A0A060XX68_ONCMY Loading...

BRCA1-A complex subunit Abraxas 1

AlphaFold DB , UniProt , Accession A0A060XX68, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 404 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
1M36.7Very low73.2Confident223 Ų22383.7 Ų83.7100%1.09943%0.426SS*.  079.10-82.5-173.7174.400106.4
2E40.4Very low75Confident152 Ų15279.6 Ų79.671%0.7142%0.419SS*.  trans-79.5162-166-6559.8-136.200109.6S4E2-S4 PolarHBondContact O-N 3.37Å
3D45.9Very low76.5Confident167 Ų16787.4 Ų87.489%0.89345%0.448SS*.  trans-64.887.6165.7-63.4-68.2000109.1N5D3-N5 PolarHBondContact O-N 3.38Å
4S57.1Low77.9Confident65 Ų6582.4 Ų82.446%0.45542%0.424SS..  trans-66.294.8178.849.90000109.4E2 S6E2-S4 PolarHBondContact O-N 3.37Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact O-OG 3.02Å
5N73.5Confident79Confident114 Ų11477.9 Ų77.961%0.6140%0.401SS*.  trans-60.8108.3-169.6-158.312.1000109D3 H57D3-N5 PolarHBondContact O-N 3.38Å; N5-H57 PolarHBondContact O-N 2.95Å
6S84Confident80Confident8 Ų875.3 Ų75.36%0.05640%0.398CS..EExtended strand (participates in β ladder)trans-112.4127.6-165.4-60.60000109.2S4 H57 R156 V165S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact O-OG 3.02Å; S6-H57 VanDerWaalsContact CA-O 3.31Å; S6-H57 WeakPolarHBondContact CA-O 3.49Å; S6-R156 VanDerWaalsContact CB-NH2 3.35Å; S6-R156 PolarHBondContact OG-NH1 2.83Å; S6-R156 PolarHBondContact OG-NH2 3Å; S6-V165 WeakPolarHBondContact O-CG1 3.44Å
7Y90.5Very high80.8Confident40 Ų4073.5 Ų73.516%0.15739%0.394CS..EExtended strand (participates in β ladder)trans-135.1156.1174.569.4-96.7000112.1R9 E56 H57 T58 I59 L168Y7-R9 HydrophobicContact CE2-CB 4.26Å; Y7-E56 HydrophobicContact CD1-CG 4.35Å; Y7-E56 HydrophobicContact CE1-CG 3.7Å; Y7-H57 PolarHBondContact N-O 3.24Å; Y7-T58 HydrophobicContact CE2-CG2 3.75Å; Y7-T58 PolarHBondContact OH-OG1 3.47Å; Y7-I59 PolarHBondContact O-N 3.04Å; Y7-L168 HydrophobicContact CD2-CB 4.34Å; Y7-L168 HydrophobicContact CE2-CD2 4.3Å
8I93.8Very high81.5Confident0 Ų069.5 Ų69.50%037%0.372CS..EExtended strand (participates in β ladder)trans-95.3126.4175.3-47.4-56000108.1I59 I61 I132 V154 V165 P166 V167 L168I8-I59 CarbonylContact C-O 3.6Å; I8-I59 WeakPolarHBondContact CA-O 3.27Å; I8-I59 HydrophobicContact CD1-CB 3.87Å; I8-I59 HydrophobicContact CD1-CD1 4.08Å; I8-I59 HydrophobicContact CD1-CG1 4.45Å; I8-I59 HydrophobicContact CD1-CG2 4.28Å; I8-I61 HydrophobicContact CG2-CD1 3.47Å; I8-I61 VanDerWaalsContact CG2-CD1 3.47Å; I8-I61 HydrophobicContact CG2-CG1 3.83Å; I8-I132 HydrophobicContact CD1-CD1 4.23Å; I8-I132 HydrophobicContact CD1-CG2 4.03Å; I8-I132 HydrophobicContact CG2-CD1 4.45Å; I8-V154 HydrophobicContact CD1-CG1 3.9Å; I8-V154 HydrophobicContact CG1-CB 3.85Å; I8-V154 HydrophobicContact CG1-CG1 3.78Å; I8-V154 HydrophobicContact CG1-CG2 4.03Å; I8-V154 HydrophobicContact CG2-CG2 4.4Å; I8-V165 HydrophobicContact CD1-CB 4.26Å; I8-V165 HydrophobicContact CD1-CG1 3.77Å; I8-V165 HydrophobicContact CG1-CB 4.09Å; I8-V165 HydrophobicContact CG1-CG1 3.77Å; I8-P166 PolarHBondContact N-O 3.42Å; I8-V167 HydrophobicContact CB-CG1 4.41Å; I8-V167 HydrophobicContact CB-CG2 4.19Å; I8-V167 HydrophobicContact CG1-CG2 4.35Å; I8-V167 CarbonylContact O-C 3.49Å; I8-V167 WeakPolarHBondContact O-CA 3.39Å; I8-L168 PolarHBondContact O-N 2.7Å
9R94.1Very high82.1Confident110 Ų11068 Ų6842%0.41536%0.363SS..EExtended strand (participates in β ladder)trans-99.6132.5168.6-163174.8-171.9171.16.7108.9Y7 T58 I59 I61 S170Y7-R9 HydrophobicContact CE2-CB 4.26Å; R9-T58 HydrophobicContact CB-CG2 4.06Å; R9-I59 PolarHBondContact N-O 3.29Å; R9-I61 PolarHBondContact O-N 2.85Å; R9-S170 WeakPolarHBondContact CG-OG 3.06Å; R9-S170 PolarHBondContact NE-OG 2.85Å
10V95.3Very high82.7Confident5 Ų571.1 Ų71.13%0.0337%0.374CS..EExtended strand (participates in β ladder)trans-138.5147.3174.166.90000109.7V14 L15 I61 V167 L168 V169 S170V10-V14 HydrophobicContact CG2-CB 4.24Å; V10-V14 HydrophobicContact CG2-CG1 4.31Å; V10-L15 HydrophobicContact CG2-CB 4.34Å; V10-I61 HydrophobicContact CB-CB 4.2Å; V10-I61 HydrophobicContact CG2-CB 4.01Å; V10-I61 HydrophobicContact CG2-CG2 3.99Å; V10-V167 HydrophobicContact CG1-CG1 3.79Å; V10-L168 PolarHBondContact N-O 3.29Å; V10-V169 HydrophobicContact CG1-CG2 4Å; V10-V169 WeakPolarHBondContact O-CA 3.35Å; V10-S170 PolarHBondContact O-N 3.21Å
11S94.3Very high82.9Confident37 Ų3770.9 Ų70.926%0.25937%0.371SS..EExtended strand (participates in β ladder)trans-84.6147.2172.373.40000110.9F13 V14 L15S11-F13 PolarHBondContact O-N 3.1Å; S11-F13 VanDerWaalsContact O-N 3.16Å; S11-V14 PolarHBondContact O-N 3.41Å; S11-V14 VanDerWaalsContact OG-CG2 3.3Å; S11-V14 WeakPolarHBondContact OG-CG2 3.28Å; S11-V14 PolarHBondContact OG-N 3.05Å; S11-L15 PolarHBondContact O-N 3.41Å; S11-L15 VanDerWaalsContact O-N 3.09Å
12G94.3Very high85.3Confident34 Ų3460.5 Ų60.535%0.35132%0.319SS..Hα-helixtrans-55.7-31.3175.500000113.3G16G12-G16 PolarHBondContact O-N 3.26Å
13F94.8Very high87.6Confident181 Ų18158.6 Ų58.679%0.79431%0.314SS*.Hα-helixtrans-69.8-41.8178.1-51.2-68.6000113.1S11 S17S11-F13 PolarHBondContact O-N 3.1Å; S11-F13 VanDerWaalsContact O-N 3.16Å; F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.44Å; F13-S17 PolarHBondContact O-N 3.46Å
14V95.3Very high89.7Confident18 Ų1855.8 Ų55.811%0.10930%0.298CS..Hα-helixtrans-70.3-42177.7175.10000110.5V10 S11 S17 L18 I61 Q62V10-V14 HydrophobicContact CG2-CB 4.24Å; V10-V14 HydrophobicContact CG2-CG1 4.31Å; S11-V14 PolarHBondContact O-N 3.41Å; S11-V14 VanDerWaalsContact OG-CG2 3.3Å; S11-V14 WeakPolarHBondContact OG-CG2 3.28Å; S11-V14 PolarHBondContact OG-N 3.05Å; V14-S17 PolarHBondContact O-N 2.92Å; V14-L18 HydrophobicContact CG1-CD1 4.37Å; V14-L18 PolarHBondContact O-N 3.44Å; V14-I61 HydrophobicContact CG1-CG2 3.93Å; V14-Q62 VanDerWaalsContact CG2-O 3.25Å; V14-Q62 WeakPolarHBondContact CG2-O 3.49Å
