-G446 PolarHBondContact O-N 2.79Å; Y444-L579 HydrophobicContact CD2-CB 4.11Å; Y444-L579 HydrophobicContact CD2-CD1 4.35Å; Y444-N580 HydrophobicContact CE2-CB 4.12Å
445L95.8Very high92.6Very high0 Ų048.9 Ų48.90%026%0.259CS..G310 helixtrans-843.4170.5-78.165.1000111.6F156 Y160 R240 G241 W442 S443 V447 I576 L579F156-L445 HydrophobicContact CE2-CD2 4.27Å; F156-L445 HydrophobicContact CZ-CD1 4.07Å; F156-L445 HydrophobicContact CZ-CD2 4.11Å; Y160-L445 HydrophobicContact CD1-CD1 4.28Å; Y160-L445 HydrophobicContact CD1-CG 4.11Å; Y160-L445 HydrophobicContact CD2-CD1 4.29Å; Y160-L445 HydrophobicContact CD2-CG 4.36Å; Y160-L445 HydrophobicContact CE1-CG 4.32Å; Y160-L445 HydrophobicContact CG-CD1 3.95Å; Y160-L445 HydrophobicContact CG-CG 4.14Å; R240-L445 HydrophobicContact CB-CD2 4.18Å; R240-L445 HydrophobicContact CG-CD2 4.05Å; G241-L445 WeakPolarHBondContact CA-O 3.27Å; W442-L445 HydrophobicContact CE3-CD2 4.31Å; W442-L445 HydrophobicContact CZ3-CD2 4.4Å; W442-L445 WeakPolarHBondContact O-CB 3.31Å; W442-L445 PolarHBondContact O-N 2.89Å; S443-L445 VanDerWaalsContact C-N 3.26Å; S443-L445 PolarHBondContact O-N 3.31Å; L445-V447 VanDerWaalsContact C-N 3.32Å; L445-V447 HydrophobicContact CB-CG2 4.21Å; L445-I576 HydrophobicContact CD2-CD1 4.37Å; L445-L579 HydrophobicContact CD1-CD1 3.66Å
446G93.8Very high91.6Very high24 Ų2450.2 Ų50.225%0.24729%0.286CS..THydrogen-bonded Turntrans7717.7-175.400000113.6S443 Y444S443-G446 PolarHBondContact O-N 2.85Å; Y444-G446 PolarHBondContact O-N 2.79Å
447V94.9Very high91Very high9 Ų954.4 Ų54.46%0.05530%0.301CS..  trans-92.7126.9178-177.40000109.7P244 F413 W442 S443 L445 I449P244-V447 HydrophobicContact CB-CG1 4.21Å; P244-V447 HydrophobicContact CB-CG2 4.05Å; P244-V447 HydrophobicContact CG-CG1 3.92Å; P244-V447 HydrophobicContact CG-CG2 4.14Å; F413-V447 HydrophobicContact CD1-CG1 3.77Å; F413-V447 HydrophobicContact CE1-CG1 3.49Å; F413-V447 VanDerWaalsContact CE1-CG1 3.49Å; F413-V447 HydrophobicContact CZ-CG1 4.4Å; W442-V447 HydrophobicContact CE3-CG2 4.24Å; W442-V447 PolarHBondContact O-N 2.83Å; S443-V447 WeakPolarHBondContact CA-O 3.27Å; L445-V447 VanDerWaalsContact C-N 3.32Å; L445-V447 HydrophobicContact CB-CG2 4.21Å; V447-I449 PolarHBondContact O-N 2.76Å
448P94.1Very high90.3Very high39 Ų3956 Ų5625%0.25331%0.314SS..  trans-64.2117.3178.9-23.334.5000112.7
449I95.6Very high89.8Confident5 Ų563.6 Ų63.63%0.02635%0.353CS..  trans-111.9-61.3172.7-56.6-60.7000110.2I412 F413 G417 T418 L423 I439 W442 V447I412-I449 HydrophobicContact CG2-CD1 3.88Å; F413-I449 HydrophobicContact CE1-CD1 3.95Å; G417-I449 CarbonylContact C-O 3.53Å; G417-I449 VanDerWaalsContact CA-O 3.31Å; G417-I449 WeakPolarHBondContact CA-O 3.47Å; T418-I449 PolarHBondContact N-O 2.95Å; L423-I449 HydrophobicContact CD2-CG2 4.12Å; I439-I449 HydrophobicContact CG2-CG2 4.26Å; W442-I449 HydrophobicContact CB-CD1 3.64Å; W442-I449 HydrophobicContact CB-CG1 3.71Å; W442-I449 HydrophobicContact CG-CD1 4.38Å; V447-I449 PolarHBondContact O-N 2.76Å
450V92.5Very high89.4Confident49 Ų4967.5 Ų67.530%0.29737%0.368SS..SBendtrans-140.2135.5171.3179.10000108.2T418 E420 L423T418-V450 HydrophobicContact CG2-CG2 4.16Å; E420-V450 HydrophobicContact CB-CG1 4.19Å; E420-V450 WeakPolarHBondContact OE2-CG1 3.42Å; L423-V450 HydrophobicContact CD2-CG2 3.85Å
451P89.2Confident89.1Confident103 Ų10367.1 Ų67.167%0.66937%0.368SS*.SBendcis-79.5176.2-6.634.5-35.9000112.7S453P451-S453 PolarHBondContact O-N 2.98Å
452Q85.8Confident88.6Confident111 Ų11173.5 Ų73.552%0.51940%0.402SS..  trans-54.4128.6170.2-91.2178.3-15.200112.1G417G417-Q452 WeakPolarHBondContact O-CG 3.41Å; G417-Q452 PolarHBondContact O-NE2 3.45Å
453S86.3Confident88.1Confident35 Ų3574.5 Ų74.525%0.24541%0.406CS..  trans-91.5135.4178.4177.70000111.1N416 P451 Q455N416-S453 WeakPolarHBondContact ND2-CB 3.47Å; N416-S453 PolarHBondContact ND2-O 3.43Å; N416-S453 PolarHBondContact O-N 3.12Å; P451-S453 PolarHBondContact O-N 2.98Å; S453-Q455 VanDerWaalsContact C-N 3.28Å; S453-Q455 WeakPolarHBondContact OG-CB 3.27Å; S453-Q455 PolarHBondContact OG-N 2.79Å
454Q77.3Confident87.3Confident203 Ų20375.7 Ų75.795%0.94941%0.414SS*.  trans-84.1-2.4172.5-63-172-1.500112.9G456Q454-G456 PolarHBondContact O-N 2.8Å
455Q76.8Confident86.4Confident133 Ų13377 Ų7762%0.62144%0.441SS*.SBendtrans-65.8129.9176.8-67.8-176.60.300109.9N416 S453N416-Q455 PolarHBondContact ND2-O 3.45Å; S453-Q455 VanDerWaalsContact C-N 3.28Å; S453-Q455 WeakPolarHBondContact OG-CB 3.27Å; S453-Q455 PolarHBondContact OG-N 2.79Å
456G72.6Confident85.6Confident75 Ų7582.2 Ų82.277%0.77347%0.466SS*.PPolyproline II helixtrans-61.2144.6174.100000111.3Q454Q454-G456 PolarHBondContact O-N 2.8Å
457K80.3Confident84.9Confident110 Ų11084.7 Ų84.748%0.47847%0.471SS..PPolyproline II helixtrans-64.6149.8171.7-69.9-175.3171.1-167.80110.5F413 S414F413-K457 VanDerWaalsContact O-CE 3.26Å; F413-K457 WeakPolarHBondContact O-CE 3.11Å; F413-K457 PolarHBondContact O-NZ 2.96Å; S414-K457 VanDerWaalsContact CA-NZ 3.32Å; S414-K457 WeakPolarHBondContact O-CE 3.31Å; S414-K457 PolarHBondContact O-NZ 2.89Å
458P83.1Confident84.3Confident71 Ų7189.9 Ų89.946%0.46150%0.503SS..PPolyproline II helixtrans-58.8142.8173.825-33000110.5F477P458-F477 HydrophobicContact CB-CE1 4.05Å; P458-F477 HydrophobicContact CB-CE2 4.38Å; P458-F477 HydrophobicContact CB-CZ 3.78Å; P458-F477 HydrophobicContact CG-CE1 4.27Å; P458-F477 HydrophobicContact CG-CZ 4.38Å
459L85.3Confident84.1Confident169 Ų16991.3 Ų91.389%0.88551%0.505SS*.PPolyproline II helixtrans-68.8130.4174.4-73.4159.3000108.8
460R90.4Very high83.8Confident82 Ų8297.3 Ų97.331%0.30953%0.533SS..  trans-106.6150.3177-69.8-160.558.4-141.4-23.1111W474 T475 F477 D480R460-W474 VanDerWaalsContact NH1-CE3 3.33Å; R460-T475 PolarHBondContact NH2-O 2.68Å; R460-F477 HydrophobicContact CG-CD2 4.45Å; R460-D480 IonicContact NE-OD2 2.75Å
461K90.8Very high83.8Confident55 Ų5596.7 Ų96.724%0.23953%0.528CS..  trans-70.1140.3172.6-68.2-179177.2177.70110.2R463 D480 E483 D484K461-R463 PolarHBondContact O-N 2.92Å; K461-D480 HydrophobicContact CD-CB 4.26Å; K461-D480 HydrophobicContact CG-CB 4.32Å; K461-D480 PolarHBondContact N-OD2 3.03Å; K461-D480 VanDerWaalsContact N-OD2 3.11Å; K461-E483 WeakPolarHBondContact CD-OE2 3.41Å; K461-E483 IonicContact NZ-OE2 3.64Å; K461-E483 PolarHBondContact NZ-OE2 2.86Å; K461-D484 VanDerWaalsContact CE-CG 3.43Å; K461-D484 WeakPolarHBondContact CE-OD1 3.5Å; K461-D484 WeakPolarHBondContact CE-OD2 3.35Å; K461-D484 IonicContact NZ-OD1 3.06Å; K461-D484 PolarHBondContact NZ-OD1 2.82Å; K461-D484 IonicContact NZ-OD2 2.7Å
462D86.2Confident84Confident136 Ų13693.2 Ų93.273%0.72751%0.506SS*.  trans-73.6119.7172.4-176.75000109.6S464D462-S464 WeakPolarHBondContact OD1-CB 3.05Å; D462-S464 PolarHBondContact OD1-N 3Å; D462-S464 PolarHBondContact OD1-OG 2.58Å
463R86.5Confident84.4Confident21 Ų2188.4 Ų88.48%0.07948%0.483CS..  trans-124.518-178.4-62.3-175.3-176.5-88.6-0.6112.5K461 A465 E466 D480 E483K461-R463 PolarHBondContact O-N 2.92Å; R463-A465 PolarHBondContact O-N 2.91Å; R463-E466 IonicContact NH1-OE1 3.9Å; R463-E466 IonicContact NH1-OE2 3.14Å; R463-E466 PolarHBondContact O-N 3.25Å; R463-D480 IonicContact CZ-OD1 2.67Å; R463-D480 IonicContact NE-OD1 3.72Å; R463-D480 PolarHBondContact NE-OD1 3.04Å; R463-D480 IonicContact NH2-OD1 3.35Å; R463-D480 PolarHBondContact NH2-OD1 3.04Å; R463-E483 IonicContact CZ-OE1 3.78Å; R463-E483 IonicContact CZ-OE2 3.66Å; R463-E483 IonicContact NH1-OE1 2.66Å; R463-E483 PolarHBondContact NH1-OE1 3.05Å; R463-E483 IonicContact NH1-OE2 2.69Å; R463-E483 IonicContact NH2-OE1 3.34Å; R463-E483 PolarHBondContact NH2-OE1 3.13Å; R463-E483 IonicContact NH2-OE2 2.74Å; R463-E483 PolarHBondContact NH2-OE2 3.37Å
464S79.9Confident84.8Confident78 Ų7887.7 Ų87.755%0.54548%0.475SS..THydrogen-bonded Turntrans-52.2-29-176.8-51.10000113.3D462D462-S464 WeakPolarHBondContact OD1-CB 3.05Å; D462-S464 PolarHBondContact OD1-N 3Å; D462-S464 PolarHBondContact OD1-OG 2.58Å
465A77.9Confident85.7Confident108 Ų10878.9 Ų78.989%0.89344%0.435SS*.THydrogen-bonded Turntrans-78.5-19.2179.200000114.8R463R463-A465 PolarHBondContact O-N 2.91Å
466E79.4Confident86.7Confident110 Ų11072.5 Ų72.551%0.51441%0.406SS..THydrogen-bonded Turntrans-86.3-15.7177.8-64.9179.9-171.900111.9R463 T468 K479R463-E466 IonicContact NH1-OE1 3.9Å; R463-E466 IonicContact NH1-OE2 3.14Å; R463-E466 PolarHBondContact O-N 3.25Å; E466-T468 PolarHBondContact O-N 2.81Å; E466-T468 PolarHBondContact O-OG1 3.27Å; E466-K479 IonicContact OE2-NZ 3.24Å; E466-K479 PolarHBondContact OE2-NZ 3.02Å
467E78.2Confident87.9Confident77 Ų7770.1 Ų70.136%0.3637%0.374SS..  trans-69.695.2-174.4-64.3-176.9-174.600111.8R473E467-R473 HydrophobicContact CG-CB 4.32Å; E467-R473 HydrophobicContact CG-CG 4.3Å; E467-R473 WeakPolarHBondContact OE2-CD 3.43Å; E467-R473 VanDerWaalsContact OE2-CG 3.32Å; E467-R473 WeakPolarHBondContact OE2-CG 3.19Å
468T82.3Confident88.7Confident117 Ų11764.9 Ų64.972%0.71835%0.351SS*.  trans-86.6-30.9177.3-52.60000112.3E466E466-T468 PolarHBondContact O-N 2.81Å; E466-T468 PolarHBondContact O-OG1 3.27Å
469F89.6Confident89.4Confident70 Ų7062.3 Ų62.331%0.30733%0.333SS..  trans-122.6125.6-173.9-59.1-76.7000111.1H296 A298 V299 L471 S472H296-F469 HydrophobicContact CB-CD2 4.03Å; H296-F469 HydrophobicContact CB-CE2 3.57Å; H296-F469 HydrophobicContact CB-CZ 4.12Å; H296-F469 AromaticContact CD2-CD2 3.7Å; H296-F469 AromaticContact CD2-CG 4Å; H296-F469 AromaticContact CE1-CD1 3.73Å; H296-F469 AromaticContact CE1-CG 3.78Å; H296-F469 AromaticContact CG-CD2 3.6Å; H296-F469 AromaticContact CG-CE2 3.52Å; H296-F469 AromaticContact CG-CZ 3.94Å; H296-F469 AromaticContact ND1-CD1 3.86Å; H296-F469 AromaticContact ND1-CD2 3.84Å; H296-F469 AromaticContact ND1-CE1 3.71Å; H296-F469 AromaticContact ND1-CE2 3.69Å; H296-F469 AromaticContact ND1-CG 3.94Å; H296-F469 AromaticContact ND1-CZ 3.62Å; H296-F469 AromaticContact NE2-CG 3.81Å; A298-F469 HydrophobicContact CB-CE1 4.03Å; A298-F469 HydrophobicContact CB-CZ 4.44Å; V299-F469 HydrophobicContact CG2-CE2 4.45Å; V299-F469 HydrophobicContact CG2-CZ 3.96Å; F469-L471 PolarHBondContact O-N 3.49Å; F469-L471 VanDerWaalsContact O-N 3.16Å; F469-S472 CarbonylContact O-C 3.55Å; F469-S472 PolarHBondContact O-N 2.83Å