15L94.5Very high91.1Very high15 Ų1554.2 Ų54.28%0.07929%0.288CS..Hα-helixtrans-61.6-47.4174.4-173.760.9000111.1V10 S11 S17 L18 M19 Y152 V169V10-L15 HydrophobicContact CG2-CB 4.34Å; S11-L15 PolarHBondContact O-N 3.41Å; S11-L15 VanDerWaalsContact O-N 3.09Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.27Å; L15-L18 WeakPolarHBondContact O-CB 3.29Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-M19 HydrophobicContact CD1-CE 3.82Å; L15-M19 HydrophobicContact CD2-CE 4.07Å; L15-M19 HydrophobicContact CG-CE 3.7Å; L15-M19 HydrophobicContact CG-SD 4.25Å; L15-M19 VanDerWaalsContact O-CG 3.23Å; L15-M19 WeakPolarHBondContact O-CG 3.21Å; L15-M19 PolarHBondContact O-N 3.02Å; L15-Y152 HydrophobicContact CD2-CE1 4.28Å; L15-Y152 HydrophobicContact CD2-CE2 4.44Å; L15-V169 HydrophobicContact CD2-CG1 4.4Å; L15-V169 HydrophobicContact CD2-CG2 3.83Å
16G95.1Very high91.7Very high35 Ų3556.6 Ų56.636%0.36130%0.3SS..Hα-helixtrans-60.8-36.6175.500000113.6G12 M19 F20G12-G16 PolarHBondContact O-N 3.26Å; G16-M19 PolarHBondContact O-N 3.26Å; G16-F20 WeakPolarHBondContact O-CB 3.39Å; G16-F20 PolarHBondContact O-N 3.48Å
17S94.6Very high91.9Very high46 Ų4659 Ų5932%0.32232%0.317SS..Hα-helixtrans-69.8-39.5176.9-173.40000112.8F13 V14 L15 M19 F20 Q21 H64F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.44Å; F13-S17 PolarHBondContact O-N 3.46Å; V14-S17 PolarHBondContact O-N 2.92Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.27Å; S17-M19 VanDerWaalsContact C-N 3.32Å; S17-M19 PolarHBondContact O-N 2.92Å; S17-F20 PolarHBondContact O-N 3.18Å; S17-Q21 WeakPolarHBondContact O-CG 3.46Å; S17-Q21 PolarHBondContact O-N 3.02Å; S17-Q21 VanDerWaalsContact O-N 3.13Å; S17-H64 PolarHBondContact OG-CE1 3.17Å
18L93.3Very high92Very high1 Ų159.2 Ų59.21%0.00532%0.321CS..Hα-helixtrans-58.8-42.8169.2-82.2161.7000111.7V14 L15 H22 H64 Y101 Q103 L134V14-L18 HydrophobicContact CG1-CD1 4.37Å; V14-L18 PolarHBondContact O-N 3.44Å; L15-L18 WeakPolarHBondContact O-CB 3.29Å; L15-L18 PolarHBondContact O-N 3.19Å; L18-H22 PolarHBondContact O-N 2.86Å; L18-H64 HydrophobicContact CD2-CB 3.95Å; L18-H64 WeakPolarHBondContact CD2-CD2 3.43Å; L18-H64 HydrophobicContact CG-CB 4.35Å; L18-Y101 HydrophobicContact CD2-CD1 3.87Å; L18-Y101 HydrophobicContact CD2-CD2 3.7Å; L18-Y101 HydrophobicContact CD2-CE1 3.72Å; L18-Y101 HydrophobicContact CD2-CE2 3.55Å; L18-Y101 HydrophobicContact CD2-CG 3.86Å; L18-Q103 PolarHBondContact O-NE2 2.81Å; L18-L134 HydrophobicContact CD1-CD2 3.88Å
19M92.9Very high91.9Very high41 Ų4160 Ų6020%0.20233%0.325CS..Hα-helixtrans-68.5-45.5179.3-65.1174.416800111.9L15 G16 S17 Q21 H22 L23 L136 L150 Y152L15-M19 HydrophobicContact CD1-CE 3.82Å; L15-M19 HydrophobicContact CD2-CE 4.07Å; L15-M19 HydrophobicContact CG-CE 3.7Å; L15-M19 HydrophobicContact CG-SD 4.25Å; L15-M19 VanDerWaalsContact O-CG 3.23Å; L15-M19 WeakPolarHBondContact O-CG 3.21Å; L15-M19 PolarHBondContact O-N 3.02Å; G16-M19 PolarHBondContact O-N 3.26Å; S17-M19 VanDerWaalsContact C-N 3.32Å; S17-M19 PolarHBondContact O-N 2.92Å; M19-Q21 PolarHBondContact O-N 2.9Å; M19-H22 WeakPolarHBondContact O-CB 3.48Å; M19-H22 PolarHBondContact O-N 3.23Å; M19-H22 VanDerWaalsContact O-N 3.14Å; M19-L23 WeakPolarHBondContact O-CG 3.15Å; M19-L23 PolarHBondContact O-N 3.47Å; M19-L23 VanDerWaalsContact O-N 3.08Å; M19-L136 HydrophobicContact CG-CD2 4.25Å; M19-L150 HydrophobicContact CB-CD2 4.17Å; M19-L150 HydrophobicContact CE-CD2 3.87Å; M19-L150 HydrophobicContact CE-CG 4.08Å; M19-L150 HydrophobicContact CG-CD2 3.69Å; M19-L150 HydrophobicContact SD-CD2 3.79Å; M19-Y152 HydrophobicContact CE-CD1 4.15Å; M19-Y152 HydrophobicContact CE-CE1 4.45Å
20F93.3Very high91.9Very high130 Ų13054.8 Ų54.857%0.5731%0.306SS*.Hα-helixtrans-57.1-46.7177.9175.8-109.4000112.4G16 S17 H22 L23 N24G16-F20 WeakPolarHBondContact O-CB 3.39Å; G16-F20 PolarHBondContact O-N 3.48Å; S17-F20 PolarHBondContact O-N 3.18Å; F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.28Å; F20-L23 PolarHBondContact O-N 3.3Å; F20-N24 VanDerWaalsContact CE1-ND2 3.29Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.23Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.48Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.17Å; F20-N24 VanDerWaalsContact O-CG 3.27Å; F20-N24 PolarHBondContact O-N 3.06Å; F20-N24 PolarHBondContact O-ND2 2.92Å
21Q87.5Confident91.9Very high66 Ų6654.6 Ų54.631%0.30831%0.305SS..Hα-helixtrans-63.2-31.4178-73.5172.8-15.100113.2S17 M19 H64 S66S17-Q21 WeakPolarHBondContact O-CG 3.46Å; S17-Q21 PolarHBondContact O-N 3.02Å; S17-Q21 VanDerWaalsContact O-N 3.13Å; M19-Q21 PolarHBondContact O-N 2.9Å; Q21-H64 PolarHBondContact OE1-CD2 2.77Å; Q21-H64 VanDerWaalsContact OE1-CD2 3.24Å; Q21-H64 PolarHBondContact OE1-NE2 3.09Å; Q21-S66 PolarHBondContact OE1-OG 2.97Å
22H86.9Confident91.9Very high5 Ų552.9 Ų52.92%0.02329%0.293CS..Hα-helixtrans-73-43.1176.3-165.942000112.8L18 M19 F20 N24 S25 Q103 R105 P138L18-H22 PolarHBondContact O-N 2.86Å; M19-H22 WeakPolarHBondContact O-CB 3.48Å; M19-H22 PolarHBondContact O-N 3.23Å; M19-H22 VanDerWaalsContact O-N 3.14Å; F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.28Å; H22-N24 PolarHBondContact O-N 3.14Å; H22-S25 PolarHBondContact O-N 3.01Å; H22-S25 VanDerWaalsContact O-O 3.09Å; H22-Q103 HydrophobicContact CB-CB 4.46Å; H22-Q103 WeakPolarHBondContact ND1-CB 3.39Å; H22-R105 PolarHBondContact O-NH2 2.89Å; H22-P138 VanDerWaalsContact NE2-CG 3.34Å; H22-P138 WeakPolarHBondContact NE2-CG 3.42Å
23L88.5Confident92Very high112 Ų11251.3 Ų51.359%0.58628%0.276SS*.Hα-helixtrans-61.7-34.2179.3-67.6171.2000111.3M19 F20 S25M19-L23 WeakPolarHBondContact O-CG 3.15Å; M19-L23 PolarHBondContact O-N 3.47Å; M19-L23 VanDerWaalsContact O-N 3.08Å; F20-L23 PolarHBondContact O-N 3.3Å; L23-S25 PolarHBondContact O-N 3.09Å