470Q89.5Confident90Very high130 Ų13054.3 Ų54.361%0.60729%0.291SS*.THydrogen-bonded Turntrans-61.8-25.5-177.5-66.6-178.2-22.900114.1A378 R473A378-Q470 HydrophobicContact CB-CB 4.4Å; A378-Q470 HydrophobicContact CB-CG 4.34Å; Q470-R473 PolarHBondContact O-NE 3.39Å
471L92.4Very high90.3Very high37 Ų3750.6 Ų50.619%0.19428%0.277CS..THydrogen-bonded Turntrans-93.14.1179.8-59.2-178.5000113.4L252 F358 E363 C366 K367 Q370 F469L252-L471 HydrophobicContact CD1-CB 3.65Å; L252-L471 HydrophobicContact CD1-CD1 4.44Å; F358-L471 HydrophobicContact CZ-CD1 3.91Å; E363-L471 HydrophobicContact CG-CD1 4.27Å; C366-L471 HydrophobicContact CB-CB 4.35Å; C366-L471 HydrophobicContact CB-CD2 4.35Å; K367-L471 HydrophobicContact CB-CD2 3.84Å; Q370-L471 WeakPolarHBondContact CG-O 3.27Å; F469-L471 PolarHBondContact O-N 3.49Å; F469-L471 VanDerWaalsContact O-N 3.16Å
472S93.5Very high90.5Very high30 Ų3048 Ų4821%0.2127%0.266CS..  trans-142.954.2-178.6-57.20000110.8L252 F469L252-S472 WeakPolarHBondContact CB-OG 3.25Å; F469-S472 CarbonylContact O-C 3.55Å; F469-S472 PolarHBondContact O-N 2.83Å
473R94.1Very high91Very high9 Ų942.8 Ų42.83%0.03424%0.237CC..  trans-86.9-32.1-179.8-65.3176.2-80.1149.6-1.9111.6Q370 D371 L374 T376 D377 E467 Q470 T475Q370-R473 VanDerWaalsContact CB-NH2 3.29Å; D371-R473 IonicContact OD1-CZ 2.77Å; D371-R473 IonicContact OD1-NH1 3.93Å; D371-R473 IonicContact OD1-NH2 2.76Å; D371-R473 PolarHBondContact OD1-NH2 2.87Å; L374-R473 HydrophobicContact CD1-CB 3.36Å; L374-R473 HydrophobicContact CD1-CG 4.41Å; T376-R473 PolarHBondContact O-NH1 2.74Å; D377-R473 PolarHBondContact O-NH1 2.69Å; E467-R473 HydrophobicContact CG-CB 4.32Å; E467-R473 HydrophobicContact CG-CG 4.3Å; E467-R473 WeakPolarHBondContact OE2-CD 3.43Å; E467-R473 VanDerWaalsContact OE2-CG 3.32Å; E467-R473 WeakPolarHBondContact OE2-CG 3.19Å; Q470-R473 PolarHBondContact O-NE 3.39Å; R473-T475 PolarHBondContact O-N 3.36Å
474W95.2Very high91.4Very high20 Ų2043.6 Ų43.68%0.07624%0.243CC..  trans-58.9134.5176.8-178.2-96.9000111.6V245 S246 L249 A373 L374 R460V245-W474 HydrophobicContact CB-CH2 3.82Å; V245-W474 HydrophobicContact CB-CZ2 3.56Å; V245-W474 HydrophobicContact CG1-CD2 3.84Å; V245-W474 HydrophobicContact CG1-CE3 4.01Å; V245-W474 HydrophobicContact CG1-CH2 3.67Å; V245-W474 HydrophobicContact CG1-CZ2 3.47Å; V245-W474 VanDerWaalsContact CG1-CZ2 3.47Å; V245-W474 HydrophobicContact CG1-CZ3 3.93Å; V245-W474 HydrophobicContact CG2-CH2 4.14Å; V245-W474 HydrophobicContact CG2-CZ2 4.36Å; S246-W474 PolarHBondContact OG-NE1 3.46Å; L249-W474 HydrophobicContact CD1-CB 3.66Å; L249-W474 HydrophobicContact CD1-CD2 3.85Å; L249-W474 HydrophobicContact CD1-CG 3.27Å; A373-W474 HydrophobicContact CB-CD2 4.33Å; A373-W474 HydrophobicContact CB-CE3 3.8Å; A373-W474 HydrophobicContact CB-CZ3 4.31Å; A373-W474 WeakPolarHBondContact O-CZ3 3.44Å; L374-W474 HydrophobicContact CD2-CE3 3.75Å; L374-W474 HydrophobicContact CD2-CZ3 4.31Å; L374-W474 HydrophobicContact CG-CE3 4.28Å; R460-W474 VanDerWaalsContact NH1-CE3 3.33Å
475T96.5Very high92Very high18 Ų1840 Ų4011%0.1122%0.218CC..  trans-121.4126.3172.6-64.70000107.6R460 R473 F477 K479R460-T475 PolarHBondContact NH2-O 2.68Å; R473-T475 PolarHBondContact O-N 3.36Å; T475-F477 PolarHBondContact O-N 3.37Å; T475-K479 HydrophobicContact CG2-CB 3.93Å; T475-K479 HydrophobicContact CG2-CD 3.58Å; T475-K479 HydrophobicContact CG2-CG 4.34Å
476P97.5Very high92.6Very high0 Ų035.3 Ų35.30%018%0.178CC..  trans-54137.7177.7-28.635.8000112.8S246 I478 K479 E543S246-P476 VanDerWaalsContact OG-CA 3.28Å; S246-P476 WeakPolarHBondContact OG-CA 2.91Å; S246-P476 WeakPolarHBondContact OG-CB 3.45Å; P476-I478 HydrophobicContact CB-CG2 4.09Å; P476-I478 PolarHBondContact O-N 2.95Å; P476-I478 VanDerWaalsContact O-N 3.11Å; P476-K479 WeakPolarHBondContact O-CB 3.36Å; P476-K479 PolarHBondContact O-N 2.79Å; P476-E543 HydrophobicContact CB-CG 3.99Å
477F96.9Very high93.1Very high24 Ų2433.2 Ų33.211%0.10517%0.17CC..Hα-helixtrans-63.9-23.3-174.8-176.6-136.3000112.2F242 D243 P458 R460 T475 K479 D480 I481F242-F477 AromaticContact CD2-CD1 3.93Å; F242-F477 HydrophobicContact CD2-CD1 3.93Å; F242-F477 HydrophobicContact CE2-CD1 4.43Å; D243-F477 HydrophobicContact CB-CB 4.12Å; D243-F477 PolarHBondContact OD2-N 3.42Å; P458-F477 HydrophobicContact CB-CE1 4.05Å; P458-F477 HydrophobicContact CB-CE2 4.38Å; P458-F477 HydrophobicContact CB-CZ 3.78Å; P458-F477 HydrophobicContact CG-CE1 4.27Å; P458-F477 HydrophobicContact CG-CZ 4.38Å; R460-F477 HydrophobicContact CG-CD2 4.45Å; T475-F477 PolarHBondContact O-N 3.37Å; F477-K479 PolarHBondContact O-N 3.38Å; F477-D480 HydrophobicContact CD2-CB 4.03Å; F477-D480 HydrophobicContact CE2-CB 4.17Å; F477-D480 WeakPolarHBondContact O-CB 3.47Å; F477-D480 PolarHBondContact O-N 3.27Å; F477-D480 VanDerWaalsContact O-N 3.14Å; F477-I481 HydrophobicContact CD1-CD1 3.86Å; F477-I481 HydrophobicContact CD1-CG1 4.47Å; F477-I481 HydrophobicContact CE1-CD1 3.86Å; F477-I481 HydrophobicContact CE1-CG1 4.24Å; F477-I481 HydrophobicContact CG-CD1 4.38Å; F477-I481 HydrophobicContact CZ-CD1 4.39Å; F477-I481 HydrophobicContact CZ-CG1 4.26Å; F477-I481 PolarHBondContact O-N 3.48Å
478I97.5Very high93.6Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-59.3-29.7174.8-160.965.2000113.1I238 F242 P476 I481 M482 V533 E543 C546 I561I238-I478 HydrophobicContact CD1-CD1 3.31Å; F242-I478 HydrophobicContact CE2-CB 4.04Å; F242-I478 HydrophobicContact CE2-CD1 4.02Å; F242-I478 HydrophobicContact CZ-CB 4.1Å; F242-I478 HydrophobicContact CZ-CD1 4.11Å; P476-I478 HydrophobicContact CB-CG2 4.09Å; P476-I478 PolarHBondContact O-N 2.95Å; P476-I478 VanDerWaalsContact O-N 3.11Å; I478-I481 HydrophobicContact CD1-CB 4.36Å; I478-I481 HydrophobicContact CD1-CD1 4.15Å; I478-I481 HydrophobicContact CD1-CG2 4.44Å; I478-I481 PolarHBondContact O-N 2.67Å; I478-M482 HydrophobicContact CG1-CE 3.61Å; I478-M482 HydrophobicContact CG1-CG 4.36Å; I478-M482 HydrophobicContact CG1-SD 4.29Å; I478-M482 HydrophobicContact CG2-CE 4.24Å; I478-M482 WeakPolarHBondContact O-CB 3.47Å; I478-M482 WeakPolarHBondContact O-CG 3.36Å; I478-M482 PolarHBondContact O-N 2.89Å; I478-V533 HydrophobicContact CD1-CG1 3.87Å; I478-V533 HydrophobicContact CG1-CG1 4.33Å; I478-E543 HydrophobicContact CG2-CB 3.95Å; I478-E543 HydrophobicContact CG2-CG 3.81Å; I478-C546 HydrophobicContact CG2-CB 4.06Å; I478-I561 HydrophobicContact CG1-CD1 4.43Å
479K97.8Very high94Very high17 Ų1735.8 Ų35.87%0.07417%0.169CC..Hα-helixtrans-63.9-44176.4-166.7178.6177.4176.80111.3E466 T475 P476 F477 I481 M482 E483 C546 E549 V550E466-K479 IonicContact OE2-NZ 3.24Å; E466-K479 PolarHBondContact OE2-NZ 3.02Å; T475-K479 HydrophobicContact CG2-CB 3.93Å; T475-K479 HydrophobicContact CG2-CD 3.58Å; T475-K479 HydrophobicContact CG2-CG 4.34Å; P476-K479 WeakPolarHBondContact O-CB 3.36Å; P476-K479 PolarHBondContact O-N 2.79Å; F477-K479 PolarHBondContact O-N 3.38Å; K479-I481 VanDerWaalsContact C-N 3.32Å; K479-I481 PolarHBondContact O-N 3.45Å; K479-M482 PolarHBondContact O-N 2.81Å; K479-E483 WeakPolarHBondContact O-CG 3.36Å; K479-E483 PolarHBondContact O-N 3.3Å; K479-C546 HydrophobicContact CB-CB 3.99Å; K479-C546 HydrophobicContact CG-CB 4.31Å; K479-E549 WeakPolarHBondContact CE-OE2 3.48Å; K479-E549 IonicContact NZ-OE2 3.78Å; K479-E549 PolarHBondContact NZ-OE2 3.1Å; K479-V550 HydrophobicContact CG-CG2 3.78Å
480D96.9Very high94.1Very high2 Ų233.2 Ų33.21%0.01116%0.158CC..Hα-helixtrans-61.2-44.5176.7-65.1-7000110R460 K461 R463 F477 D484R460-D480 IonicContact NE-OD2 2.75Å; K461-D480 HydrophobicContact CD-CB 4.26Å; K461-D480 HydrophobicContact CG-CB 4.32Å; K461-D480 PolarHBondContact N-OD2 3.03Å; K461-D480 VanDerWaalsContact N-OD2 3.11Å; R463-D480 IonicContact CZ-OD1 2.67Å; R463-D480 IonicContact NE-OD1 3.72Å; R463-D480 PolarHBondContact NE-OD1 3.04Å; R463-D480 IonicContact NH2-OD1 3.35Å; R463-D480 PolarHBondContact NH2-OD1 3.04Å; F477-D480 HydrophobicContact CD2-CB 4.03Å; F477-D480 HydrophobicContact CE2-CB 4.17Å; F477-D480 WeakPolarHBondContact O-CB 3.47Å; F477-D480 PolarHBondContact O-N 3.27Å; F477-D480 VanDerWaalsContact O-N 3.14Å; D480-D484 WeakPolarHBondContact O-CB 3.2Å; D480-D484 PolarHBondContact O-N 3.43Å
481I96.8Very high94.2Very high3 Ų331.1 Ų31.12%0.01515%0.151CC..Hα-helixtrans-61.5-46177.3-64.2165.1000111.6L236 I238 F242 F477 I478 K479 D484 A485 L490 W495L236-I481 HydrophobicContact CD1-CG2 3.87Å; I238-I481 HydrophobicContact CD1-CD1 4.47Å; I238-I481 HydrophobicContact CD1-CG2 4.49Å; F242-I481 HydrophobicContact CD2-CD1 3.81Å; F242-I481 HydrophobicContact CE2-CD1 3.94Å; F477-I481 HydrophobicContact CD1-CD1 3.86Å; F477-I481 HydrophobicContact CD1-CG1 4.47Å; F477-I481 HydrophobicContact CE1-CD1 3.86Å; F477-I481 HydrophobicContact CE1-CG1 4.24Å; F477-I481 HydrophobicContact CG-CD1 4.38Å; F477-I481 HydrophobicContact CZ-CD1 4.39Å; F477-I481 HydrophobicContact CZ-CG1 4.26Å; F477-I481 PolarHBondContact O-N 3.48Å; I478-I481 HydrophobicContact CD1-CB 4.36Å; I478-I481 HydrophobicContact CD1-CD1 4.15Å; I478-I481 HydrophobicContact CD1-CG2 4.44Å; I478-I481 PolarHBondContact O-N 2.67Å; K479-I481 VanDerWaalsContact C-N 3.32Å; K479-I481 PolarHBondContact O-N 3.45Å; I481-D484 PolarHBondContact O-N 2.98Å; I481-A485 VanDerWaalsContact O-CB 3.31Å; I481-A485 WeakPolarHBondContact O-CB 3.25Å; I481-A485 PolarHBondContact O-N 3.4Å; I481-L490 HydrophobicContact CG2-CD1 4.23Å; I481-W495 HydrophobicContact CD1-CH2 3.9Å; I481-W495 HydrophobicContact CD1-CZ2 3.64Å; I481-W495 HydrophobicContact CG1-CH2 4.4Å; I481-W495 HydrophobicContact CG1-CZ2 3.86Å; I481-W495 HydrophobicContact CG2-CH2 3.78Å; I481-W495 HydrophobicContact CG2-CZ2 3.81Å; I481-W495 HydrophobicContact CG2-CZ3 4.45Å