24N89.6Confident92Very high108 Ų10842.7 Ų42.758%0.57824%0.239SC*.THydrogen-bonded Turntrans-78.79.2175.2-61.3-22.2000114.5F20 H22F20-N24 VanDerWaalsContact CE1-ND2 3.29Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.23Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.48Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.17Å; F20-N24 VanDerWaalsContact O-CG 3.27Å; F20-N24 PolarHBondContact O-N 3.06Å; F20-N24 PolarHBondContact O-ND2 2.92Å; H22-N24 PolarHBondContact O-N 3.14Å
25S87.1Confident91.9Very high32 Ų3242 Ų4222%0.22424%0.235CC..  trans-132.8122-178.9-168.30000112.4H22 L23 S27 R105H22-S25 PolarHBondContact O-N 3.01Å; H22-S25 VanDerWaalsContact O-O 3.09Å; L23-S25 PolarHBondContact O-N 3.09Å; S25-S27 PolarHBondContact O-N 2.96Å; S25-S27 VanDerWaalsContact O-N 3.09Å; S25-R105 PolarHBondContact O-NE 3.33Å; S25-R105 PolarHBondContact O-NH2 2.73Å
26D86.6Confident91.8Very high164 Ų16444 Ų4488%0.87724%0.244SC*.SBendtrans-69-4.8-177.6-54.5-45.8000114.3
27S88.6Confident91.5Very high58 Ų5845 Ų4541%0.40624%0.243SC..SBendtrans-121.4175.6-177.368.60000113.1S25S25-S27 PolarHBondContact O-N 2.96Å; S25-S27 VanDerWaalsContact O-N 3.09Å
28D91.4Very high91.3Very high46 Ų4647 Ų4725%0.24625%0.246CC..  trans-53.6146.3159.1-81.521.8000110L70 K102 Q103 R104D28-L70 HydrophobicContact CB-CD1 3.96Å; D28-L70 HydrophobicContact CB-CD2 3.84Å; D28-L70 HydrophobicContact CB-CG 4.49Å; D28-K102 WeakPolarHBondContact OD2-CE 3.46Å; D28-K102 IonicContact OD2-NZ 2.78Å; D28-Q103 VanDerWaalsContact CA-O 3.26Å; D28-Q103 WeakPolarHBondContact CA-O 3.34Å; D28-Q103 WeakPolarHBondContact CB-O 3.45Å; D28-R104 WeakPolarHBondContact OD1-CA 3.35Å
29V92.5Very high90.9Very high15 Ų1550.1 Ų50.19%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-129.7144.7178.31770000108.9Y101 K102 Q103V29-Y101 HydrophobicContact CG1-CE2 4.38Å; V29-K102 CarbonylContact O-C 3.6Å; V29-K102 WeakPolarHBondContact O-CA 3.39Å; V29-Q103 HydrophobicContact CB-CB 4.36Å; V29-Q103 HydrophobicContact CB-CG 4.48Å; V29-Q103 PolarHBondContact N-O 3.38Å; V29-Q103 PolarHBondContact O-N 3.23Å
30E94.1Very high90.4Very high2 Ų252.9 Ų52.91%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-139.4159.8178.867.9-171.2-164.100111.4C67 L70 N71 F73 Y74 Y101 K102E30-C67 HydrophobicContact CG-CB 4.11Å; E30-C67 WeakPolarHBondContact O-CB 3.23Å; E30-C67 PolarHBondContact O-N 2.71Å; E30-L70 HydrophobicContact CG-CD2 4.2Å; E30-L70 WeakPolarHBondContact OE1-CA 3.31Å; E30-N71 PolarHBondContact OE1-N 3.44Å; E30-F73 HydrophobicContact CG-CE1 4.41Å; E30-Y74 WeakPolarHBondContact OE1-CE1 3.43Å; E30-Y74 WeakPolarHBondContact OE2-CE1 3.44Å; E30-Y74 PolarHBondContact OE2-OH 3.01Å; E30-Y101 WeakPolarHBondContact CA-O 3.49Å; E30-K102 HydrophobicContact CB-CB 4.44Å; E30-K102 HydrophobicContact CB-CG 4.25Å
31G94.4Very high89.9Confident0 Ų052.7 Ų52.70%029%0.285CS..EExtended strand (participates in β ladder)trans-178179.5179.600000114.8I65 W100 Y101G31-I65 CarbonylContact C-O 3.56Å; G31-I65 WeakPolarHBondContact CA-O 3.38Å; G31-W100 CarbonylContact O-C 3.58Å; G31-W100 WeakPolarHBondContact O-CA 3.44Å; G31-W100 WeakPolarHBondContact O-CB 3.2Å; G31-Y101 VanDerWaalsContact C-CD1 3.49Å; G31-Y101 PolarHBondContact N-O 2.91Å; G31-Y101 WeakPolarHBondContact O-CD1 3.44Å; G31-Y101 PolarHBondContact O-N 3.46Å
32L95Very high89.5Confident1 Ų155.6 Ų55.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-97.2149.4179-60.4179.3000110.9H64 I65 I88 L89 W100L32-H64 CarbonylContact O-C 3.56Å; L32-H64 VanDerWaalsContact O-CA 3.29Å; L32-H64 WeakPolarHBondContact O-CA 3.43Å; L32-I65 PolarHBondContact N-O 2.99Å; L32-I65 PolarHBondContact O-N 3.42Å; L32-I88 HydrophobicContact CD1-CG2 4.17Å; L32-L89 HydrophobicContact CD1-CD1 4.19Å; L32-L89 HydrophobicContact CD1-CD2 3.78Å; L32-L89 HydrophobicContact CD1-CG 3.95Å; L32-W100 HydrophobicContact CD2-CB 4.05Å
33I95.5Very high89.1Confident2 Ų258.2 Ų58.21%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-109.9128.3175.6-51.5173.4000108I61 I98 G99 W100 Y101 I132 L134I33-I61 HydrophobicContact CG2-CB 4.29Å; I33-I61 HydrophobicContact CG2-CD1 4.2Å; I33-I61 HydrophobicContact CG2-CG1 3.94Å; I33-I61 HydrophobicContact CG2-CG2 3.65Å; I33-I98 HydrophobicContact CB-CG1 4.39Å; I33-I98 HydrophobicContact CG2-CD1 3.99Å; I33-I98 HydrophobicContact CG2-CG1 3.95Å; I33-I98 PolarHBondContact O-N 2.88Å; I33-G99 PolarHBondContact N-O 3Å; I33-G99 PolarHBondContact O-N 2.7Å; I33-W100 WeakPolarHBondContact CD1-O 3.48Å; I33-Y101 HydrophobicContact CG1-CD1 4.06Å; I33-I132 HydrophobicContact CD1-CD1 4.18Å; I33-I132 HydrophobicContact CD1-CG1 4.23Å; I33-L134 HydrophobicContact CD1-CB 3.73Å; I33-L134 HydrophobicContact CD1-CD2 4.3Å
34L94.7Very high88.2Confident0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-114.2145.8174-52.1-178.2000111.3Q62 K63 I65 L89 Y92 N96 V97L34-Q62 PolarHBondContact O-N 3.14Å; L34-Q62 VanDerWaalsContact O-N 3.13Å; L34-K63 HydrophobicContact CB-CD 4.31Å; L34-K63 HydrophobicContact CB-CG 3.74Å; L34-K63 HydrophobicContact CD1-CD 4.22Å; L34-K63 HydrophobicContact CD1-CG 4.36Å; L34-K63 HydrophobicContact CG-CG 4.44Å; L34-K63 PolarHBondContact N-O 3.02Å; L34-K63 PolarHBondContact O-N 2.84Å; L34-K63 VanDerWaalsContact O-N 3.08Å; L34-I65 HydrophobicContact CD1-CD1 3.76Å; L34-I65 HydrophobicContact CD1-CG1 4.43Å; L34-I65 HydrophobicContact CG-CD1 4.24Å; L34-L89 HydrophobicContact CD2-CD2 4.12Å; L34-Y92 HydrophobicContact CD1-CD1 4.21Å; L34-Y92 HydrophobicContact CD1-CD2 3.95Å; L34-Y92 HydrophobicContact CD1-CG 3.76Å; L34-N96 VanDerWaalsContact CA-O 3.22Å; L34-N96 WeakPolarHBondContact CA-O 3.19Å; L34-N96 HydrophobicContact CB-CB 4.38Å; L34-N96 HydrophobicContact CD2-CB 4.39Å; L34-V97 HydrophobicContact CD2-CB 4.1Å; L34-V97 HydrophobicContact CD2-CG2 3.49Å; L34-V97 VanDerWaalsContact CD2-CG2 3.49Å
35G94Very high87.5Confident3 Ų358 Ų583%0.03131%0.311CS..EExtended strand (participates in β ladder)trans174.5-149.2179.800000111.6N60 N96G35-N60 WeakPolarHBondContact CA-O 3.29Å; G35-N96 PolarHBondContact N-O 2.93Å