482M96.9Very high94.1Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-61.8-48.3-179.7-72.7163.2174.600111.4I478 K479 A485 I486 L531 V533 C546 A547 V550 V559 I561I478-M482 HydrophobicContact CG1-CE 3.61Å; I478-M482 HydrophobicContact CG1-CG 4.36Å; I478-M482 HydrophobicContact CG1-SD 4.29Å; I478-M482 HydrophobicContact CG2-CE 4.24Å; I478-M482 WeakPolarHBondContact O-CB 3.47Å; I478-M482 WeakPolarHBondContact O-CG 3.36Å; I478-M482 PolarHBondContact O-N 2.89Å; K479-M482 PolarHBondContact O-N 2.81Å; M482-A485 PolarHBondContact O-N 3.33Å; M482-I486 VanDerWaalsContact O-CG1 3.31Å; M482-I486 WeakPolarHBondContact O-CG1 3.37Å; M482-I486 PolarHBondContact O-N 3.19Å; M482-L531 HydrophobicContact CB-CD2 4.11Å; M482-L531 HydrophobicContact CG-CD2 4.24Å; M482-V533 HydrophobicContact CE-CG2 4.25Å; M482-V533 HydrophobicContact CG-CG2 4.34Å; M482-C546 HydrophobicContact SD-CB 4.23Å; M482-A547 HydrophobicContact CE-CB 4.09Å; M482-V550 HydrophobicContact CB-CG1 4.18Å; M482-V550 HydrophobicContact CB-CG2 4.18Å; M482-V550 HydrophobicContact SD-CG2 4.33Å; M482-V559 HydrophobicContact CE-CG1 3.77Å; M482-V559 HydrophobicContact CG-CG1 4.08Å; M482-V559 HydrophobicContact SD-CG1 3.91Å; M482-I561 HydrophobicContact CE-CB 4.33Å; M482-I561 HydrophobicContact CE-CD1 3.84Å; M482-I561 HydrophobicContact CE-CG1 4.46Å
483E95.3Very high94Very high27 Ų2739.9 Ų39.913%0.12619%0.193CC..Hα-helixtrans-63.3-44.2177.2-71171.4-175.100111.6K461 R463 K479 A485 I486 D487 V550K461-E483 WeakPolarHBondContact CD-OE2 3.41Å; K461-E483 IonicContact NZ-OE2 3.64Å; K461-E483 PolarHBondContact NZ-OE2 2.86Å; R463-E483 IonicContact CZ-OE1 3.78Å; R463-E483 IonicContact CZ-OE2 3.66Å; R463-E483 IonicContact NH1-OE1 2.66Å; R463-E483 PolarHBondContact NH1-OE1 3.05Å; R463-E483 IonicContact NH1-OE2 2.69Å; R463-E483 IonicContact NH2-OE1 3.34Å; R463-E483 PolarHBondContact NH2-OE1 3.13Å; R463-E483 IonicContact NH2-OE2 2.74Å; R463-E483 PolarHBondContact NH2-OE2 3.37Å; K479-E483 WeakPolarHBondContact O-CG 3.36Å; K479-E483 PolarHBondContact O-N 3.3Å; E483-A485 VanDerWaalsContact C-N 3.29Å; E483-A485 PolarHBondContact O-N 3.45Å; E483-I486 PolarHBondContact O-N 3.4Å; E483-D487 WeakPolarHBondContact O-CB 3.47Å; E483-D487 PolarHBondContact O-N 3.22Å; E483-V550 HydrophobicContact CG-CG1 4.45Å; E483-V550 HydrophobicContact CG-CG2 4.12Å
484D94.6Very high93.9Very high39 Ų3942.8 Ų42.821%0.20921%0.207CC..Hα-helixtrans-67.1-29.2178-76.6-19.7000113K461 D480 I481 N488 R489 L490K461-D484 VanDerWaalsContact CE-CG 3.43Å; K461-D484 WeakPolarHBondContact CE-OD1 3.5Å; K461-D484 WeakPolarHBondContact CE-OD2 3.35Å; K461-D484 IonicContact NZ-OD1 3.06Å; K461-D484 PolarHBondContact NZ-OD1 2.82Å; K461-D484 IonicContact NZ-OD2 2.7Å; D480-D484 WeakPolarHBondContact O-CB 3.2Å; D480-D484 PolarHBondContact O-N 3.43Å; I481-D484 PolarHBondContact O-N 2.98Å; D484-N488 CarbonylContact O-C 3.54Å; D484-N488 PolarHBondContact O-N 3.47Å; D484-N488 VanDerWaalsContact O-N 3.16Å; D484-R489 HydrophobicContact CB-CB 4.29Å; D484-R489 PolarHBondContact O-N 3.2Å; D484-L490 HydrophobicContact CB-CD1 4.03Å; D484-L490 PolarHBondContact O-N 3.23Å
485A92.6Very high93.9Very high1 Ų142.1 Ų42.11%0.00820%0.204CC..Hα-helixtrans-68.5-44.7171.700000111.4L236 I481 M482 E483 N488 L490 L531L236-A485 HydrophobicContact CD1-CB 3.91Å; I481-A485 VanDerWaalsContact O-CB 3.31Å; I481-A485 WeakPolarHBondContact O-CB 3.25Å; I481-A485 PolarHBondContact O-N 3.4Å; M482-A485 PolarHBondContact O-N 3.33Å; E483-A485 VanDerWaalsContact C-N 3.29Å; E483-A485 PolarHBondContact O-N 3.45Å; A485-N488 PolarHBondContact O-N 3.49Å; A485-L490 HydrophobicContact CB-CD2 4.46Å; A485-L531 HydrophobicContact CB-CD1 4.11Å; A485-L531 HydrophobicContact CB-CD2 4.03Å
486I91.4Very high93.8Very high11 Ų1142.5 Ų42.56%0.05621%0.207CC..Hα-helixtrans-64.2-41.6177.1-66.7167.7000110.9M482 E483 N488 L531 V550 H554 C557 V559M482-I486 VanDerWaalsContact O-CG1 3.31Å; M482-I486 WeakPolarHBondContact O-CG1 3.37Å; M482-I486 PolarHBondContact O-N 3.19Å; E483-I486 PolarHBondContact O-N 3.4Å; I486-N488 PolarHBondContact O-N 2.76Å; I486-L531 HydrophobicContact CD1-CD2 4.48Å; I486-L531 HydrophobicContact CG1-CD2 4.16Å; I486-V550 HydrophobicContact CD1-CG1 3.44Å; I486-V550 VanDerWaalsContact CD1-CG1 3.44Å; I486-H554 HydrophobicContact CD1-CB 4.23Å; I486-H554 HydrophobicContact CG2-CB 4.48Å; I486-C557 HydrophobicContact CD1-CB 4.14Å; I486-C557 HydrophobicContact CG1-CB 4.18Å; I486-C557 HydrophobicContact CG2-CB 4.42Å; I486-V559 HydrophobicContact CD1-CG2 4.17Å
487D90.2Very high93.4Very high66 Ų6646.7 Ų46.735%0.35322%0.224SC..THydrogen-bonded Turntrans-78.3-0.8179.3-72.3-14.2000113.4E483 R489E483-D487 WeakPolarHBondContact O-CB 3.47Å; E483-D487 PolarHBondContact O-N 3.22Å; D487-R489 VanDerWaalsContact C-N 3.26Å; D487-R489 HydrophobicContact CB-CG 4Å; D487-R489 PolarHBondContact O-N 3.42Å
488N88Confident93.1Very high68 Ų6847.6 Ų47.636%0.36423%0.232SC..THydrogen-bonded Turntrans54.535-173.7-66.9-57.3000114D484 A485 I486 V504D484-N488 CarbonylContact O-C 3.54Å; D484-N488 PolarHBondContact O-N 3.47Å; D484-N488 VanDerWaalsContact O-N 3.16Å; A485-N488 PolarHBondContact O-N 3.49Å; I486-N488 PolarHBondContact O-N 2.76Å; N488-V504 PolarHBondContact ND2-O 3.4Å; N488-V504 WeakPolarHBondContact OD1-CG2 3.42Å
489R91.4Very high92.1Very high180 Ų18049 Ų4968%0.67924%0.242SC*.  trans-100.1-3.6178.7-65.3-179.4-174.3179.15114.1D484 D487 D491D484-R489 HydrophobicContact CB-CB 4.29Å; D484-R489 PolarHBondContact O-N 3.2Å; D487-R489 VanDerWaalsContact C-N 3.26Å; D487-R489 HydrophobicContact CB-CG 4Å; D487-R489 PolarHBondContact O-N 3.42Å; R489-D491 PolarHBondContact O-N 3.19Å
490L90.9Very high90.6Very high16 Ų1657.2 Ų57.28%0.08428%0.281CS..SBendtrans-68.9116.6-177.6-155.974.2000111.9R195 L236 I481 D484 A485 S492 W495R195-L490 PolarHBondContact NH2-O 3.11Å; L236-L490 HydrophobicContact CD1-CD2 4.5Å; L236-L490 HydrophobicContact CD2-CD2 4.33Å; I481-L490 HydrophobicContact CG2-CD1 4.23Å; D484-L490 HydrophobicContact CB-CD1 4.03Å; D484-L490 PolarHBondContact O-N 3.23Å; A485-L490 HydrophobicContact CB-CD2 4.46Å; L490-S492 PolarHBondContact O-N 3.18Å; L490-W495 HydrophobicContact CD1-CD2 4.28Å; L490-W495 HydrophobicContact CD1-CG 4.11Å; L490-W495 HydrophobicContact CD2-CB 3.6Å; L490-W495 HydrophobicContact CD2-CD2 3.57Å; L490-W495 HydrophobicContact CD2-CE3 3.98Å; L490-W495 HydrophobicContact CD2-CG 3.4Å; L490-W495 VanDerWaalsContact CD2-CG 3.4Å; L490-W495 HydrophobicContact CG-CB 3.83Å; L490-W495 VanDerWaalsContact CG-CD1 3.41Å; L490-W495 HydrophobicContact CG-CD2 3.99Å; L490-W495 HydrophobicContact CG-CG 3.48Å; L490-W495 VanDerWaalsContact CG-CG 3.48Å
491D91.2Very high88.9Confident85 Ų8558.5 Ų58.546%0.45529%0.29SS..  trans-56.2128-176.1177.919000112.1R489 K493 E494 W495R489-D491 PolarHBondContact O-N 3.19Å; D491-K493 VanDerWaalsContact C-N 3.27Å; D491-K493 PolarHBondContact O-N 2.84Å; D491-K493 PolarHBondContact OD1-N 3.26Å; D491-E494 HydrophobicContact CB-CB 4.39Å; D491-E494 PolarHBondContact O-N 3.48Å; D491-W495 WeakPolarHBondContact O-CA 3.24Å; D491-W495 VanDerWaalsContact O-CB 3.3Å; D491-W495 WeakPolarHBondContact O-CB 3.04Å; D491-W495 PolarHBondContact O-N 3.11Å
492S91.1Very high87.2Confident73 Ų7361.3 Ų61.351%0.5131%0.308SS..THydrogen-bonded Turntrans-71.9-17.1-178.9-60.30000113.8L490 P496L490-S492 PolarHBondContact O-N 3.18Å; S492-P496 VanDerWaalsContact O-CA 3.31Å; S492-P496 WeakPolarHBondContact O-CA 3.46Å
493K91.6Very high85.4Confident178 Ų17865 Ų6577%0.77434%0.338SS*.THydrogen-bonded Turntrans-78.6-40.2173.4-65.3178.6179.4175.70112S198 D491S198-K493 PolarHBondContact OG-O 3.44Å; D491-K493 VanDerWaalsContact C-N 3.27Å; D491-K493 PolarHBondContact O-N 2.84Å; D491-K493 PolarHBondContact OD1-N 3.26Å
494E92.4Very high83.5Confident71 Ų7164.3 Ų64.333%0.33234%0.336SS..THydrogen-bonded Turntrans-80.1-30.8177.2-172.7167.2-153.300112.3K197 S198 D491 P496K197-E494 HydrophobicContact CD-CG 3.8Å; K197-E494 WeakPolarHBondContact CE-OE1 3.49Å; K197-E494 IonicContact NZ-OE1 3.33Å; K197-E494 PolarHBondContact NZ-OE1 3.5Å; S198-E494 PolarHBondContact N-O 2.98Å; S198-E494 PolarHBondContact OG-O 2.71Å; D491-E494 HydrophobicContact CB-CB 4.39Å; D491-E494 PolarHBondContact O-N 3.48Å; E494-P496 VanDerWaalsContact C-CD 3.42Å; E494-P496 WeakPolarHBondContact O-CD 3.49Å
495W94.2Very high81.6Confident5 Ų566.3 Ų66.32%0.01934%0.34CS..SBendtrans-126.765.3-177.6-60.290000112.1R195 Y196 K197 I238 I481 L490 D491R195-W495 PolarHBondContact NE-O 2.88Å; R195-W495 PolarHBondContact NH2-O 3.48Å; Y196-W495 WeakPolarHBondContact O-CA 3.4Å; K197-W495 HydrophobicContact CB-CE3 4.16Å; K197-W495 HydrophobicContact CB-CH2 3.94Å; K197-W495 HydrophobicContact CB-CZ2 4.43Å; K197-W495 HydrophobicContact CB-CZ3 3.81Å; K197-W495 HydrophobicContact CD-CD2 4.07Å; K197-W495 HydrophobicContact CD-CE3 4.41Å; K197-W495 HydrophobicContact CD-CH2 3.95Å; K197-W495 HydrophobicContact CD-CZ2 3.57Å; K197-W495 HydrophobicContact CD-CZ3 4.37Å; K197-W495 HydrophobicContact CG-CH2 4.38Å; K197-W495 HydrophobicContact CG-CZ2 4.45Å; I238-W495 HydrophobicContact CD1-CH2 3.6Å; I238-W495 HydrophobicContact CD1-CZ3 3.98Å; I238-W495 HydrophobicContact CG1-CH2 3.62Å; I238-W495 HydrophobicContact CG1-CZ3 3.64Å; I238-W495 HydrophobicContact CG2-CH2 4.26Å; I481-W495 HydrophobicContact CD1-CH2 3.9Å; I481-W495 HydrophobicContact CD1-CZ2 3.64Å; I481-W495 HydrophobicContact CG1-CH2 4.4Å; I481-W495 HydrophobicContact CG1-CZ2 3.86Å; I481-W495 HydrophobicContact CG2-CH2 3.78Å; I481-W495 HydrophobicContact CG2-CZ2 3.81Å; I481-W495 HydrophobicContact CG2-CZ3 4.45Å; L490-W495 HydrophobicContact CD1-CD2 4.28Å; L490-W495 HydrophobicContact CD1-CG 4.11Å; L490-W495 HydrophobicContact CD2-CB 3.6Å; L490-W495 HydrophobicContact CD2-CD2 3.57Å; L490-W495 HydrophobicContact CD2-CE3 3.98Å; L490-W495 HydrophobicContact CD2-CG 3.4Å; L490-W495 VanDerWaalsContact CD2-CG 3.4Å; L490-W495 HydrophobicContact CG-CB 3.83Å; L490-W495 VanDerWaalsContact CG-CD1 3.41Å; L490-W495 HydrophobicContact CG-CD2 3.99Å; L490-W495 HydrophobicContact CG-CG 3.48Å; L490-W495 VanDerWaalsContact CG-CG 3.48Å; D491-W495 WeakPolarHBondContact O-CA 3.24Å; D491-W495 VanDerWaalsContact O-CB 3.3Å; D491-W495 WeakPolarHBondContact O-CB 3.04Å; D491-W495 PolarHBondContact O-N 3.11Å
496P94.1Very high79.7Confident27 Ų2770.9 Ų70.918%0.17537%0.365CS..  trans-61.1156.4178.727.3-38.2000112.8R195 Y196 S492 E494R195-P496 WeakPolarHBondContact CA-O 3.43Å; Y196-P496 HydrophobicContact CD1-CG 4.29Å; Y196-P496 HydrophobicContact CD2-CG 4.01Å; Y196-P496 HydrophobicContact CE1-CB 4.28Å; Y196-P496 HydrophobicContact CE1-CG 3.75Å; Y196-P496 HydrophobicContact CE2-CG 3.44Å; Y196-P496 VanDerWaalsContact CE2-CG 3.44Å; Y196-P496 HydrophobicContact CG-CG 4.42Å; Y196-P496 PolarHBondContact N-O 3.31Å; Y196-P496 WeakPolarHBondContact O-CD 3.33Å; S492-P496 VanDerWaalsContact O-CA 3.31Å; S492-P496 WeakPolarHBondContact O-CA 3.46Å; E494-P496 VanDerWaalsContact C-CD 3.42Å; E494-P496 WeakPolarHBondContact O-CD 3.49Å
497Y90.6Very high77.8Confident88 Ų8872.8 Ų72.835%0.34539%0.387SS..BIsolated β-bridgetrans-92.8139.1173.3-69.1-92.8000110.3R195R195-Y497 VanDerWaalsContact CD-CE1 3.4Å; R195-Y497 HydrophobicContact CG-CD1 3.51Å; R195-Y497 HydrophobicContact CG-CE1 3.59Å; R195-Y497 HydrophobicContact CG-CG 4.09Å; R195-Y497 PolarHBondContact NH1-OH 3.17Å
498C88.6Confident75.8Confident43 Ų4372.7 Ų72.729%0.29139%0.392SS..SBendtrans-73.9-36.7165.7-66.40000111.3V194 A208 E212V194-C498 HydrophobicContact CB-CB 4.23Å; V194-C498 PolarHBondContact O-N 3.45Å; A208-C498 VanDerWaalsContact CB-SG 3.58Å; E212-C498 HydrophobicContact CB-CB 3.94Å; E212-C498 HydrophobicContact CG-CB 3.91Å
499S76.6Confident73.4Confident30 Ų3072.7 Ų72.721%0.2141%0.407CS..SBendtrans-143.3154.4176.262.40000111.7E212 K230 C501E212-S499 WeakPolarHBondContact OE1-CB 3.25Å; E212-S499 PolarHBondContact OE1-OG 3.13Å; E212-S499 PolarHBondContact OE2-OG 2.91Å; K230-S499 VanDerWaalsContact CE-OG 3.25Å; K230-S499 WeakPolarHBondContact CE-OG 3.25Å; S499-C501 PolarHBondContact O-N 2.85Å
500Q66.1Low70.8Confident189 Ų18968.4 Ų68.488%0.88341%0.411SS*.  trans-69.1125.8179.1-67.5-175.70.700110.3
501C62.2Low68.4Low29 Ų2972 Ų7220%0.19643%0.433CS..  trans-113.1147.8178.2-163.50000110.2S499S499-C501 PolarHBondContact O-N 2.85Å
502P61.4Low66Low62 Ų6271.7 Ų71.740%0.40344%0.438SS..PPolyproline II helixtrans-53140.7164.4-24.334.5000110.8
503A59.6Low63.5Low76 Ų7673.5 Ų73.563%0.62846%0.457SS*.PPolyproline II helixtrans-55.7143.8177.400000110.9H232 W505H232-A503 PolarHBondContact ND1-O 3.36Å; A503-W505 PolarHBondContact O-N 3.33Å
504V55.6Low61.3Low13 Ų1376.3 Ų76.38%0.07946%0.462CS..PPolyproline II helixtrans-58130176-174.20000108.3Q234 N488 N506Q234-V504 HydrophobicContact CG-CG2 3.97Å; N488-V504 PolarHBondContact ND2-O 3.4Å; N488-V504 WeakPolarHBondContact OD1-CG2 3.42Å; V504-N506 PolarHBondContact O-N 2.71Å
505W52.9Low58.8Low81 Ų8179.4 Ų79.431%0.30748%0.477SS..  trans-68.2102.1175.1-178-92.7000109.3A503 G507 V511A503-W505 PolarHBondContact O-N 3.33Å; W505-G507 PolarHBondContact O-N 2.73Å; W505-G507 VanDerWaalsContact O-N 3.11Å; W505-V511 HydrophobicContact CH2-CG2 4.29Å; W505-V511 HydrophobicContact CZ3-CG2 4.39Å
506N54.1Low55.9Low98 Ų9888.7 Ų88.752%0.52452%0.517SS..  trans-78.116.4-178.867.7-2.8000113.8V504 S508V504-N506 PolarHBondContact O-N 2.71Å; N506-S508 PolarHBondContact ND2-OG 2.77Å; N506-S508 VanDerWaalsContact ND2-OG 3.09Å; N506-S508 PolarHBondContact O-N 3.19Å; N506-S508 VanDerWaalsContact O-N 3.11Å; N506-S508 WeakPolarHBondContact OD1-CB 3.01Å; N506-S508 PolarHBondContact OD1-N 3.39Å; N506-S508 PolarHBondContact OD1-OG 2.69Å
507G51.2Low53.1Low50 Ų5093 Ų9352%0.51555%0.546SS..SBendtrans74.9-9.7-177.300000115.2W505W505-G507 PolarHBondContact O-N 2.73Å; W505-G507 VanDerWaalsContact O-N 3.11Å
508S47Very low50.9Low65 Ų6599 Ų9946%0.45557%0.568SS.*  trans-93.2115.6179.770.10000111N506 A510N506-S508 PolarHBondContact ND2-OG 2.77Å; N506-S508 VanDerWaalsContact ND2-OG 3.09Å; N506-S508 PolarHBondContact O-N 3.19Å; N506-S508 VanDerWaalsContact O-N 3.11Å; N506-S508 WeakPolarHBondContact OD1-CB 3.01Å; N506-S508 PolarHBondContact OD1-N 3.39Å; N506-S508 PolarHBondContact OD1-OG 2.69Å; S508-A510 PolarHBondContact O-N 3.5Å
509G37.7Very low48.5Very low67 Ų67101.5 Ų101.569%0.69159%0.592SS**  trans-74.345.1-170.600000116.2V511G509-V511 PolarHBondContact O-N 3.27Å
510A37Very low46.9Very low91 Ų91105.4 Ų105.475%0.75261%0.61SS**  trans-94.383.9171.700000110.1S508 S512S508-A510 PolarHBondContact O-N 3.5Å; A510-S512 PolarHBondContact O-N 3.13Å
511V41.3Very low45.9Very low91 Ų91100.6 Ų100.655%0.55259%0.585SS**  trans-77.8120.3171.4-163.50000108W505 G509 A513W505-V511 HydrophobicContact CH2-CG2 4.29Å; W505-V511 HydrophobicContact CZ3-CG2 4.39Å; G509-V511 PolarHBondContact O-N 3.27Å; V511-A513 PolarHBondContact O-N 2.92Å
512S40Very low44.8Very low79 Ų79105.4 Ų105.455%0.55261%0.608SS**  trans-56.3128.3170.2174.30000109.7A510 R514 Q515A510-S512 PolarHBondContact O-N 3.13Å; S512-R514 PolarHBondContact O-N 2.8Å; S512-Q515 PolarHBondContact O-N 3.49Å
513A39.2Very low44Very low110 Ų110109.1 Ų109.191%0.90962%0.62SS**THydrogen-bonded Turntrans-60.4-0.6-176.500000115.2V511V511-A513 PolarHBondContact O-N 2.92Å
514R45.4Very low43.3Very low237 Ų237110.5 Ų110.589%0.89462%0.617SS**THydrogen-bonded Turntrans-96.3-7.9179.2-70.2-174.9-169.3-174.93.6115S512S512-R514 PolarHBondContact O-N 2.8Å
515Q40.1Very low42.8Very low136 Ų136117.7 Ų117.764%0.63664%0.642SS**SBendtrans-98.8110.7174.9-77.3-179.4-19.800110.3S512S512-Q515 PolarHBondContact O-N 3.49Å
516K33.8Very low42.5Very low200 Ų200121 Ų12187%0.8766%0.659SS**PPolyproline II helixtrans-57.2128.9170.2-82-176.6175.4179.80109R518K516-R518 PolarHBondContact O-N 2.67Å
517P35.4Very low42.5Very low119 Ų119121.6 Ų121.677%0.77366%0.662SS**PPolyproline II helixtrans-69.6121.6179.127.1-30.9000109.7
518R42.7Very low43.2Very low212 Ų212120.5 Ų120.580%0.865%0.651SS**PPolyproline II helixtrans-73.8140164.7-87.8-177.2172.1171.2-2108.8K516 N520 Y521K516-R518 PolarHBondContact O-N 2.67Å; R518-N520 PolarHBondContact O-N 3.46Å; R518-Y521 WeakPolarHBondContact O-CD2 3.32Å; R518-Y521 PolarHBondContact O-N 2.75Å
519A39.3Very low45Very low97 Ų97118.2 Ų118.280%0.80264%0.635SS**G310 helixtrans-61.6-14.3-17400000115.4
520N43.7Very low47.6Very low112 Ų112116.1 Ų116.160%0.59961%0.607SS**G310 helixtrans-84.4-3.4-177.3-73.412.3000115.3R518 L522 E523R518-N520 PolarHBondContact O-N 3.46Å; N520-L522 PolarHBondContact O-N 3.11Å; N520-E523 PolarHBondContact O-N 3.49Å
521Y45Very low50.4Low87 Ų87112 Ų11234%0.34157%0.572SS.*G310 helixtrans-58.8-17.4-176.6-103.5-82.9000115.5R518 R525R518-Y521 WeakPolarHBondContact O-CD2 3.32Å; R518-Y521 PolarHBondContact O-N 2.75Å; Y521-R525 WeakPolarHBondContact O-CG 3.41Å
522L39.3Very low53.1Low130 Ų130107.7 Ų107.768%0.68155%0.546SS*.G310 helixtrans-87.3-26.1-178.3-74.5163.2000113.1N520N520-L522 PolarHBondContact O-N 3.11Å
523E43.1Very low55.9Low141 Ų141104 Ų10466%0.65952%0.52SS*.THydrogen-bonded Turntrans-81.5-37.9174.8-77.1-167.4145.500111.9N520 R525 K526N520-E523 PolarHBondContact O-N 3.49Å; E523-R525 PolarHBondContact O-N 2.95Å; E523-K526 PolarHBondContact O-N 3.32Å
524D44.7Very low58.7Low105 Ų10598.7 Ų98.756%0.56148%0.477SS*.THydrogen-bonded Turntrans-59.5-16.4172.4-73.8-19.7000113.1
525R44.8Very low61.2Low164 Ų16487.4 Ų87.462%0.61943%0.434SS*.THydrogen-bonded Turntrans-79.8-17173.8-77.3178.3176.9-173.5-0.3114.1Y521 E523Y521-R525 WeakPolarHBondContact O-CG 3.41Å; E523-R525 PolarHBondContact O-N 2.95Å
526K47.6Very low63.9Low151 Ų15181 Ų8166%0.65740%0.404SS*.THydrogen-bonded Turntrans-78.3-30.4-179.9-82.4-178.6176.1173.80112.3R8 E523R8-K526 PolarHBondContact NH2-O 2.88Å; E523-K526 PolarHBondContact O-N 3.32Å
527N54.4Low66.8Low109 Ų10971.5 Ų71.558%0.58336%0.363SS*.SBendtrans-108105177.1-62.8-9.4000106.8
528G66.2Low69.7Low28 Ų2865.8 Ų65.829%0.28933%0.326SS..  trans-56.2163.4-176.700000112.5
529S85.1Confident72.3Confident17 Ų1755.7 Ų55.712%0.11929%0.288CS..EExtended strand (participates in β ladder)trans-51.2144.8174.8178.30000110.2H232 S556 C557 E558H232-S529 PolarHBondContact O-OG 2.85Å; S529-S556 PolarHBondContact N-O 2.98Å; S529-S556 VanDerWaalsContact N-O 3.15Å; S529-C557 CarbonylContact O-C 3.45Å; S529-C557 WeakPolarHBondContact O-CA 3.37Å; S529-C557 PolarHBondContact O-SG 3.47Å; S529-E558 PolarHBondContact O-N 3.16Å
530K91.1Very high75.2Confident22 Ų2251.5 Ų51.510%0.09625%0.252CS..EExtended strand (participates in β ladder)trans-114.1135.6175.3-68.6-179.9-175-79.80111.1L188 E190 S233 Q234 E558 I560L188-K530 HydrophobicContact CB-CD 4.34Å; L188-K530 HydrophobicContact CD1-CD 4.48Å; E190-K530 HydrophobicContact CG-CB 4.5Å; E190-K530 HydrophobicContact CG-CD 3.8Å; E190-K530 WeakPolarHBondContact OE1-CD 3.46Å; S233-K530 VanDerWaalsContact CA-O 3.26Å; S233-K530 WeakPolarHBondContact CA-O 3.39Å; S233-K530 WeakPolarHBondContact CB-O 3.46Å; Q234-K530 PolarHBondContact N-O 3.22Å; K530-E558 WeakPolarHBondContact CA-O 3.27Å; K530-E558 HydrophobicContact CG-CB 4.47Å; K530-E558 IonicContact NZ-OE2 3.56Å; K530-E558 PolarHBondContact NZ-OE2 3.41Å; K530-I560 HydrophobicContact CD-CD1 4.33Å
531L95.6Very high77.8Confident6 Ų647.1 Ų47.13%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-110.5105.4168177.663.6000108.1Q234 L236 M482 A485 I486 V533 E558 V559 I560Q234-L531 HydrophobicContact CB-CD1 3.98Å; L236-L531 HydrophobicContact CD1-CD1 3.99Å; L236-L531 HydrophobicContact CG-CD1 3.93Å; M482-L531 HydrophobicContact CB-CD2 4.11Å; M482-L531 HydrophobicContact CG-CD2 4.24Å; A485-L531 HydrophobicContact CB-CD1 4.11Å; A485-L531 HydrophobicContact CB-CD2 4.03Å; I486-L531 HydrophobicContact CD1-CD2 4.48Å; I486-L531 HydrophobicContact CG1-CD2 4.16Å; L531-V533 HydrophobicContact CD2-CG2 4.41Å; L531-V533 HydrophobicContact CG-CG2 4.09Å; L531-E558 PolarHBondContact N-O 3.48Å; L531-V559 HydrophobicContact CB-CG2 4.35Å; L531-V559 HydrophobicContact CD2-CG1 4.43Å; L531-V559 HydrophobicContact CD2-CG2 4.25Å; L531-V559 CarbonylContact O-C 3.53Å; L531-V559 WeakPolarHBondContact O-CA 3.31Å; L531-I560 PolarHBondContact O-N 3.18Å