36E91.9Very high86.9Confident57 Ų5759.4 Ų59.427%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-137.4153.4-176.663.8-174.6169.100110.4K38 N60 Q62E36-K38 IonicContact OE1-NZ 3.72Å; E36-K38 PolarHBondContact OE1-NZ 2.92Å; E36-K38 WeakPolarHBondContact OE2-CE 2.99Å; E36-K38 IonicContact OE2-NZ 3.82Å; E36-K38 PolarHBondContact OE2-NZ 2.95Å; E36-N60 HydrophobicContact CG-CB 3.77Å; E36-N60 PolarHBondContact N-O 3.06Å; E36-N60 VanDerWaalsContact N-O 3.15Å; E36-N60 PolarHBondContact O-N 3.5Å; E36-N60 PolarHBondContact OE1-ND2 3.11Å; E36-Q62 PolarHBondContact OE1-NE2 3.26Å
37T89.5Confident86.6Confident55 Ų5560.2 Ų60.234%0.33732%0.322SS..EExtended strand (participates in β ladder)trans-112.6132.7171.7-610000108.5H57 I59T37-H57 WeakPolarHBondContact CG2-CE1 3.35Å; T37-H57 VanDerWaalsContact CG2-NE2 3.3Å; T37-H57 WeakPolarHBondContact CG2-NE2 3.41Å; T37-I59 HydrophobicContact CG2-CG1 4.25Å
38K88.9Confident86Confident88 Ų8860.7 Ų60.738%0.38333%0.325SS..EExtended strand (participates in β ladder)trans-130.6126.4-178.3-77173.1171.3158.80110.4E36 T58E36-K38 IonicContact OE1-NZ 3.72Å; E36-K38 PolarHBondContact OE1-NZ 2.92Å; E36-K38 WeakPolarHBondContact OE2-CE 2.99Å; E36-K38 IonicContact OE2-NZ 3.82Å; E36-K38 PolarHBondContact OE2-NZ 2.95Å; K38-T58 PolarHBondContact N-O 3.45Å; K38-T58 PolarHBondContact O-N 2.72Å
39A85.1Confident84.7Confident68 Ų6868.3 Ų68.356%0.56236%0.359SS*.EExtended strand (participates in β ladder)trans-97.2121.2166.400000108.4
40E84Confident83.8Confident99 Ų9973.4 Ų73.446%0.46339%0.385SS..EExtended strand (participates in β ladder)trans-113.1130.3176.8-67.6-178.7-164.200108.9E56E40-E56 PolarHBondContact N-O 3.38Å; E40-E56 PolarHBondContact O-N 3.02Å
41E83Confident82.6Confident126 Ų12678.8 Ų78.859%0.58941%0.414SS*.EExtended strand (participates in β ladder)trans-89.3114.2-178.1-172.1-178.6147.600109.6I53 F55E41-I53 HydrophobicContact CG-CG2 3.55Å; E41-I53 WeakPolarHBondContact OE1-CG2 3.41Å; E41-F55 HydrophobicContact CB-CD1 4.23Å; E41-F55 HydrophobicContact CB-CE1 3.95Å; E41-F55 HydrophobicContact CG-CD1 4.33Å; E41-F55 HydrophobicContact CG-CE1 3.78Å; E41-F55 HydrophobicContact CG-CZ 4.27Å
42R77.6Confident81.5Confident126 Ų12682.5 Ų82.548%0.47543%0.434SS..EExtended strand (participates in β ladder)trans-102.9111.4170.5-66.1-160.9-171.1-150.510.1110N44 Q54 E56R42-N44 PolarHBondContact O-N 3.47Å; R42-Q54 PolarHBondContact N-O 3.11Å; R42-Q54 PolarHBondContact O-N 3.05Å; R42-E56 IonicContact CZ-OE1 2.84Å; R42-E56 IonicContact CZ-OE2 3.41Å; R42-E56 IonicContact NE-OE1 3.01Å; R42-E56 IonicContact NE-OE2 3.46Å; R42-E56 PolarHBondContact NE-OE2 2.87Å; R42-E56 IonicContact NH2-OE1 2.77Å; R42-E56 PolarHBondContact NH2-OE1 3.3Å; R42-E56 IonicContact NH2-OE2 3.51Å; R42-E56 PolarHBondContact NH2-OE2 3.41Å
43S77.9Confident80.6Confident60 Ų6086.2 Ų86.242%0.4245%0.453SS..EExtended strand (participates in β ladder)trans-82.5105.9160.8-174.80000109.1I45S43-I45 PolarHBondContact O-N 3.19Å
44N71Confident79.7Confident70 Ų7090.6 Ų90.637%0.37447%0.473SS..EExtended strand (participates in β ladder)trans-88.396.8173-78.3-32.5000108.6R42 T46 N52 Q54R42-N44 PolarHBondContact O-N 3.47Å; N44-T46 PolarHBondContact O-N 3.04Å; N44-N52 PolarHBondContact N-O 2.9Å; N44-Q54 PolarHBondContact ND2-OE1 3.34Å
45I74.6Confident79Confident147 Ų14796 Ų9675%0.75450%0.497SS*.  trans-63126.3174.6-57.5174.1000108.4S43S43-I45 PolarHBondContact O-N 3.19Å
46T75.4Confident78.5Confident60 Ų6097.3 Ų97.337%0.36850%0.502SS..  trans-109.8163175.965.70000110.4N44 S48 I50N44-T46 PolarHBondContact O-N 3.04Å; T46-S48 CarbonylContact C-O 3.52Å; T46-S48 PolarHBondContact O-N 3.16Å; T46-S48 PolarHBondContact OG1-O 3.49Å; T46-S48 PolarHBondContact OG1-OG 3.27Å; T46-I50 PolarHBondContact OG1-O 3.05Å
47D79.6Confident78.3Confident182 Ų18295.9 Ų95.997%0.97350%0.495SS*.SBendtrans-66.6-15.7173.8-70-36.7000112.8
48S74.8Confident78.3Confident68 Ų6893.6 Ų93.648%0.47648%0.481SS..SBendtrans-78.9142.1163.535.60000111.3T46 I50T46-S48 CarbonylContact C-O 3.52Å; T46-S48 PolarHBondContact O-N 3.16Å; T46-S48 PolarHBondContact OG1-O 3.49Å; T46-S48 PolarHBondContact OG1-OG 3.27Å; S48-I50 PolarHBondContact O-N 3.15Å
49Q65.6Low78.5Confident206 Ų20689.5 Ų89.596%0.96346%0.464SS*.SBendtrans-72.747.2178.8-61.7179.2-36.200113.3
50I72.8Confident78.9Confident121 Ų12188.1 Ų88.162%0.62145%0.447SS*.  trans-134.3110.6-178.6-57.6175.6000106.9T46 S48 N52T46-I50 PolarHBondContact OG1-O 3.05Å; S48-I50 PolarHBondContact O-N 3.15Å; I50-N52 PolarHBondContact O-N 2.86Å
51D68.2Low79.5Confident116 Ų11683.7 Ų83.762%0.6243%0.426SS*.  trans-71.9118.4172.4-62.5-48.8000109.4
52N72.2Confident80Confident78 Ų7881.9 Ų81.942%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-10194.3176.1-167.59.2000109.5N44 I50 Q54N44-N52 PolarHBondContact N-O 2.9Å; I50-N52 PolarHBondContact O-N 2.86Å; N52-Q54 PolarHBondContact O-N 3.33Å
53I76.1Confident80.8Confident79 Ų7979.1 Ų79.141%0.40541%0.409SS..EExtended strand (participates in β ladder)trans-79115.6179.7-57.7175.4000109E41 F55E41-I53 HydrophobicContact CG-CG2 3.55Å; E41-I53 WeakPolarHBondContact OE1-CG2 3.41Å; I53-F55 HydrophobicContact CG2-CE2 4.1Å; I53-F55 HydrophobicContact CG2-CZ 4.02Å
54Q77.8Confident81.6Confident94 Ų9477.6 Ų77.644%0.43940%0.395SS..EExtended strand (participates in β ladder)trans-114.2129179.3-65.7-176.9-25.900110.2R42 N44 N52R42-Q54 PolarHBondContact N-O 3.11Å; R42-Q54 PolarHBondContact O-N 3.05Å; N44-Q54 PolarHBondContact ND2-OE1 3.34Å; N52-Q54 PolarHBondContact O-N 3.33Å
55F79.4Confident82.6Confident112 Ų11275.6 Ų75.649%0.49138%0.384SS..EExtended strand (participates in β ladder)trans-92.2111.6174.2-66.4-76.9000110E41 I53E41-F55 HydrophobicContact CB-CD1 4.23Å; E41-F55 HydrophobicContact CB-CE1 3.95Å; E41-F55 HydrophobicContact CG-CD1 4.33Å; E41-F55 HydrophobicContact CG-CE1 3.78Å; E41-F55 HydrophobicContact CG-CZ 4.27Å; I53-F55 HydrophobicContact CG2-CE2 4.1Å; I53-F55 HydrophobicContact CG2-CZ 4.02Å