532I98Very high80.3Confident0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-92.1129177.5-50.4173000107.5Y148 L188 P192 Q234 L235 L236 I560Y148-I532 HydrophobicContact CE1-CG2 4.09Å; L188-I532 HydrophobicContact CD1-CD1 3.86Å; L188-I532 HydrophobicContact CD1-CG1 4.27Å; P192-I532 HydrophobicContact CG-CD1 4.4Å; Q234-I532 PolarHBondContact O-N 3Å; L235-I532 CarbonylContact C-O 3.59Å; L235-I532 VanDerWaalsContact CA-O 3.28Å; L235-I532 WeakPolarHBondContact CA-O 3.34Å; L235-I532 HydrophobicContact CB-CB 4.5Å; L235-I532 HydrophobicContact CD1-CB 3.84Å; L235-I532 HydrophobicContact CD1-CG2 3.59Å; L236-I532 PolarHBondContact N-O 3Å; I532-I560 CarbonylContact C-O 3.58Å; I532-I560 WeakPolarHBondContact CA-O 3.5Å
533V98.6Very high83.1Confident0 Ų036.9 Ų36.90%018%0.18CC..EExtended strand (participates in β ladder)trans-122.6126.6-179.6179.10000108.6L236 I238 I478 M482 L531 V535 V559 I560 I561 G562L236-V533 HydrophobicContact CD1-CG2 4.48Å; I238-V533 HydrophobicContact CD1-CG1 4.15Å; I478-V533 HydrophobicContact CD1-CG1 3.87Å; I478-V533 HydrophobicContact CG1-CG1 4.33Å; M482-V533 HydrophobicContact CE-CG2 4.25Å; M482-V533 HydrophobicContact CG-CG2 4.34Å; L531-V533 HydrophobicContact CD2-CG2 4.41Å; L531-V533 HydrophobicContact CG-CG2 4.09Å; V533-V535 HydrophobicContact CG1-CG2 4.42Å; V533-V559 HydrophobicContact CG2-CG1 4.32Å; V533-I560 PolarHBondContact N-O 3.13Å; V533-I561 HydrophobicContact CB-CB 4.4Å; V533-I561 HydrophobicContact CB-CG1 4.18Å; V533-I561 HydrophobicContact CG1-CD1 4.41Å; V533-I561 HydrophobicContact CG1-CG1 4.14Å; V533-I561 CarbonylContact O-C 3.42Å; V533-I561 WeakPolarHBondContact O-CA 3.28Å; V533-G562 PolarHBondContact O-N 3.46Å
534F98.6Very high85.8Confident0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-123.2116.4175.7-171.7-98.4000110.9Y148 L150 M177 I181 L207 L235 L236 I237 I238 I536 G562 S563 T564Y148-F534 AromaticContact CE2-CD2 3.81Å; Y148-F534 HydrophobicContact CE2-CD2 3.81Å; Y148-F534 HydrophobicContact CE2-CE2 4.23Å; Y148-F534 AromaticContact CZ-CD2 3.96Å; Y148-F534 WeakPolarHBondContact OH-CD2 3.28Å; L150-F534 HydrophobicContact CD1-CE2 3.52Å; L150-F534 HydrophobicContact CD1-CZ 3.49Å; L150-F534 VanDerWaalsContact CD1-CZ 3.49Å; L150-F534 HydrophobicContact CD2-CE2 4.48Å; L150-F534 HydrophobicContact CG-CE2 3.76Å; L150-F534 HydrophobicContact CG-CZ 4.17Å; M177-F534 HydrophobicContact CE-CE1 3.42Å; M177-F534 VanDerWaalsContact CE-CE1 3.42Å; M177-F534 HydrophobicContact CE-CZ 3.63Å; I181-F534 HydrophobicContact CD1-CD1 3.65Å; I181-F534 HydrophobicContact CD1-CD2 4.04Å; I181-F534 HydrophobicContact CD1-CE1 3.77Å; I181-F534 HydrophobicContact CD1-CE2 4.14Å; I181-F534 HydrophobicContact CD1-CG 3.79Å; I181-F534 HydrophobicContact CD1-CZ 4Å; I181-F534 HydrophobicContact CG1-CD2 4.11Å; I181-F534 HydrophobicContact CG1-CE2 4.2Å; I181-F534 HydrophobicContact CG1-CG 4.29Å; I181-F534 HydrophobicContact CG1-CZ 4.48Å; L207-F534 HydrophobicContact CD2-CD1 3.95Å; L207-F534 HydrophobicContact CD2-CE1 3.76Å; L235-F534 HydrophobicContact CD1-CB 4.33Å; L236-F534 PolarHBondContact O-N 3.37Å; I237-F534 WeakPolarHBondContact CA-O 3.37Å; I237-F534 HydrophobicContact CG1-CB 4.38Å; I238-F534 PolarHBondContact N-O 3.49Å; F534-I536 HydrophobicContact CD1-CG1 4.32Å; F534-I536 HydrophobicContact CE1-CG1 4.02Å; F534-G562 WeakPolarHBondContact CA-O 3.33Å; F534-S563 VanDerWaalsContact CE2-CA 3.45Å; F534-T564 HydrophobicContact CZ-CG2 4.07Å
535V98.4Very high88.3Confident0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-99.7124.4173.8-173.80000108.6I238 F242 V533 I539 G562 S563I238-V535 CarbonylContact O-C 3.56Å; I238-V535 WeakPolarHBondContact O-CA 3.48Å; F242-V535 HydrophobicContact CD1-CG1 4.46Å; F242-V535 HydrophobicContact CE1-CG1 3.9Å; F242-V535 HydrophobicContact CE1-CG2 4.35Å; V533-V535 HydrophobicContact CG1-CG2 4.42Å; V535-I539 HydrophobicContact CB-CG2 3.68Å; V535-I539 HydrophobicContact CG2-CG2 3.67Å; V535-G562 PolarHBondContact N-O 2.95Å; V535-S563 WeakPolarHBondContact O-CA 3.44Å; V535-S563 VanDerWaalsContact O-CB 3.29Å; V535-S563 WeakPolarHBondContact O-CB 3.48Å; V535-S563 PolarHBondContact O-OG 3.24Å
536I97.3Very high90.9Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-71.9135.4170.4-55.5173.2000107.5C159 Y160 M177 N203 A204 L207 I237 I238 R240 F534C159-I536 HydrophobicContact CB-CG2 4.18Å; Y160-I536 WeakPolarHBondContact OH-CG2 3.5Å; Y160-I536 PolarHBondContact OH-O 3.2Å; Y160-I536 VanDerWaalsContact OH-O 3.08Å; M177-I536 HydrophobicContact CE-CG1 4.26Å; M177-I536 HydrophobicContact CE-CG2 4.28Å; N203-I536 HydrophobicContact CB-CD1 3.94Å; A204-I536 HydrophobicContact CB-CD1 4.41Å; L207-I536 HydrophobicContact CB-CD1 4.32Å; L207-I536 HydrophobicContact CD2-CD1 3.77Å; L207-I536 HydrophobicContact CD2-CG1 3.81Å; I237-I536 HydrophobicContact CG2-CD1 4.24Å; I237-I536 HydrophobicContact CG2-CG1 4.45Å; I238-I536 PolarHBondContact O-N 3.3Å; R240-I536 VanDerWaalsContact CB-O 3.32Å; R240-I536 WeakPolarHBondContact CB-O 3.36Å; R240-I536 PolarHBondContact N-O 2.73Å; F534-I536 HydrophobicContact CD1-CG1 4.32Å; F534-I536 HydrophobicContact CE1-CG1 4.02Å
537G93.6Very high93.3Very high1 Ų111 Ų111%0.016%0.064CC..THydrogen-bonded Turntrans87.516.7172.200000116.3F156F156-G537 WeakPolarHBondContact CD2-O 3.3Å
538G96.8Very high95.3Very high0 Ų07.2 Ų7.20%04%0.042CC..  trans105.6150.717200000114.4R240 S563 H565 L567R240-G538 VanDerWaalsContact CD-O 3.29Å; R240-G538 WeakPolarHBondContact CD-O 3.31Å; R240-G538 PolarHBondContact NH1-O 2.71Å; G538-S563 VanDerWaalsContact C-OG 3.26Å; G538-S563 WeakPolarHBondContact CA-OG 3.35Å; G538-S563 PolarHBondContact N-OG 3.06Å; G538-H565 VanDerWaalsContact CA-O 3.31Å; G538-H565 WeakPolarHBondContact CA-O 3.38Å; G538-L567 VanDerWaalsContact C-CD1 3.47Å
539I98.3Very high96.8Very high0 Ų08.7 Ų8.70%04%0.041CC..EExtended strand (participates in β ladder)trans-118.1146.3171.351.2174.8000110.9V147 V535 E543 M544 I561 H565 I566 L567V147-I539 HydrophobicContact CG1-CD1 3.73Å; V535-I539 HydrophobicContact CB-CG2 3.68Å; V535-I539 HydrophobicContact CG2-CG2 3.67Å; I539-E543 WeakPolarHBondContact CA-OE2 3.28Å; I539-M544 HydrophobicContact CD1-CG 3.91Å; I539-M544 HydrophobicContact CG1-CG 4.47Å; I539-I561 HydrophobicContact CD1-CG1 4.22Å; I539-I561 HydrophobicContact CD1-CG2 4.39Å; I539-I561 HydrophobicContact CG2-CD1 3.94Å; I539-I561 HydrophobicContact CG2-CG1 4.09Å; I539-H565 PolarHBondContact N-O 2.85Å; I539-I566 HydrophobicContact CG1-CG1 4.47Å; I539-L567 PolarHBondContact O-N 3.41Å
540T98.6Very high97.3Very high9 Ų98 Ų86%0.0554%0.036CC..EExtended strand (participates in β ladder)trans-89.9160.5177.174.50000111.3T247 S542 E543 M544 L567T247-T540 HydrophobicContact CG2-CG2 3.78Å; T540-S542 PolarHBondContact O-N 3.41Å; T540-S542 PolarHBondContact OG1-N 2.96Å; T540-S542 PolarHBondContact OG1-OG 3.42Å; T540-E543 PolarHBondContact N-OE2 3.42Å; T540-E543 PolarHBondContact O-N 3.24Å; T540-E543 VanDerWaalsContact O-N 3.16Å; T540-E543 VanDerWaalsContact OG1-CG 3.3Å; T540-E543 WeakPolarHBondContact OG1-CG 3.34Å; T540-E543 PolarHBondContact OG1-N 3.4Å; T540-E543 VanDerWaalsContact OG1-N 3.08Å; T540-M544 WeakPolarHBondContact O-CG 3.46Å; T540-M544 PolarHBondContact O-N 2.86Å; T540-L567 HydrophobicContact CG2-CB 4.35Å; T540-L567 HydrophobicContact CG2-CD1 4.41Å
541Y98.6Very high97.4Very high19 Ų197.7 Ų7.78%0.0754%0.037CC..Hα-helixtrans-62.5-28.3172.6-68.6-75.1000113.6Q255 Y259 M544 R545 I566 T568Q255-Y541 HydrophobicContact CG-CD1 3.56Å; Q255-Y541 HydrophobicContact CG-CE1 4.03Å; Q255-Y541 HydrophobicContact CG-CG 4.18Å; Y259-Y541 VanDerWaalsContact CB-CE2 3.44Å; Y259-Y541 HydrophobicContact CD1-CE1 4.44Å; Y259-Y541 AromaticContact CD1-CE2 3.84Å; Y259-Y541 HydrophobicContact CD1-CE2 3.84Å; Y259-Y541 AromaticContact CD1-CZ 3.53Å; Y259-Y541 WeakPolarHBondContact CD1-OH 2.93Å; Y259-Y541 HydrophobicContact CD2-CE1 4.33Å; Y259-Y541 HydrophobicContact CD2-CE2 4.34Å; Y259-Y541 AromaticContact CE1-CZ 3.87Å; Y259-Y541 WeakPolarHBondContact CE1-OH 3.5Å; Y259-Y541 HydrophobicContact CE2-CE1 4.43Å; Y259-Y541 HydrophobicContact CG-CD2 4.36Å; Y259-Y541 HydrophobicContact CG-CE1 4.3Å; Y259-Y541 AromaticContact CG-CE2 3.63Å; Y259-Y541 HydrophobicContact CG-CE2 3.63Å; Y259-Y541 AromaticContact CG-CZ 3.59Å; Y541-M544 HydrophobicContact CD1-CE 3.9Å; Y541-M544 HydrophobicContact CD1-SD 3.65Å; Y541-M544 HydrophobicContact CE1-CE 4.11Å; Y541-M544 HydrophobicContact CE1-SD 4.06Å; Y541-M544 HydrophobicContact CG-SD 4.33Å; Y541-R545 PolarHBondContact O-N 2.63Å; Y541-R545 VanDerWaalsContact O-N 3.09Å; Y541-I566 HydrophobicContact CD1-CG2 4.32Å; Y541-I566 HydrophobicContact CD2-CG2 4.28Å; Y541-I566 HydrophobicContact CE1-CG2 3.82Å; Y541-I566 HydrophobicContact CE2-CG2 3.75Å; Y541-I566 VanDerWaalsContact CZ-CG2 3.5Å; Y541-T568 HydrophobicContact CE2-CG2 4.04Å
542S98.1Very high97.3Very high3 Ų314.9 Ų14.92%0.0217%0.07CC..Hα-helixtrans-72.2-34.317452.60000112.5E251 T540 R545 C546E251-S542 WeakPolarHBondContact OE1-CB 3.43Å; T540-S542 PolarHBondContact O-N 3.41Å; T540-S542 PolarHBondContact OG1-N 2.96Å; T540-S542 PolarHBondContact OG1-OG 3.42Å; S542-R545 WeakPolarHBondContact O-CB 3.37Å; S542-R545 PolarHBondContact O-N 3.26Å; S542-C546 PolarHBondContact O-N 3.01Å; S542-C546 PolarHBondContact O-SG 3.32Å
543E98.7Very high97Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-70.8-37.4172.2-69.1173.1146.700112R240 F242 P476 I478 I539 T540 R545 C546 A547 I561R240-E543 IonicContact CZ-OE1 3.92Å; R240-E543 IonicContact CZ-OE2 2.79Å; R240-E543 VanDerWaalsContact NH1-CD 3.34Å; R240-E543 IonicContact NH1-OE1 2.67Å; R240-E543 PolarHBondContact NH1-OE1 2.55Å; R240-E543 VanDerWaalsContact NH1-OE1 3.14Å; R240-E543 IonicContact NH1-OE2 3.17Å; R240-E543 PolarHBondContact NH1-OE2 3.28Å; R240-E543 IonicContact NH2-OE1 3.95Å; R240-E543 PolarHBondContact NH2-OE1 3.12Å; R240-E543 IonicContact NH2-OE2 3.94Å; F242-E543 WeakPolarHBondContact CZ-OE1 3.36Å; P476-E543 HydrophobicContact CB-CG 3.99Å; I478-E543 HydrophobicContact CG2-CB 3.95Å; I478-E543 HydrophobicContact CG2-CG 3.81Å; I539-E543 WeakPolarHBondContact CA-OE2 3.28Å; T540-E543 PolarHBondContact N-OE2 3.42Å; T540-E543 PolarHBondContact O-N 3.24Å; T540-E543 VanDerWaalsContact O-N 3.16Å; T540-E543 VanDerWaalsContact OG1-CG 3.3Å; T540-E543 WeakPolarHBondContact OG1-CG 3.34Å; T540-E543 PolarHBondContact OG1-N 3.4Å; T540-E543 VanDerWaalsContact OG1-N 3.08Å; E543-R545 VanDerWaalsContact C-N 3.31Å; E543-R545 PolarHBondContact O-N 2.8Å; E543-C546 WeakPolarHBondContact O-CB 3.38Å; E543-C546 PolarHBondContact O-N 3.26Å; E543-C546 VanDerWaalsContact O-N 3.15Å; E543-A547 PolarHBondContact O-N 3.06Å; E543-I561 HydrophobicContact CB-CD1 4.23Å