56E83.3Confident83.4Confident31 Ų3170.7 Ų70.715%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-90.3124.7176.7-173.7170.4-126.600109.3Y7 E40 R42Y7-E56 HydrophobicContact CD1-CG 4.35Å; Y7-E56 HydrophobicContact CE1-CG 3.7Å; E40-E56 PolarHBondContact N-O 3.38Å; E40-E56 PolarHBondContact O-N 3.02Å; R42-E56 IonicContact CZ-OE1 2.84Å; R42-E56 IonicContact CZ-OE2 3.41Å; R42-E56 IonicContact NE-OE1 3.01Å; R42-E56 IonicContact NE-OE2 3.46Å; R42-E56 PolarHBondContact NE-OE2 2.87Å; R42-E56 IonicContact NH2-OE1 2.77Å; R42-E56 PolarHBondContact NH2-OE1 3.3Å; R42-E56 IonicContact NH2-OE2 3.51Å; R42-E56 PolarHBondContact NH2-OE2 3.41Å
57H86.8Confident84Confident28 Ų2868.6 Ų68.613%0.1335%0.35CS..EExtended strand (participates in β ladder)trans-111.3103.9-168.8-151.9-125.7000112.7N5 S6 Y7 T37 E130N5-H57 PolarHBondContact O-N 2.95Å; S6-H57 VanDerWaalsContact CA-O 3.31Å; S6-H57 WeakPolarHBondContact CA-O 3.49Å; Y7-H57 PolarHBondContact N-O 3.24Å; T37-H57 WeakPolarHBondContact CG2-CE1 3.35Å; T37-H57 VanDerWaalsContact CG2-NE2 3.3Å; T37-H57 WeakPolarHBondContact CG2-NE2 3.41Å; H57-E130 IonicContact CE1-OE1 2.72Å; H57-E130 PolarHBondContact CE1-OE1 3.18Å; H57-E130 IonicContact CE1-OE2 2.73Å; H57-E130 PolarHBondContact CE1-OE2 3.36Å; H57-E130 IonicContact ND1-OE1 3.1Å; H57-E130 PolarHBondContact ND1-OE1 2.68Å
58T90.8Very high84Confident6 Ų672.4 Ų72.44%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-101.7114.7-173.5-57.30000111Y7 R9 K38Y7-T58 HydrophobicContact CE2-CG2 3.75Å; Y7-T58 PolarHBondContact OH-OG1 3.47Å; R9-T58 HydrophobicContact CB-CG2 4.06Å; K38-T58 PolarHBondContact N-O 3.45Å; K38-T58 PolarHBondContact O-N 2.72Å
59I92.9Very high84.5Confident3 Ų376.6 Ų76.62%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-98.2108.8170.5-60.2174.9000107.9Y7 I8 R9 T37 I98 I132Y7-I59 PolarHBondContact O-N 3.04Å; I8-I59 CarbonylContact C-O 3.6Å; I8-I59 WeakPolarHBondContact CA-O 3.27Å; I8-I59 HydrophobicContact CD1-CB 3.87Å; I8-I59 HydrophobicContact CD1-CD1 4.08Å; I8-I59 HydrophobicContact CD1-CG1 4.45Å; I8-I59 HydrophobicContact CD1-CG2 4.28Å; R9-I59 PolarHBondContact N-O 3.29Å; T37-I59 HydrophobicContact CG2-CG1 4.25Å; I59-I98 HydrophobicContact CG2-CB 4.29Å; I59-I98 HydrophobicContact CG2-CD1 3.84Å; I59-I132 HydrophobicContact CD1-CG2 3.74Å; I59-I132 HydrophobicContact CG2-CD1 4.2Å; I59-I132 HydrophobicContact CG2-CG2 4.45Å
60N94.1Very high85.5Confident38 Ų3869.5 Ų69.520%0.20333%0.329CS..EExtended strand (participates in β ladder)trans-99.3108.7-172.8-177.629.2000111.5G35 E36 Q62G35-N60 WeakPolarHBondContact CA-O 3.29Å; E36-N60 HydrophobicContact CG-CB 3.77Å; E36-N60 PolarHBondContact N-O 3.06Å; E36-N60 VanDerWaalsContact N-O 3.15Å; E36-N60 PolarHBondContact O-N 3.5Å; E36-N60 PolarHBondContact OE1-ND2 3.11Å; N60-Q62 PolarHBondContact O-N 2.86Å
61I95.6Very high86.2Confident6 Ų666.7 Ų66.73%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-78.3109.9177.8-62.4-179.5000109.9I8 R9 V10 V14 I33 I98 I132I8-I61 HydrophobicContact CG2-CD1 3.47Å; I8-I61 VanDerWaalsContact CG2-CD1 3.47Å; I8-I61 HydrophobicContact CG2-CG1 3.83Å; R9-I61 PolarHBondContact O-N 2.85Å; V10-I61 HydrophobicContact CB-CB 4.2Å; V10-I61 HydrophobicContact CG2-CB 4.01Å; V10-I61 HydrophobicContact CG2-CG2 3.99Å; V14-I61 HydrophobicContact CG1-CG2 3.93Å; I33-I61 HydrophobicContact CG2-CB 4.29Å; I33-I61 HydrophobicContact CG2-CD1 4.2Å; I33-I61 HydrophobicContact CG2-CG1 3.94Å; I33-I61 HydrophobicContact CG2-CG2 3.65Å; I61-I98 HydrophobicContact CG1-CD1 3.92Å; I61-I132 HydrophobicContact CD1-CD1 3.84Å; I61-I132 HydrophobicContact CG1-CD1 4.17Å
62Q94.1Very high87.1Confident88 Ų8862.8 Ų62.841%0.41130%0.297SS..EExtended strand (participates in β ladder)trans-98.1-33.8-176.7-64179.8-7.500113.4V14 L34 E36 N60V14-Q62 VanDerWaalsContact CG2-O 3.25Å; V14-Q62 WeakPolarHBondContact CG2-O 3.49Å; L34-Q62 PolarHBondContact O-N 3.14Å; L34-Q62 VanDerWaalsContact O-N 3.13Å; E36-Q62 PolarHBondContact OE1-NE2 3.26Å; N60-Q62 PolarHBondContact O-N 2.86Å
63K93.9Very high88Confident68 Ų6859 Ų5930%0.29628%0.277SS..EExtended strand (participates in β ladder)trans-165.4169.7-177.862.4-172.3162.8167.50111.5L34 Y92L34-K63 HydrophobicContact CB-CD 4.31Å; L34-K63 HydrophobicContact CB-CG 3.74Å; L34-K63 HydrophobicContact CD1-CD 4.22Å; L34-K63 HydrophobicContact CD1-CG 4.36Å; L34-K63 HydrophobicContact CG-CG 4.44Å; L34-K63 PolarHBondContact N-O 3.02Å; L34-K63 PolarHBondContact O-N 2.84Å; L34-K63 VanDerWaalsContact O-N 3.08Å; K63-Y92 VanDerWaalsContact NZ-CD1 3.28Å; K63-Y92 VanDerWaalsContact NZ-CE1 3.32Å
64H93.9Very high88.8Confident29 Ų2955.8 Ų55.813%0.13426%0.26CS..EExtended strand (participates in β ladder)trans-137.6162.6178.962.5-63.3000111.5S17 L18 Q21 L32 Y101S17-H64 PolarHBondContact OG-CE1 3.17Å; L18-H64 HydrophobicContact CD2-CB 3.95Å; L18-H64 WeakPolarHBondContact CD2-CD2 3.43Å; L18-H64 HydrophobicContact CG-CB 4.35Å; Q21-H64 PolarHBondContact OE1-CD2 2.77Å; Q21-H64 VanDerWaalsContact OE1-CD2 3.24Å; Q21-H64 PolarHBondContact OE1-NE2 3.09Å; L32-H64 CarbonylContact O-C 3.56Å; L32-H64 VanDerWaalsContact O-CA 3.29Å; L32-H64 WeakPolarHBondContact O-CA 3.43Å; H64-Y101 HydrophobicContact CB-CD1 4.35Å; H64-Y101 HydrophobicContact CB-CE1 3.9Å
65I92.9Very high89.4Confident28 Ų2854.4 Ų54.414%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-131.6112.7178-57.3170.6000108.6G31 L32 L34 I88 L89 Y92G31-I65 CarbonylContact C-O 3.56Å; G31-I65 WeakPolarHBondContact CA-O 3.38Å; L32-I65 PolarHBondContact N-O 2.99Å; L32-I65 PolarHBondContact O-N 3.42Å; L34-I65 HydrophobicContact CD1-CD1 3.76Å; L34-I65 HydrophobicContact CD1-CG1 4.43Å; L34-I65 HydrophobicContact CG-CD1 4.24Å; I65-I88 HydrophobicContact CG2-CG2 3.88Å; I65-L89 HydrophobicContact CD1-CD2 3.87Å; I65-Y92 HydrophobicContact CD1-CD2 3.45Å; I65-Y92 VanDerWaalsContact CD1-CD2 3.45Å; I65-Y92 HydrophobicContact CD1-CE2 3.54Å; I65-Y92 HydrophobicContact CG1-CD2 4.48Å; I65-Y92 HydrophobicContact CG1-CE2 4.12Å
66S90.7Very high89.8Confident44 Ų4459.5 Ų59.531%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-76.2134.7176.9-44.30000112.2Q21 Y101Q21-S66 PolarHBondContact OE1-OG 2.97Å; S66-Y101 VanDerWaalsContact CA-OH 3.28Å; S66-Y101 WeakPolarHBondContact CA-OH 3.46Å; S66-Y101 WeakPolarHBondContact CB-OH 3.39Å; S66-Y101 PolarHBondContact OG-OH 3.25Å
67C88.9Confident90.1Very high15 Ų1564 Ų6410%0.10130%0.295CS..  trans-79.8133169.1-65.70000109.9E30 K69 S72E30-C67 HydrophobicContact CG-CB 4.11Å; E30-C67 WeakPolarHBondContact O-CB 3.23Å; E30-C67 PolarHBondContact O-N 2.71Å; C67-K69 PolarHBondContact O-N 3.13Å; C67-S72 VanDerWaalsContact CB-OG 3.29Å; C67-S72 WeakPolarHBondContact CB-OG 3.42Å; C67-S72 PolarHBondContact SG-OG 3.14Å
68R80.1Confident90.1Very high262 Ų26262.7 Ų62.799%0.98929%0.289SS*.SBendtrans-67.8-4.1179.3-63.4179.9179.5164.6-0.5114.2
69K84.9Confident90.2Very high156 Ų15667.7 Ų67.768%0.67831%0.312SS*.SBendtrans-162.7141.9-175.5-166.2-162.8173.9-171.10109.3C67 S72C67-K69 PolarHBondContact O-N 3.13Å; K69-S72 WeakPolarHBondContact O-CB 3.43Å; K69-S72 PolarHBondContact O-OG 2.85Å
70L85.8Confident90.1Very high57 Ų5769 Ų6930%0.29832%0.32SS..THydrogen-bonded Turntrans-60.7147.8165.9-66.4162.3000111.6D28 E30 S72D28-L70 HydrophobicContact CB-CD1 3.96Å; D28-L70 HydrophobicContact CB-CD2 3.84Å; D28-L70 HydrophobicContact CB-CG 4.49Å; E30-L70 HydrophobicContact CG-CD2 4.2Å; E30-L70 WeakPolarHBondContact OE1-CA 3.31Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 3.24Å
71N87.1Confident90Very high63 Ų6370.6 Ų70.634%0.33733%0.329SS..THydrogen-bonded Turntrans55.842.5-175.9-67.6100.2000112.3E30 Y74E30-N71 PolarHBondContact OE1-N 3.44Å; N71-Y74 CarbonylContact C-O 3.53Å; N71-Y74 WeakPolarHBondContact ND2-CD2 3.08Å; N71-Y74 WeakPolarHBondContact ND2-CE2 3.38Å; N71-Y74 PolarHBondContact ND2-O 3.04Å
72S87.8Confident89.7Confident33 Ų3374.5 Ų74.523%0.23135%0.347CS..SBendtrans-77.4-55.7178.449.80000112C67 K69 L70C67-S72 VanDerWaalsContact CB-OG 3.29Å; C67-S72 WeakPolarHBondContact CB-OG 3.42Å; C67-S72 PolarHBondContact SG-OG 3.14Å; K69-S72 WeakPolarHBondContact O-CB 3.43Å; K69-S72 PolarHBondContact O-OG 2.85Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 3.24Å
73F90.8Very high89.5Confident0 Ų075.4 Ų75.40%036%0.355CS..SBendtrans-93.82.7-177.861.9-92.8000114.1E30 V80 N81 I85 I88 W100 V118 L122E30-F73 HydrophobicContact CG-CE1 4.41Å; F73-V80 WeakPolarHBondContact O-CA 3.39Å; F73-N81 PolarHBondContact O-N 2.78Å; F73-I85 HydrophobicContact CB-CG1 3.8Å; F73-I85 HydrophobicContact CD2-CD1 4.41Å; F73-I85 HydrophobicContact CG-CG1 4.41Å; F73-I88 HydrophobicContact CB-CD1 4.13Å; F73-I88 HydrophobicContact CD1-CD1 4.5Å; F73-W100 HydrophobicContact CZ-CE3 4.18Å; F73-V118 HydrophobicContact CE2-CG1 4.03Å; F73-L122 HydrophobicContact CD2-CD2 4.05Å; F73-L122 HydrophobicContact CE2-CD1 3.9Å; F73-L122 HydrophobicContact CE2-CD2 3.91Å; F73-L122 HydrophobicContact CE2-CG 4.19Å; F73-L122 HydrophobicContact CZ-CD1 4.47Å
74Y92.8Very high89.2Confident11 Ų1175.9 Ų75.94%0.04336%0.358CS..BIsolated β-bridgetrans-150.3146.9-178.670.3-83.6000113.7E30 N71 E79 R114 V118E30-Y74 WeakPolarHBondContact OE1-CE1 3.43Å; E30-Y74 WeakPolarHBondContact OE2-CE1 3.44Å; E30-Y74 PolarHBondContact OE2-OH 3.01Å; N71-Y74 CarbonylContact C-O 3.53Å; N71-Y74 WeakPolarHBondContact ND2-CD2 3.08Å; N71-Y74 WeakPolarHBondContact ND2-CE2 3.38Å; N71-Y74 PolarHBondContact ND2-O 3.04Å; Y74-E79 CarbonylContact C-O 3.6Å; Y74-E79 WeakPolarHBondContact CA-O 3.43Å; Y74-E79 WeakPolarHBondContact CB-O 3.29Å; Y74-R114 HydrophobicContact CE2-CG 4.43Å; Y74-V118 HydrophobicContact CD1-CG1 4.19Å; Y74-V118 HydrophobicContact CD1-CG2 4.5Å; Y74-V118 HydrophobicContact CD2-CG1 4.44Å; Y74-V118 HydrophobicContact CD2-CG2 3.36Å; Y74-V118 HydrophobicContact CE1-CG1 4.42Å; Y74-V118 HydrophobicContact CE2-CG2 3.53Å; Y74-V118 HydrophobicContact CG-CG1 4.18Å; Y74-V118 HydrophobicContact CG-CG2 3.87Å
75N90.5Very high89Confident65 Ų6574.7 Ų74.735%0.34835%0.352SS..  trans-82.1-179.3-175.580.211.7000113.4I77 G78 E79N75-I77 PolarHBondContact O-N 3.29Å; N75-I77 WeakPolarHBondContact OD1-CA 3.41Å; N75-I77 WeakPolarHBondContact OD1-CB 3.32Å; N75-I77 PolarHBondContact OD1-N 3.4Å; N75-G78 PolarHBondContact O-N 3.08Å; N75-G78 VanDerWaalsContact O-N 3.08Å; N75-G78 PolarHBondContact OD1-N 3.04Å; N75-E79 PolarHBondContact N-O 2.92Å; N75-E79 PolarHBondContact ND2-OE2 3.24Å; N75-E79 PolarHBondContact OD1-N 3.18Å; N75-E79 VanDerWaalsContact OD1-N 3.1Å
76R87.6Confident88.8Confident219 Ų21979 Ų7983%0.82637%0.367SS*.THydrogen-bonded Turntrans-61.6-24.9-177.8-68.1-176.9177.2-177.3-0.9114.4R114R76-R114 PolarHBondContact O-NH2 2.91Å
77I89.4Confident88.8Confident125 Ų12583 Ų8364%0.64138%0.38SS*.THydrogen-bonded Turntrans-87-21.8-179.6-54.7174.6000110.5N75N75-I77 PolarHBondContact O-N 3.29Å; N75-I77 WeakPolarHBondContact OD1-CA 3.41Å; N75-I77 WeakPolarHBondContact OD1-CB 3.32Å; N75-I77 PolarHBondContact OD1-N 3.4Å
78G88.1Confident88.7Confident0 Ų084 Ų840%038%0.384CS..  trans105.24.7-178.600000113.9N75 N121N75-G78 PolarHBondContact O-N 3.08Å; N75-G78 VanDerWaalsContact O-N 3.08Å; N75-G78 PolarHBondContact OD1-N 3.04Å; G78-N121 PolarHBondContact O-ND2 3.08Å
79E91.8Very high89.1Confident111 Ų11171.7 Ų71.752%0.51934%0.338SS..  trans-71.4135.4175.4-55.4172.3125.400109.9Y74 N75Y74-E79 CarbonylContact C-O 3.6Å; Y74-E79 WeakPolarHBondContact CA-O 3.43Å; Y74-E79 WeakPolarHBondContact CB-O 3.29Å; N75-E79 PolarHBondContact N-O 2.92Å; N75-E79 PolarHBondContact ND2-OE2 3.24Å; N75-E79 PolarHBondContact OD1-N 3.18Å; N75-E79 VanDerWaalsContact OD1-N 3.1Å