544M98.6Very high96.6Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-56.1-47.4171.4-69.916659.300110.5E144 V147 I539 T540 Y541 C546 A547 Y548 I566E144-M544 VanDerWaalsContact CD-CE 3.46Å; E144-M544 HydrophobicContact CG-CE 4.11Å; V147-M544 HydrophobicContact CB-CE 4.19Å; V147-M544 HydrophobicContact CG1-CE 3.95Å; V147-M544 HydrophobicContact CG1-CG 3.98Å; V147-M544 HydrophobicContact CG1-SD 4.19Å; V147-M544 HydrophobicContact CG2-CB 4.04Å; V147-M544 HydrophobicContact CG2-CE 3.87Å; V147-M544 HydrophobicContact CG2-CG 3.89Å; I539-M544 HydrophobicContact CD1-CG 3.91Å; I539-M544 HydrophobicContact CG1-CG 4.47Å; T540-M544 WeakPolarHBondContact O-CG 3.46Å; T540-M544 PolarHBondContact O-N 2.86Å; Y541-M544 HydrophobicContact CD1-CE 3.9Å; Y541-M544 HydrophobicContact CD1-SD 3.65Å; Y541-M544 HydrophobicContact CE1-CE 4.11Å; Y541-M544 HydrophobicContact CE1-SD 4.06Å; Y541-M544 HydrophobicContact CG-SD 4.33Å; M544-C546 VanDerWaalsContact C-N 3.27Å; M544-C546 PolarHBondContact O-N 3.41Å; M544-A547 WeakPolarHBondContact O-CB 3.29Å; M544-A547 PolarHBondContact O-N 3.15Å; M544-A547 VanDerWaalsContact O-N 3.12Å; M544-Y548 VanDerWaalsContact O-CD2 3.25Å; M544-Y548 WeakPolarHBondContact O-CD2 3.46Å; M544-I566 HydrophobicContact CE-CD1 4.37Å; M544-I566 HydrophobicContact SD-CD1 4.2Å; M544-I566 HydrophobicContact SD-CG1 4.43Å; M544-I566 HydrophobicContact SD-CG2 3.92Å
545R98.2Very high95.9Very high18 Ų1830.2 Ų30.27%0.06815%0.152CC..Hα-helixtrans-53.4-42.1175.2-179.8-175.382.4-137.4-2.2112.4E251 T253 H294 Y541 S542 E543 A547 Y548 E549E251-R545 IonicContact OE1-NH1 3.69Å; E251-R545 IonicContact OE1-NH2 2.73Å; E251-R545 IonicContact OE2-NH1 3.34Å; E251-R545 PolarHBondContact OE2-NH1 2.68Å; T253-R545 PolarHBondContact OG1-NH1 3.46Å; H294-R545 HydrophobicContact CB-CG 4Å; Y541-R545 PolarHBondContact O-N 2.63Å; Y541-R545 VanDerWaalsContact O-N 3.09Å; S542-R545 WeakPolarHBondContact O-CB 3.37Å; S542-R545 PolarHBondContact O-N 3.26Å; E543-R545 VanDerWaalsContact C-N 3.31Å; E543-R545 PolarHBondContact O-N 2.8Å; R545-A547 VanDerWaalsContact C-N 3.27Å; R545-A547 PolarHBondContact O-N 3.01Å; R545-Y548 PolarHBondContact O-N 2.93Å; R545-Y548 VanDerWaalsContact O-N 3.12Å; R545-E549 WeakPolarHBondContact CD-OE1 3.33Å; R545-E549 HydrophobicContact CG-CG 4.16Å; R545-E549 VanDerWaalsContact CG-OE1 3.32Å; R545-E549 WeakPolarHBondContact CG-OE1 3.35Å; R545-E549 IonicContact CZ-OE1 3.78Å; R545-E549 IonicContact NE-OE1 3.27Å; R545-E549 PolarHBondContact NE-OE1 3.38Å; R545-E549 PolarHBondContact O-N 3.15Å
546C98.3Very high95.2Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-59.2-36.6-179.7-63.60000112.7I478 K479 M482 S542 E543 M544 Y548 E549 V550I478-C546 HydrophobicContact CG2-CB 4.06Å; K479-C546 HydrophobicContact CB-CB 3.99Å; K479-C546 HydrophobicContact CG-CB 4.31Å; M482-C546 HydrophobicContact SD-CB 4.23Å; S542-C546 PolarHBondContact O-N 3.01Å; S542-C546 PolarHBondContact O-SG 3.32Å; E543-C546 WeakPolarHBondContact O-CB 3.38Å; E543-C546 PolarHBondContact O-N 3.26Å; E543-C546 VanDerWaalsContact O-N 3.15Å; M544-C546 VanDerWaalsContact C-N 3.27Å; M544-C546 PolarHBondContact O-N 3.41Å; C546-Y548 VanDerWaalsContact C-N 3.33Å; C546-Y548 PolarHBondContact O-N 3.09Å; C546-E549 PolarHBondContact O-N 3.12Å; C546-V550 WeakPolarHBondContact O-CB 3.4Å; C546-V550 VanDerWaalsContact O-CG2 3.26Å; C546-V550 WeakPolarHBondContact O-CG2 3.49Å; C546-V550 PolarHBondContact O-N 2.91Å
547A98.1Very high94.7Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-61.1-41.6176.200000112M482 E543 M544 R545 S551 V559 I561M482-A547 HydrophobicContact CE-CB 4.09Å; E543-A547 PolarHBondContact O-N 3.06Å; M544-A547 WeakPolarHBondContact O-CB 3.29Å; M544-A547 PolarHBondContact O-N 3.15Å; M544-A547 VanDerWaalsContact O-N 3.12Å; R545-A547 VanDerWaalsContact C-N 3.27Å; R545-A547 PolarHBondContact O-N 3.01Å; A547-S551 VanDerWaalsContact O-CB 3.28Å; A547-S551 WeakPolarHBondContact O-CB 3.43Å; A547-S551 PolarHBondContact O-N 3.04Å; A547-S551 PolarHBondContact O-OG 3.39Å; A547-V559 HydrophobicContact CB-CB 4.22Å; A547-V559 HydrophobicContact CB-CG1 3.91Å; A547-I561 HydrophobicContact CB-CB 4.18Å; A547-I561 HydrophobicContact CB-CG2 3.67Å
548Y97.3Very high94.7Very high29 Ų2935 Ų3511%0.11418%0.181CC..Hα-helixtrans-68.2-46.2175.7-66.9-87000112.3E144 S145 Q146 V147 R293 H294 M544 R545 C546 V550 S551 Q552E144-Y548 WeakPolarHBondContact CB-OH 3.26Å; E144-Y548 VanDerWaalsContact OE2-CE2 3.26Å; E144-Y548 WeakPolarHBondContact OE2-CE2 3.42Å; E144-Y548 PolarHBondContact OE2-OH 3.35Å; S145-Y548 PolarHBondContact OG-OH 2.99Å; Q146-Y548 HydrophobicContact CB-CD1 4.46Å; Q146-Y548 HydrophobicContact CB-CE1 3.89Å; Q146-Y548 HydrophobicContact CB-CE2 4.35Å; Q146-Y548 HydrophobicContact CG-CD1 4.19Å; Q146-Y548 HydrophobicContact CG-CE1 3.76Å; Q146-Y548 PolarHBondContact N-OH 3.01Å; V147-Y548 HydrophobicContact CG2-CE2 4.03Å; R293-Y548 PolarHBondContact NH2-OH 3.43Å; H294-Y548 AromaticContact CD2-CD2 3.79Å; H294-Y548 AromaticContact CD2-CG 3.86Å; H294-Y548 AromaticContact CE1-CD2 3.76Å; H294-Y548 AromaticContact CE1-CE2 3.87Å; H294-Y548 AromaticContact NE2-CD2 3.14Å; H294-Y548 WeakPolarHBondContact NE2-CD2 3.28Å; H294-Y548 AromaticContact NE2-CE2 3.29Å; H294-Y548 VanDerWaalsContact NE2-CE2 3.29Å; H294-Y548 WeakPolarHBondContact NE2-CE2 3.35Å; H294-Y548 AromaticContact NE2-CG 3.64Å; H294-Y548 AromaticContact NE2-CZ 3.9Å; M544-Y548 VanDerWaalsContact O-CD2 3.25Å; M544-Y548 WeakPolarHBondContact O-CD2 3.46Å; R545-Y548 PolarHBondContact O-N 2.93Å; R545-Y548 VanDerWaalsContact O-N 3.12Å; C546-Y548 VanDerWaalsContact C-N 3.33Å; C546-Y548 PolarHBondContact O-N 3.09Å; Y548-V550 PolarHBondContact O-N 3.03Å; Y548-S551 PolarHBondContact O-N 3.19Å; Y548-Q552 VanDerWaalsContact O-CB 3.27Å; Y548-Q552 WeakPolarHBondContact O-CB 3.42Å; Y548-Q552 PolarHBondContact O-N 3.26Å
549E96.2Very high94.7Very high59 Ų5935 Ų3528%0.27618%0.181SC..Hα-helixtrans-58.6-47.3178.7-72.8178-171.200111.5K479 R545 C546 Q552 A553K479-E549 WeakPolarHBondContact CE-OE2 3.48Å; K479-E549 IonicContact NZ-OE2 3.78Å; K479-E549 PolarHBondContact NZ-OE2 3.1Å; R545-E549 WeakPolarHBondContact CD-OE1 3.33Å; R545-E549 HydrophobicContact CG-CG 4.16Å; R545-E549 VanDerWaalsContact CG-OE1 3.32Å; R545-E549 WeakPolarHBondContact CG-OE1 3.35Å; R545-E549 IonicContact CZ-OE1 3.78Å; R545-E549 IonicContact NE-OE1 3.27Å; R545-E549 PolarHBondContact NE-OE1 3.38Å; R545-E549 PolarHBondContact O-N 3.15Å; C546-E549 PolarHBondContact O-N 3.12Å; E549-Q552 PolarHBondContact O-N 2.97Å; E549-A553 WeakPolarHBondContact O-CB 3.36Å; E549-A553 PolarHBondContact O-N 3.16Å
550V96.1Very high94.6Very high1 Ų135.1 Ų35.11%0.00618%0.182CC..Hα-helixtrans-67.7-43-179.7175.60000110.9K479 M482 E483 I486 C546 Y548 Q552 A553 H554 V559K479-V550 HydrophobicContact CG-CG2 3.78Å; M482-V550 HydrophobicContact CB-CG1 4.18Å; M482-V550 HydrophobicContact CB-CG2 4.18Å; M482-V550 HydrophobicContact SD-CG2 4.33Å; E483-V550 HydrophobicContact CG-CG1 4.45Å; E483-V550 HydrophobicContact CG-CG2 4.12Å; I486-V550 HydrophobicContact CD1-CG1 3.44Å; I486-V550 VanDerWaalsContact CD1-CG1 3.44Å; C546-V550 WeakPolarHBondContact O-CB 3.4Å; C546-V550 VanDerWaalsContact O-CG2 3.26Å; C546-V550 WeakPolarHBondContact O-CG2 3.49Å; C546-V550 PolarHBondContact O-N 2.91Å; Y548-V550 PolarHBondContact O-N 3.03Å; V550-Q552 VanDerWaalsContact C-N 3.29Å; V550-Q552 PolarHBondContact O-N 2.87Å; V550-A553 PolarHBondContact O-N 3.14Å; V550-H554 WeakPolarHBondContact O-CB 3.41Å; V550-H554 PolarHBondContact O-CD2 3.41Å; V550-H554 PolarHBondContact O-N 3Å; V550-V559 HydrophobicContact CB-CG2 4.16Å; V550-V559 HydrophobicContact CG1-CG2 3.77Å
551S94.4Very high94.6Very high17 Ų1734.7 Ų34.712%0.11918%0.179CC..Hα-helixtrans-62.2-37.3176.1-59.60000112.2Q146 A547 Y548 H554 V559Q146-S551 PolarHBondContact NE2-OG 3.4Å; A547-S551 VanDerWaalsContact O-CB 3.28Å; A547-S551 WeakPolarHBondContact O-CB 3.43Å; A547-S551 PolarHBondContact O-N 3.04Å; A547-S551 PolarHBondContact O-OG 3.39Å; Y548-S551 PolarHBondContact O-N 3.19Å; S551-H554 CarbonylContact O-C 3.53Å; S551-V559 WeakPolarHBondContact OG-CB 3.31Å; S551-V559 PolarHBondContact OG-N 3.44Å
552Q92.9Very high94.6Very high156 Ų15633.8 Ų33.873%0.72918%0.175SC*.Hα-helixtrans-70-38.1177.8-173.6174.34.900111.9Y548 E549 V550Y548-Q552 VanDerWaalsContact O-CB 3.27Å; Y548-Q552 WeakPolarHBondContact O-CB 3.42Å; Y548-Q552 PolarHBondContact O-N 3.26Å; E549-Q552 PolarHBondContact O-N 2.97Å; V550-Q552 VanDerWaalsContact C-N 3.29Å; V550-Q552 PolarHBondContact O-N 2.87Å
553A92.2Very high94.7Very high76 Ų7633.7 Ų33.763%0.62817%0.174SC*.Hα-helixtrans-71-41.3175.700000112.2E549 V550E549-A553 WeakPolarHBondContact O-CB 3.36Å; E549-A553 PolarHBondContact O-N 3.16Å; V550-A553 PolarHBondContact O-N 3.14Å
554H88.7Confident94.5Very high48 Ų4833.7 Ų33.722%0.22217%0.174CC..  trans-108.676.1-176.5-65.2-95.9000111.9I486 V550 S551 S556 C557I486-H554 HydrophobicContact CD1-CB 4.23Å; I486-H554 HydrophobicContact CG2-CB 4.48Å; V550-H554 WeakPolarHBondContact O-CB 3.41Å; V550-H554 PolarHBondContact O-CD2 3.41Å; V550-H554 PolarHBondContact O-N 3Å; S551-H554 CarbonylContact O-C 3.53Å; H554-S556 PolarHBondContact O-N 3.4Å; H554-C557 PolarHBondContact O-N 2.94Å
555K83.8Confident94.4Very high198 Ų19834.6 Ų34.686%0.86118%0.179SC*.THydrogen-bonded Turntrans-57.1-15.4-177.4-62.8-176.8-179.2176.50115.9
556S83.7Confident94.4Very high58 Ų5834.9 Ų34.941%0.40618%0.181SC..THydrogen-bonded Turntrans-81.8-16.4176.554.20000113.9S529 H554S529-S556 PolarHBondContact N-O 2.98Å; S529-S556 VanDerWaalsContact N-O 3.15Å; H554-S556 PolarHBondContact O-N 3.4Å