80V92.2Very high89.1Confident30 Ų3068.1 Ų68.118%0.18233%0.333CS..BIsolated β-bridgetrans-93.2133.2-171.5169.30000110.9F73 I85 N121 L122 A125F73-V80 WeakPolarHBondContact O-CA 3.39Å; V80-I85 HydrophobicContact CG1-CD1 3.33Å; V80-I85 HydrophobicContact CG1-CG1 4.24Å; V80-N121 HydrophobicContact CG2-CB 3.78Å; V80-L122 HydrophobicContact CG1-CD2 4.15Å; V80-L122 HydrophobicContact CG2-CD2 4.1Å; V80-L122 HydrophobicContact CG2-CG 4.03Å; V80-A125 HydrophobicContact CB-CB 4.46Å; V80-A125 HydrophobicContact CG1-CB 3.98Å
81N91.6Very high89Confident72 Ų7272 Ų7239%0.38535%0.354SS..  trans-92109173.4-175.6-3.7000110.3F73 D83 E84 I85F73-N81 PolarHBondContact O-N 2.78Å; N81-D83 VanDerWaalsContact C-N 3.3Å; N81-D83 PolarHBondContact O-N 3.26Å; N81-D83 PolarHBondContact OD1-N 3.25Å; N81-D83 VanDerWaalsContact OD1-N 3.08Å; N81-E84 HydrophobicContact CB-CB 4.3Å; N81-E84 HydrophobicContact CB-CG 4.41Å; N81-E84 WeakPolarHBondContact ND2-CG 3.49Å; N81-E84 PolarHBondContact O-N 2.81Å; N81-I85 PolarHBondContact O-N 3.1Å
82Q88.4Confident88.9Confident89 Ų8974 Ų7442%0.41636%0.358SS..Hα-helixtrans-63.9-31.4-179.8-71.8-172.6-24.500113.4I85 R86 A125Q82-I85 PolarHBondContact O-N 2.78Å; Q82-R86 WeakPolarHBondContact O-CG 3.23Å; Q82-R86 PolarHBondContact O-N 2.81Å; Q82-A125 HydrophobicContact CG-CB 4.38Å; Q82-A125 PolarHBondContact NE2-O 3.28Å
83D89.9Confident88.7Confident107 Ų10778.3 Ų78.357%0.57237%0.372SS*.Hα-helixtrans-75.7-33.7-176.8-62.8-36.6000111.7N81 R86 H87N81-D83 VanDerWaalsContact C-N 3.3Å; N81-D83 PolarHBondContact O-N 3.26Å; N81-D83 PolarHBondContact OD1-N 3.25Å; N81-D83 VanDerWaalsContact OD1-N 3.08Å; D83-R86 PolarHBondContact O-N 3.46Å; D83-R86 IonicContact OD1-NH1 2.76Å; D83-R86 PolarHBondContact OD1-NH1 2.69Å; D83-H87 WeakPolarHBondContact O-CB 3.36Å; D83-H87 PolarHBondContact O-N 2.79Å
84E88.6Confident88.2Confident77 Ų7782.7 Ų82.736%0.3639%0.392SS..Hα-helixtrans-69.6-36.5169.6-72.3-70.6-179.800111.8N81 H87 I88N81-E84 HydrophobicContact CB-CB 4.3Å; N81-E84 HydrophobicContact CB-CG 4.41Å; N81-E84 WeakPolarHBondContact ND2-CG 3.49Å; N81-E84 PolarHBondContact O-N 2.81Å; E84-H87 PolarHBondContact O-N 2.8Å; E84-H87 IonicContact OE2-ND1 2.77Å; E84-H87 PolarHBondContact OE2-ND1 2.72Å; E84-I88 WeakPolarHBondContact O-CB 2.99Å; E84-I88 WeakPolarHBondContact O-CD1 3.35Å; E84-I88 VanDerWaalsContact O-CG1 3.23Å; E84-I88 WeakPolarHBondContact O-CG1 3.47Å; E84-I88 PolarHBondContact O-N 3.5Å
85I88.9Confident87.6Confident4 Ų489 Ų892%0.02142%0.422CS..Hα-helixtrans-60.1-47.5171.3-73.2-172.4000110.8F73 V80 N81 Q82 H87 I88 L89 L122 L126F73-I85 HydrophobicContact CB-CG1 3.8Å; F73-I85 HydrophobicContact CD2-CD1 4.41Å; F73-I85 HydrophobicContact CG-CG1 4.41Å; V80-I85 HydrophobicContact CG1-CD1 3.33Å; V80-I85 HydrophobicContact CG1-CG1 4.24Å; N81-I85 PolarHBondContact O-N 3.1Å; Q82-I85 PolarHBondContact O-N 2.78Å; I85-H87 VanDerWaalsContact C-N 3.3Å; I85-H87 PolarHBondContact O-N 2.97Å; I85-I88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 3.58Å; I85-L89 HydrophobicContact CG2-CG 4.3Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 VanDerWaalsContact O-CG 3.31Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.76Å; I85-L122 HydrophobicContact CD1-CD2 3.57Å; I85-L126 HydrophobicContact CG2-CD2 4.19Å
86R89.1Confident87.6Confident120 Ų12088.2 Ų88.245%0.45342%0.418SS..Hα-helixtrans-61.6-37.2176.3-76.4167.8-178.9152.92.8113Q82 D83 L89 S90 E94Q82-R86 WeakPolarHBondContact O-CG 3.23Å; Q82-R86 PolarHBondContact O-N 2.81Å; D83-R86 PolarHBondContact O-N 3.46Å; D83-R86 IonicContact OD1-NH1 2.76Å; D83-R86 PolarHBondContact OD1-NH1 2.69Å; R86-L89 CarbonylContact O-C 3.58Å; R86-S90 WeakPolarHBondContact O-CA 3.13Å; R86-S90 PolarHBondContact O-N 2.97Å; R86-E94 WeakPolarHBondContact CG-OE1 3.37Å; R86-E94 IonicContact NE-OE1 2.69Å
87H89.9Confident87.8Confident126 Ų12677.9 Ų77.958%0.58338%0.379SS*.Hα-helixtrans-67.3-45.8175.7175.3-128.9000111.9D83 E84 I85 L89 S90D83-H87 WeakPolarHBondContact O-CB 3.36Å; D83-H87 PolarHBondContact O-N 2.79Å; E84-H87 PolarHBondContact O-N 2.8Å; E84-H87 IonicContact OE2-ND1 2.77Å; E84-H87 PolarHBondContact OE2-ND1 2.72Å; I85-H87 VanDerWaalsContact C-N 3.3Å; I85-H87 PolarHBondContact O-N 2.97Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 2.82Å; H87-S90 VanDerWaalsContact O-CB 3.26Å; H87-S90 WeakPolarHBondContact O-CB 3.4Å; H87-S90 PolarHBondContact O-N 2.95Å; H87-S90 PolarHBondContact O-OG 3.49Å
88I88.2Confident88Confident37 Ų3772.2 Ų72.219%0.1935%0.351CS..Hα-helixtrans-62.4-39.2174.3-68.8163.5000111.3L32 I65 F73 E84 I85 S90L32-I88 HydrophobicContact CD1-CG2 4.17Å; I65-I88 HydrophobicContact CG2-CG2 3.88Å; F73-I88 HydrophobicContact CB-CD1 4.13Å; F73-I88 HydrophobicContact CD1-CD1 4.5Å; E84-I88 WeakPolarHBondContact O-CB 2.99Å; E84-I88 WeakPolarHBondContact O-CD1 3.35Å; E84-I88 VanDerWaalsContact O-CG1 3.23Å; E84-I88 WeakPolarHBondContact O-CG1 3.47Å; E84-I88 PolarHBondContact O-N 3.5Å; I85-I88 PolarHBondContact O-N 2.75Å; I88-S90 VanDerWaalsContact C-N 3.34Å
89L87.6Confident88.3Confident4 Ų472.2 Ų72.22%0.02135%0.351CS..THydrogen-bonded Turntrans-87.77.3179.3-64.9176.7000113.8L32 L34 I65 I85 R86 H87 N91 Y92 E94 V97L32-L89 HydrophobicContact CD1-CD1 4.19Å; L32-L89 HydrophobicContact CD1-CD2 3.78Å; L32-L89 HydrophobicContact CD1-CG 3.95Å; L34-L89 HydrophobicContact CD2-CD2 4.12Å; I65-L89 HydrophobicContact CD1-CD2 3.87Å; I85-L89 HydrophobicContact CG2-CD1 3.58Å; I85-L89 HydrophobicContact CG2-CG 4.3Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 VanDerWaalsContact O-CG 3.31Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.76Å; R86-L89 CarbonylContact O-C 3.58Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 2.82Å; L89-N91 PolarHBondContact O-N 2.78Å; L89-Y92 CarbonylContact O-C 3.58Å; L89-Y92 WeakPolarHBondContact O-CA 3.32Å; L89-Y92 PolarHBondContact O-N 2.97Å; L89-E94 HydrophobicContact CD1-CG 4.05Å; L89-V97 HydrophobicContact CD1-CG2 3.59Å; L89-V97 HydrophobicContact CD2-CG2 4.02Å; L89-V97 HydrophobicContact CG-CG2 4.49Å