557C87.4Confident94.3Very high7 Ų735.1 Ų35.15%0.04718%0.182CC..EExtended strand (participates in β ladder)trans-133.2127.5-177.5-168.40000111.2I486 S529 H554I486-C557 HydrophobicContact CD1-CB 4.14Å; I486-C557 HydrophobicContact CG1-CB 4.18Å; I486-C557 HydrophobicContact CG2-CB 4.42Å; S529-C557 CarbonylContact O-C 3.45Å; S529-C557 WeakPolarHBondContact O-CA 3.37Å; S529-C557 PolarHBondContact O-SG 3.47Å; H554-C557 PolarHBondContact O-N 2.94Å
558E93.1Very high94.2Very high38 Ų3835.8 Ų35.818%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-96.2121.7173.6-173.1179.3-161.400109.8S529 K530 L531 I560S529-E558 PolarHBondContact O-N 3.16Å; K530-E558 WeakPolarHBondContact CA-O 3.27Å; K530-E558 HydrophobicContact CG-CB 4.47Å; K530-E558 IonicContact NZ-OE2 3.56Å; K530-E558 PolarHBondContact NZ-OE2 3.41Å; L531-E558 PolarHBondContact N-O 3.48Å; E558-I560 HydrophobicContact CG-CG1 4.39Å
559V96.8Very high94.2Very high0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-90.6128.6175.7-172.50000109.4Q146 M482 I486 L531 V533 A547 V550 S551Q146-V559 PolarHBondContact NE2-O 3.44Å; Q146-V559 VanDerWaalsContact NE2-O 3.16Å; M482-V559 HydrophobicContact CE-CG1 3.77Å; M482-V559 HydrophobicContact CG-CG1 4.08Å; M482-V559 HydrophobicContact SD-CG1 3.91Å; I486-V559 HydrophobicContact CD1-CG2 4.17Å; L531-V559 HydrophobicContact CB-CG2 4.35Å; L531-V559 HydrophobicContact CD2-CG1 4.43Å; L531-V559 HydrophobicContact CD2-CG2 4.25Å; L531-V559 CarbonylContact O-C 3.53Å; L531-V559 WeakPolarHBondContact O-CA 3.31Å; V533-V559 HydrophobicContact CG2-CG1 4.32Å; A547-V559 HydrophobicContact CB-CB 4.22Å; A547-V559 HydrophobicContact CB-CG1 3.91Å; V550-V559 HydrophobicContact CB-CG2 4.16Å; V550-V559 HydrophobicContact CG1-CG2 3.77Å; S551-V559 WeakPolarHBondContact OG-CB 3.31Å; S551-V559 PolarHBondContact OG-N 3.44Å
560I98.1Very high94.2Very high2 Ų236.5 Ų36.51%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-123.2116.3175.7-61.3174.4000107.5Q146 Y148 L188 K530 L531 I532 V533 E558Q146-I560 WeakPolarHBondContact O-CA 3.48Å; Y148-I560 HydrophobicContact CD1-CG2 3.64Å; Y148-I560 HydrophobicContact CE1-CG2 3.91Å; L188-I560 HydrophobicContact CD1-CD1 3.62Å; L188-I560 HydrophobicContact CD2-CD1 3.73Å; L188-I560 HydrophobicContact CG-CD1 4.34Å; K530-I560 HydrophobicContact CD-CD1 4.33Å; L531-I560 PolarHBondContact O-N 3.18Å; I532-I560 CarbonylContact C-O 3.58Å; I532-I560 WeakPolarHBondContact CA-O 3.5Å; V533-I560 PolarHBondContact N-O 3.13Å; E558-I560 HydrophobicContact CG-CG1 4.39Å
561I98.6Very high94.2Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-107.4143.4-177.7-171.6170.9000110.9Q146 V147 Y148 I478 M482 V533 I539 E543 A547Q146-I561 PolarHBondContact O-N 2.94Å; V147-I561 VanDerWaalsContact CA-O 3.25Å; V147-I561 WeakPolarHBondContact CA-O 3.43Å; V147-I561 HydrophobicContact CG2-CG2 3.97Å; Y148-I561 WeakPolarHBondContact CD1-O 3.42Å; Y148-I561 PolarHBondContact N-O 2.8Å; I478-I561 HydrophobicContact CG1-CD1 4.43Å; M482-I561 HydrophobicContact CE-CB 4.33Å; M482-I561 HydrophobicContact CE-CD1 3.84Å; M482-I561 HydrophobicContact CE-CG1 4.46Å; V533-I561 HydrophobicContact CB-CB 4.4Å; V533-I561 HydrophobicContact CB-CG1 4.18Å; V533-I561 HydrophobicContact CG1-CD1 4.41Å; V533-I561 HydrophobicContact CG1-CG1 4.14Å; V533-I561 CarbonylContact O-C 3.42Å; V533-I561 WeakPolarHBondContact O-CA 3.28Å; I539-I561 HydrophobicContact CD1-CG1 4.22Å; I539-I561 HydrophobicContact CD1-CG2 4.39Å; I539-I561 HydrophobicContact CG2-CD1 3.94Å; I539-I561 HydrophobicContact CG2-CG1 4.09Å; E543-I561 HydrophobicContact CB-CD1 4.23Å; A547-I561 HydrophobicContact CB-CB 4.18Å; A547-I561 HydrophobicContact CB-CG2 3.67Å
562G98.4Very high94.3Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-155.9174.117400000114.1Y148 V533 F534 V535Y148-G562 WeakPolarHBondContact O-CA 3.25Å; V533-G562 PolarHBondContact O-N 3.46Å; F534-G562 WeakPolarHBondContact CA-O 3.33Å; V535-G562 PolarHBondContact N-O 2.95Å
563S98.5Very high94.5Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-160.2-172.6-178.3-164.60000111.5Y148 T149 L150 F534 V535 G538Y148-S563 PolarHBondContact O-N 2.98Å; T149-S563 WeakPolarHBondContact CA-O 3.39Å; L150-S563 PolarHBondContact N-O 3.4Å; F534-S563 VanDerWaalsContact CE2-CA 3.45Å; V535-S563 WeakPolarHBondContact O-CA 3.44Å; V535-S563 VanDerWaalsContact O-CB 3.29Å; V535-S563 WeakPolarHBondContact O-CB 3.48Å; V535-S563 PolarHBondContact O-OG 3.24Å; G538-S563 VanDerWaalsContact C-OG 3.26Å; G538-S563 WeakPolarHBondContact CA-OG 3.35Å; G538-S563 PolarHBondContact N-OG 3.06Å
564T95.8Very high94.6Very high0 Ų033.7 Ų33.70%016%0.164CC..SBendtrans-72.7-30.6172.557.80000113T149 D151 V152 A155 M177 F534T149-T564 PolarHBondContact OG1-O 3.48Å; D151-T564 PolarHBondContact N-O 2.88Å; V152-T564 PolarHBondContact N-O 3.4Å; V152-T564 WeakPolarHBondContact O-CB 3.21Å; A155-T564 HydrophobicContact CB-CG2 3.68Å; M177-T564 HydrophobicContact CE-CG2 3.6Å; M177-T564 HydrophobicContact CG-CG2 4.33Å; M177-T564 HydrophobicContact SD-CG2 3.9Å; F534-T564 HydrophobicContact CZ-CG2 4.07Å
565H96.6Very high95Very high20 Ų2034.2 Ų34.29%0.09317%0.168CC..SBendtrans-162.9173.7177.561.7-71.1000110.4G538 I539 L567 D575G538-H565 VanDerWaalsContact CA-O 3.31Å; G538-H565 WeakPolarHBondContact CA-O 3.38Å; I539-H565 PolarHBondContact N-O 2.85Å; H565-L567 WeakPolarHBondContact NE2-CD2 3.45Å; H565-D575 IonicContact NE2-OD2 3.65Å
566I97.3Very high95.6Very high24 Ų2424.8 Ų24.812%0.12313%0.127CC..EExtended strand (participates in β ladder)trans-103133.9178-59171.3000109.3H143 I539 Y541 M544H143-I566 HydrophobicContact CB-CD1 4.3Å; H143-I566 WeakPolarHBondContact CD2-CD1 3.45Å; H143-I566 WeakPolarHBondContact NE2-CD1 3.1Å; I539-I566 HydrophobicContact CG1-CG1 4.47Å; Y541-I566 HydrophobicContact CD1-CG2 4.32Å; Y541-I566 HydrophobicContact CD2-CG2 4.28Å; Y541-I566 HydrophobicContact CE1-CG2 3.82Å; Y541-I566 HydrophobicContact CE2-CG2 3.75Å; Y541-I566 VanDerWaalsContact CZ-CG2 3.5Å; M544-I566 HydrophobicContact CE-CD1 4.37Å; M544-I566 HydrophobicContact SD-CD1 4.2Å; M544-I566 HydrophobicContact SD-CG1 4.43Å; M544-I566 HydrophobicContact SD-CG2 3.92Å
567L96.2Very high96.1Very high4 Ų424 Ų242%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-92.2137.1-174.6-63.8174.3000111.8T247 G538 I539 T540 H565 L572T247-L567 HydrophobicContact CG2-CD1 4.39Å; G538-L567 VanDerWaalsContact C-CD1 3.47Å; I539-L567 PolarHBondContact O-N 3.41Å; T540-L567 HydrophobicContact CG2-CB 4.35Å; T540-L567 HydrophobicContact CG2-CD1 4.41Å; H565-L567 WeakPolarHBondContact NE2-CD2 3.45Å; L567-L572 HydrophobicContact CD1-CD1 4.36Å; L567-L572 HydrophobicContact CD1-CD2 4.45Å; L567-L572 HydrophobicContact CD2-CB 4.17Å; L567-L572 HydrophobicContact CD2-CD1 4.04Å
568T97.1Very high96.4Very high14 Ų1425.9 Ų25.99%0.08613%0.125CC..  trans-114.5148153.758.50000107.4Y259 Y541 K570 K571 L572Y259-T568 WeakPolarHBondContact O-CG2 3.46Å; Y541-T568 HydrophobicContact CE2-CG2 4.04Å; T568-K570 PolarHBondContact O-N 3.48Å; T568-K570 VanDerWaalsContact O-N 3.1Å; T568-K571 PolarHBondContact O-N 3.5Å; T568-K571 VanDerWaalsContact O-N 3.14Å; T568-K571 WeakPolarHBondContact OG1-CB 3.29Å; T568-K571 WeakPolarHBondContact OG1-CD 3.48Å; T568-K571 VanDerWaalsContact OG1-CG 3.24Å; T568-K571 WeakPolarHBondContact OG1-CG 3.39Å; T568-K571 PolarHBondContact OG1-N 2.99Å; T568-L572 PolarHBondContact O-N 3.44Å
569P97.2Very high96.4Very high14 Ų1424 Ų249%0.09112%0.117CC..Hα-helixtrans-50.1-41.4-178.1-3036.4000113.6L572 L573P569-L572 PolarHBondContact O-N 3.47Å; P569-L573 WeakPolarHBondContact O-CG 3.47Å; P569-L573 PolarHBondContact O-N 3.18Å; P569-L573 VanDerWaalsContact O-N 3.08Å
570K95.8Very high96.2Very high89 Ų8926.9 Ų26.939%0.38713%0.132SC..Hα-helixtrans-61.6-56.2177.7-66.5-179179.7177.50112.9T568 L572 L573 D574T568-K570 PolarHBondContact O-N 3.48Å; T568-K570 VanDerWaalsContact O-N 3.1Å; K570-L572 VanDerWaalsContact C-N 3.25Å; K570-L572 PolarHBondContact O-N 2.95Å; K570-L573 PolarHBondContact O-N 2.95Å; K570-L573 VanDerWaalsContact O-N 3.1Å; K570-D574 PolarHBondContact O-N 3.06Å
571K95.1Very high95.9Very high105 Ų10529.8 Ų29.846%0.45715%0.145SC..Hα-helixtrans-54.6-41.1177.1-70178-178.3178.10112.3T568 D574 D575T568-K571 PolarHBondContact O-N 3.5Å; T568-K571 VanDerWaalsContact O-N 3.14Å; T568-K571 WeakPolarHBondContact OG1-CB 3.29Å; T568-K571 WeakPolarHBondContact OG1-CD 3.48Å; T568-K571 VanDerWaalsContact OG1-CG 3.24Å; T568-K571 WeakPolarHBondContact OG1-CG 3.39Å; T568-K571 PolarHBondContact OG1-N 2.99Å; K571-D574 PolarHBondContact O-N 3.24Å; K571-D575 PolarHBondContact O-N 3.34Å
572L97.1Very high95.1Very high1 Ų132.6 Ų32.61%0.00516%0.163CC..Hα-helixtrans-62.3-46.9177.3178.361.9000112.1F156 T247 W442 L567 T568 P569 K570 D574 D575 I576F156-L572 HydrophobicContact CE2-CD1 3.82Å; F156-L572 HydrophobicContact CZ-CD1 3.89Å; T247-L572 HydrophobicContact CG2-CD2 4.09Å; T247-L572 VanDerWaalsContact OG1-CD2 3.27Å; T247-L572 WeakPolarHBondContact OG1-CD2 3.25Å; W442-L572 HydrophobicContact CH2-CD2 3.79Å; W442-L572 HydrophobicContact CZ2-CD2 4.12Å; L567-L572 HydrophobicContact CD1-CD1 4.36Å; L567-L572 HydrophobicContact CD1-CD2 4.45Å; L567-L572 HydrophobicContact CD2-CB 4.17Å; L567-L572 HydrophobicContact CD2-CD1 4.04Å; T568-L572 PolarHBondContact O-N 3.44Å; P569-L572 PolarHBondContact O-N 3.47Å; K570-L572 VanDerWaalsContact C-N 3.25Å; K570-L572 PolarHBondContact O-N 2.95Å; L572-D574 VanDerWaalsContact C-N 3.3Å; L572-D574 PolarHBondContact O-N 3.13Å; L572-D575 PolarHBondContact O-N 3.29Å; L572-I576 HydrophobicContact CD1-CD1 3.83Å; L572-I576 HydrophobicContact CD1-CG1 4.07Å; L572-I576 HydrophobicContact CD2-CD1 4.45Å; L572-I576 HydrophobicContact CG-CD1 3.84Å; L572-I576 HydrophobicContact CG-CG1 4.39Å; L572-I576 WeakPolarHBondContact O-CB 3.25Å; L572-I576 VanDerWaalsContact O-CG1 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.41Å; L572-I576 PolarHBondContact O-N 3.29Å
573L97.3Very high93.8Very high1 Ų134.8 Ų34.81%0.00517%0.172CC..Hα-helixtrans-64.6-37.4179.2-68.2177.1000111.5I405 R406 L409 M438 W442 P569 K570 I576 K577I405-L573 HydrophobicContact CG2-CD1 4.08Å; I405-L573 HydrophobicContact CG2-CD2 4.15Å; R406-L573 HydrophobicContact CG-CD1 4.1Å; L409-L573 HydrophobicContact CD1-CD2 3.65Å; M438-L573 HydrophobicContact CB-CD2 4.36Å; M438-L573 HydrophobicContact CE-CB 4.3Å; M438-L573 HydrophobicContact CG-CB 4.28Å; M438-L573 HydrophobicContact SD-CB 3.98Å; W442-L573 HydrophobicContact CZ2-CD2 4.34Å; P569-L573 WeakPolarHBondContact O-CG 3.47Å; P569-L573 PolarHBondContact O-N 3.18Å; P569-L573 VanDerWaalsContact O-N 3.08Å; K570-L573 PolarHBondContact O-N 2.95Å; K570-L573 VanDerWaalsContact O-N 3.1Å; L573-I576 PolarHBondContact O-N 3.01Å; L573-K577 VanDerWaalsContact O-CB 3.3Å; L573-K577 WeakPolarHBondContact O-CB 3.24Å; L573-K577 PolarHBondContact O-N 2.9Å
574D95.1Very high92Very high85 Ų8541.2 Ų41.246%0.45521%0.206SC..Hα-helixtrans-62.5-45.5173.7-69.4-32000111.6K570 K571 L572 K577 M578K570-D574 PolarHBondContact O-N 3.06Å; K571-D574 PolarHBondContact O-N 3.24Å; L572-D574 VanDerWaalsContact C-N 3.3Å; L572-D574 PolarHBondContact O-N 3.13Å; D574-K577 WeakPolarHBondContact O-CB 3.22Å; D574-K577 PolarHBondContact O-N 3.19Å; D574-M578 WeakPolarHBondContact O-CG 3.44Å; D574-M578 PolarHBondContact O-N 3.25Å
575D95.3Very high89.7Confident58 Ų5848.1 Ų48.131%0.3124%0.237SC..Hα-helixtrans-65.8-41.8177.4-72.8-25.3000112F156 H565 K571 L572 K577 M578F156-D575 HydrophobicContact CD1-CB 3.7Å; F156-D575 HydrophobicContact CE1-CB 3.88Å; F156-D575 HydrophobicContact CG-CB 4.35Å; H565-D575 IonicContact NE2-OD2 3.65Å; K571-D575 PolarHBondContact O-N 3.34Å; L572-D575 PolarHBondContact O-N 3.29Å; D575-K577 PolarHBondContact O-N 3.31Å; D575-M578 PolarHBondContact O-N 3.19Å
576I96.6Very high87.5Confident0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-61.9-42.9176.2-75.1178.3000111.3F156 N441 W442 L445 L572 L573 M578 L579F156-I576 HydrophobicContact CE1-CG1 3.87Å; F156-I576 HydrophobicContact CZ-CD1 4.35Å; F156-I576 HydrophobicContact CZ-CG1 3.55Å; N441-I576 HydrophobicContact CB-CG2 3.7Å; N441-I576 VanDerWaalsContact CB-O 3.25Å; N441-I576 WeakPolarHBondContact CB-O 3.37Å; N441-I576 PolarHBondContact ND2-O 2.92Å; W442-I576 HydrophobicContact CD2-CD1 3.68Å; W442-I576 HydrophobicContact CE3-CD1 4.17Å; W442-I576 HydrophobicContact CG-CD1 4.19Å; W442-I576 HydrophobicContact CH2-CD1 3.9Å; W442-I576 HydrophobicContact CZ2-CD1 3.4Å; W442-I576 VanDerWaalsContact CZ2-CD1 3.4Å; W442-I576 HydrophobicContact CZ3-CD1 4.26Å; L445-I576 HydrophobicContact CD2-CD1 4.37Å; L572-I576 HydrophobicContact CD1-CD1 3.83Å; L572-I576 HydrophobicContact CD1-CG1 4.07Å; L572-I576 HydrophobicContact CD2-CD1 4.45Å; L572-I576 HydrophobicContact CG-CD1 3.84Å; L572-I576 HydrophobicContact CG-CG1 4.39Å; L572-I576 WeakPolarHBondContact O-CB 3.25Å; L572-I576 VanDerWaalsContact O-CG1 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.41Å; L572-I576 PolarHBondContact O-N 3.29Å; L573-I576 PolarHBondContact O-N 3.01Å; I576-M578 PolarHBondContact O-N 2.71Å; I576-M578 VanDerWaalsContact O-N 3.11Å; I576-L579 PolarHBondContact O-N 2.88Å
577K95.5Very high84.6Confident42 Ų4250.8 Ų50.818%0.18326%0.257CS..Hα-helixtrans-57.5-26177.5-179.8174.9179.5177.50112.8D437 M438 L573 D574 D575 K581D437-K577 HydrophobicContact CB-CG 4.18Å; M438-K577 HydrophobicContact CE-CD 3.71Å; M438-K577 HydrophobicContact CG-CB 3.81Å; M438-K577 HydrophobicContact CG-CD 4.08Å; M438-K577 HydrophobicContact CG-CG 4.25Å; L573-K577 VanDerWaalsContact O-CB 3.3Å; L573-K577 WeakPolarHBondContact O-CB 3.24Å; L573-K577 PolarHBondContact O-N 2.9Å; D574-K577 WeakPolarHBondContact O-CB 3.22Å; D574-K577 PolarHBondContact O-N 3.19Å; D575-K577 PolarHBondContact O-N 3.31Å; K577-K581 WeakPolarHBondContact O-CE 3.45Å
578M93.1Very high81.4Confident46 Ų4658.3 Ų58.323%0.22729%0.29CS..Hα-helixtrans-92.1-10.3-176-63-56.5-154.600114.1Y157 D574 D575 I576 N580 K581 L586Y157-M578 WeakPolarHBondContact CE2-O 3.41Å; D574-M578 WeakPolarHBondContact O-CG 3.44Å; D574-M578 PolarHBondContact O-N 3.25Å; D575-M578 PolarHBondContact O-N 3.19Å; I576-M578 PolarHBondContact O-N 2.71Å; I576-M578 VanDerWaalsContact O-N 3.11Å; M578-N580 VanDerWaalsContact C-N 3.35Å; M578-N580 PolarHBondContact O-N 2.97Å; M578-K581 PolarHBondContact O-N 3.18Å; M578-K581 HydrophobicContact SD-CD 3.82Å; M578-L586 HydrophobicContact CB-CD2 4.16Å; M578-L586 HydrophobicContact CE-CD2 3.65Å; M578-L586 HydrophobicContact CG-CD2 3.83Å; M578-L586 HydrophobicContact SD-CD2 3.7Å
579L93.9Very high78.4Confident0 Ų062.7 Ų62.70%031%0.312CS..THydrogen-bonded Turntrans-57.7-41-172.3-71179.3000114.5F156 Y157 S161 P162 N441 Y444 L445 I576 K581F156-L579 HydrophobicContact CD1-CD2 3.88Å; F156-L579 HydrophobicContact CE1-CD1 3.92Å; F156-L579 HydrophobicContact CE1-CD2 3.76Å; F156-L579 HydrophobicContact CE1-CG 4Å; F156-L579 HydrophobicContact CZ-CD1 4.44Å; Y157-L579 HydrophobicContact CD2-CD2 4.47Å; S161-L579 WeakPolarHBondContact CB-O 3.32Å; S161-L579 PolarHBondContact OG-O 2.86Å; P162-L579 WeakPolarHBondContact CD-O 3.42Å; N441-L579 HydrophobicContact CB-CB 4.33Å; N441-L579 HydrophobicContact CB-CD1 4.33Å; Y444-L579 HydrophobicContact CD2-CB 4.11Å; Y444-L579 HydrophobicContact CD2-CD1 4.35Å; L445-L579 HydrophobicContact CD1-CD1 3.66Å; I576-L579 PolarHBondContact O-N 2.88Å; L579-K581 VanDerWaalsContact C-N 3.28Å; L579-K581 PolarHBondContact O-N 3.32Å
580N92.6Very high75.2Confident60 Ų6070.4 Ų70.432%0.32134%0.344SS..THydrogen-bonded Turntrans-84.33.8179.763.9-8.7000113.9D437 N441 Y444 M578D437-N580 PolarHBondContact OD1-ND2 3.03Å; N441-N580 PolarHBondContact ND2-OD1 3.46Å; N441-N580 PolarHBondContact OD1-ND2 3.14Å; Y444-N580 HydrophobicContact CE2-CB 4.12Å; M578-N580 VanDerWaalsContact C-N 3.35Å; M578-N580 PolarHBondContact O-N 2.97Å
581K89.9Confident71.8Confident63 Ų6373.1 Ų73.127%0.27436%0.363SS..SBendtrans-104.1137.6-178.2-59.2179.7-171.8168.80110.2Y157 D437 K577 M578 L579Y157-K581 VanDerWaalsContact CE2-O 3.28Å; Y157-K581 WeakPolarHBondContact CE2-O 3.37Å; Y157-K581 PolarHBondContact OH-O 3.06Å; D437-K581 IonicContact OD2-NZ 2.75Å; K577-K581 WeakPolarHBondContact O-CE 3.45Å; M578-K581 PolarHBondContact O-N 3.18Å; M578-K581 HydrophobicContact SD-CD 3.82Å; L579-K581 VanDerWaalsContact C-N 3.28Å; L579-K581 PolarHBondContact O-N 3.32Å
582P82.1Confident68.5Low59 Ų5979.8 Ų79.838%0.38340%0.395SS..  trans-68.6140.417827.5-33.3000111D584 K585P582-D584 VanDerWaalsContact C-N 3.27Å; P582-D584 PolarHBondContact O-N 3.3Å; P582-K585 HydrophobicContact CG-CD 4.28Å; P582-K585 HydrophobicContact CG-CG 4.42Å; P582-K585 PolarHBondContact O-N 3.38Å
583K70.9Confident67.1Low46 Ų4683.7 Ų83.720%0.242%0.415CS..G310 helixtrans-60.8-27.4-177.7-107.2-175.8169.5-162.70115.4D154 Y157 Y158 K585 L586D154-K583 VanDerWaalsContact CG-NZ 3.25Å; D154-K583 IonicContact OD1-NZ 3.56Å; D154-K583 IonicContact OD2-NZ 3.83Å; D154-K583 PolarHBondContact OD2-NZ 3.32Å; Y157-K583 HydrophobicContact CD1-CD 3.7Å; Y157-K583 HydrophobicContact CD1-CG 4.03Å; Y157-K583 HydrophobicContact CE1-CB 4.31Å; Y157-K583 HydrophobicContact CE1-CD 3.65Å; Y157-K583 HydrophobicContact CE1-CG 3.64Å; Y157-K583 HydrophobicContact CE2-CG 4.37Å; Y157-K583 HydrophobicContact CG-CD 4.44Å; Y157-K583 PolarHBondContact OH-N 3.17Å; Y158-K583 HydrophobicContact CE1-CD 4.31Å; Y158-K583 HydrophobicContact CE2-CD 4.13Å; Y158-K583 WeakPolarHBondContact OH-CD 3.36Å; Y158-K583 PolarHBondContact OH-NZ 3.47Å; K583-K585 PolarHBondContact O-N 3.23Å; K583-K585 VanDerWaalsContact O-N 3.13Å; K583-L586 HydrophobicContact CB-CD1 4.37Å; K583-L586 HydrophobicContact CG-CD1 3.63Å; K583-L586 VanDerWaalsContact O-CB 3.31Å; K583-L586 WeakPolarHBondContact O-CB 3.41Å; K583-L586 PolarHBondContact O-N 3.08Å
584D61.4Low65.5Low134 Ų13488.1 Ų88.172%0.71744%0.436SS*.G310 helixtrans-65.3-18178.6-60.8-27.2000113.5P582 S587 F588P582-D584 VanDerWaalsContact C-N 3.27Å; P582-D584 PolarHBondContact O-N 3.3Å; D584-S587 PolarHBondContact O-OG 3.47Å; D584-F588 WeakPolarHBondContact O-CD2 3.39Å
585K48.8Very low63.8Low146 Ų14688.2 Ų88.264%0.63544%0.435SS*.G310 helixtrans-90-12.8171.6-68.8-174.6178.2-178.40113.4P582 K583P582-K585 HydrophobicContact CG-CD 4.28Å; P582-K585 HydrophobicContact CG-CG 4.42Å; P582-K585 PolarHBondContact O-N 3.38Å; K583-K585 PolarHBondContact O-N 3.23Å; K583-K585 VanDerWaalsContact O-N 3.13Å
586L48.8Very low62Low32 Ų3290 Ų9017%0.16844%0.443CS..THydrogen-bonded Turntrans-80.6-29-177.4-79160.7000112.6Y157 M578 K583 F588 I589Y157-L586 HydrophobicContact CD2-CD1 4.48Å; Y157-L586 HydrophobicContact CE2-CD1 4.2Å; M578-L586 HydrophobicContact CB-CD2 4.16Å; M578-L586 HydrophobicContact CE-CD2 3.65Å; M578-L586 HydrophobicContact CG-CD2 3.83Å; M578-L586 HydrophobicContact SD-CD2 3.7Å; K583-L586 HydrophobicContact CB-CD1 4.37Å; K583-L586 HydrophobicContact CG-CD1 3.63Å; K583-L586 VanDerWaalsContact O-CB 3.31Å; K583-L586 WeakPolarHBondContact O-CB 3.41Å; K583-L586 PolarHBondContact O-N 3.08Å; L586-F588 VanDerWaalsContact C-N 3.27Å; L586-F588 PolarHBondContact O-N 3.41Å; L586-I589 PolarHBondContact O-N 3.11Å
587S37.9Very low59.8Low68 Ų6895.6 Ų95.648%0.47647%0.47SS..THydrogen-bonded Turntrans-66.2-28.5175.150.90000113D584D584-S587 PolarHBondContact O-OG 3.47Å
588F27.8Very low57.5Low162 Ų16299.2 Ų99.271%0.71149%0.489SS*.THydrogen-bonded Turntrans-78.9-15.1179.9-71.5-81000114.3D584 L586D584-F588 WeakPolarHBondContact O-CD2 3.39Å; L586-F588 VanDerWaalsContact C-N 3.27Å; L586-F588 PolarHBondContact O-N 3.41Å
589I34.9Very low54.9Low106 Ų106103 Ų10354%0.54451%0.508SS..THydrogen-bonded Turntrans-97.6-20.1-175.8-60.5171.6000111.6L586 D591L586-I589 PolarHBondContact O-N 3.11Å; I589-D591 VanDerWaalsContact C-N 3.35Å
590K29.3Very low51.9Low175 Ų175110.9 Ų110.976%0.76155%0.547SS*.THydrogen-bonded Turntrans-83.4-9.3176.7-75.9-172.4176.5-179.30114
591D25Very low48.5Very low147 Ų147115.2 Ų115.279%0.78657%0.566SS**THydrogen-bonded Turntrans-102.611.4-179.3-74.2-21.1000113.4I589I589-D591 VanDerWaalsContact C-N 3.35Å
592E25.6Very low44.8Very low244 Ų244119.9 Ų119.9100%1.1459%0.593SS**  trans-108.60171.3-78.3-168163.100113.6

Retrieved 592 of 592 residues in 234 ms (Link to these results)

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