90S85.1Confident88.5Confident81 Ų8167 Ų6757%0.56633%0.326SS*.THydrogen-bonded Turntrans-52.8-25.5-171.348.50000116.3R86 H87 I88R86-S90 WeakPolarHBondContact O-CA 3.13Å; R86-S90 PolarHBondContact O-N 2.97Å; H87-S90 VanDerWaalsContact O-CB 3.26Å; H87-S90 WeakPolarHBondContact O-CB 3.4Å; H87-S90 PolarHBondContact O-N 2.95Å; H87-S90 PolarHBondContact O-OG 3.49Å; I88-S90 VanDerWaalsContact C-N 3.34Å
91N84Confident88.7Confident139 Ų13965.5 Ų65.574%0.74332%0.317SS*.THydrogen-bonded Turntrans-97.15.2176.7-64-53.8000114.3L89L89-N91 PolarHBondContact O-N 2.78Å
92Y84.4Confident88.9Confident105 Ų10563.2 Ų63.241%0.41230%0.304SS..SBendtrans-141.5156.6-170.4-55.6-61.9000111.4L34 K63 I65 L89L34-Y92 HydrophobicContact CD1-CD1 4.21Å; L34-Y92 HydrophobicContact CD1-CD2 3.95Å; L34-Y92 HydrophobicContact CD1-CG 3.76Å; K63-Y92 VanDerWaalsContact NZ-CD1 3.28Å; K63-Y92 VanDerWaalsContact NZ-CE1 3.32Å; I65-Y92 HydrophobicContact CD1-CD2 3.45Å; I65-Y92 VanDerWaalsContact CD1-CD2 3.45Å; I65-Y92 HydrophobicContact CD1-CE2 3.54Å; I65-Y92 HydrophobicContact CG1-CD2 4.48Å; I65-Y92 HydrophobicContact CG1-CE2 4.12Å; L89-Y92 CarbonylContact O-C 3.58Å; L89-Y92 WeakPolarHBondContact O-CA 3.32Å; L89-Y92 PolarHBondContact O-N 2.97Å
93K83.6Confident89.1Confident123 Ų12359 Ų5954%0.53528%0.284SS..  trans-83.5139.2172-51.4176.7172.3-176.90111E95 N96K93-E95 HydrophobicContact CB-CG 3.86Å; K93-E95 HydrophobicContact CD-CG 3.89Å; K93-E95 WeakPolarHBondContact CD-OE1 3.48Å; K93-E95 WeakPolarHBondContact CE-OE1 3.3Å; K93-E95 IonicContact NZ-OE1 2.82Å; K93-E95 PolarHBondContact NZ-OE1 2.86Å; K93-E95 IonicContact NZ-OE2 2.68Å; K93-E95 PolarHBondContact O-N 3.27Å; K93-N96 WeakPolarHBondContact CB-ND2 3.35Å; K93-N96 PolarHBondContact O-N 3.44Å; K93-N96 PolarHBondContact O-ND2 2.92Å; K93-N96 VanDerWaalsContact O-ND2 3.16Å
94E80.4Confident89.3Confident91 Ų9154.6 Ų54.643%0.42526%0.259SS..G310 helixtrans-56.5-31.8173.6-62.3178.9163.200112.5R86 L89 N96 V97R86-E94 WeakPolarHBondContact CG-OE1 3.37Å; R86-E94 IonicContact NE-OE1 2.69Å; L89-E94 HydrophobicContact CD1-CG 4.05Å; E94-N96 PolarHBondContact O-N 3.45Å; E94-N96 VanDerWaalsContact O-N 3.08Å; E94-V97 WeakPolarHBondContact O-CB 3.39Å; E94-V97 VanDerWaalsContact O-CG2 3.28Å; E94-V97 WeakPolarHBondContact O-CG2 3.02Å; E94-V97 PolarHBondContact O-N 3.5Å
95E81.1Confident89.4Confident143 Ų14355.3 Ų55.367%0.66826%0.259SS*.G310 helixtrans-59.5-20.5178.577.2-166.8-158.600114.4K93 V97K93-E95 HydrophobicContact CB-CG 3.86Å; K93-E95 HydrophobicContact CD-CG 3.89Å; K93-E95 WeakPolarHBondContact CD-OE1 3.48Å; K93-E95 WeakPolarHBondContact CE-OE1 3.3Å; K93-E95 IonicContact NZ-OE1 2.82Å; K93-E95 PolarHBondContact NZ-OE1 2.86Å; K93-E95 IonicContact NZ-OE2 2.68Å; K93-E95 PolarHBondContact O-N 3.27Å; E95-V97 VanDerWaalsContact C-N 3.35Å
96N88.9Confident89.5Confident49 Ų4960.2 Ų60.226%0.26229%0.285SS..G310 helixtrans-86.4-2.7177.9-53.8-72.7000113.2L34 G35 K93 E94 I98L34-N96 VanDerWaalsContact CA-O 3.22Å; L34-N96 WeakPolarHBondContact CA-O 3.19Å; L34-N96 HydrophobicContact CB-CB 4.38Å; L34-N96 HydrophobicContact CD2-CB 4.39Å; G35-N96 PolarHBondContact N-O 2.93Å; K93-N96 WeakPolarHBondContact CB-ND2 3.35Å; K93-N96 PolarHBondContact O-N 3.44Å; K93-N96 PolarHBondContact O-ND2 2.92Å; K93-N96 VanDerWaalsContact O-ND2 3.16Å; E94-N96 PolarHBondContact O-N 3.45Å; E94-N96 VanDerWaalsContact O-N 3.08Å; N96-I98 PolarHBondContact O-N 3.18Å
97V92.9Very high89.6Confident2 Ų257 Ų571%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-78.790.5-176.7-172.90000110L34 L89 E94 E95 L126 N128 L131L34-V97 HydrophobicContact CD2-CB 4.1Å; L34-V97 HydrophobicContact CD2-CG2 3.49Å; L34-V97 VanDerWaalsContact CD2-CG2 3.49Å; L89-V97 HydrophobicContact CD1-CG2 3.59Å; L89-V97 HydrophobicContact CD2-CG2 4.02Å; L89-V97 HydrophobicContact CG-CG2 4.49Å; E94-V97 WeakPolarHBondContact O-CB 3.39Å; E94-V97 VanDerWaalsContact O-CG2 3.28Å; E94-V97 WeakPolarHBondContact O-CG2 3.02Å; E94-V97 PolarHBondContact O-N 3.5Å; E95-V97 VanDerWaalsContact C-N 3.35Å; V97-L126 HydrophobicContact CB-CD1 4.21Å; V97-L126 HydrophobicContact CB-CD2 4.48Å; V97-L126 HydrophobicContact CG1-CD1 3.61Å; V97-L126 HydrophobicContact CG2-CD2 4.47Å; V97-N128 PolarHBondContact O-ND2 3.06Å; V97-L131 HydrophobicContact CG1-CD1 4.37Å
98I94.1Very high89.6Confident7 Ų757 Ų574%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-80.9-18.1176.557.9168.2000113I33 I59 I61 N96 L131 I132I33-I98 HydrophobicContact CB-CG1 4.39Å; I33-I98 HydrophobicContact CG2-CD1 3.99Å; I33-I98 HydrophobicContact CG2-CG1 3.95Å; I33-I98 PolarHBondContact O-N 2.88Å; I59-I98 HydrophobicContact CG2-CB 4.29Å; I59-I98 HydrophobicContact CG2-CD1 3.84Å; I61-I98 HydrophobicContact CG1-CD1 3.92Å; N96-I98 PolarHBondContact O-N 3.18Å; I98-L131 WeakPolarHBondContact O-CA 3.36Å; I98-I132 PolarHBondContact O-N 3.41Å
99G94.8Very high89.9Confident0 Ų057.1 Ų57.10%028%0.283CS..EExtended strand (participates in β ladder)trans-174.4-173.1-176.400000115.8I33 I132I33-G99 PolarHBondContact N-O 3Å; I33-G99 PolarHBondContact O-N 2.7Å; G99-I132 CarbonylContact C-O 3.59Å; G99-I132 WeakPolarHBondContact CA-O 3.31Å
100W95.7Very high90.1Very high0 Ų063.4 Ų63.40%031%0.312CS..EExtended strand (participates in β ladder)trans-137.7159.2168.374.2-71.5000110.4G31 L32 I33 F73 K102 E115 V118 H119 L122 I132 F133 L134G31-W100 CarbonylContact O-C 3.58Å; G31-W100 WeakPolarHBondContact O-CA 3.44Å; G31-W100 WeakPolarHBondContact O-CB 3.2Å; L32-W100 HydrophobicContact CD2-CB 4.05Å; I33-W100 WeakPolarHBondContact CD1-O 3.48Å; F73-W100 HydrophobicContact CZ-CE3 4.18Å; W100-K102 HydrophobicContact CZ3-CB 4.18Å; W100-E115 HydrophobicContact CH2-CB 4.11Å; W100-E115 HydrophobicContact CH2-CG 3.86Å; W100-E115 HydrophobicContact CZ2-CB 4.18Å; W100-E115 HydrophobicContact CZ2-CG 4.43Å; W100-V118 HydrophobicContact CH2-CB 4.23Å; W100-V118 HydrophobicContact CH2-CG1 3.86Å; W100-V118 HydrophobicContact CZ2-CB 4.12Å; W100-V118 HydrophobicContact CZ2-CG1 3.82Å; W100-V118 HydrophobicContact CZ3-CG1 4.39Å; W100-H119 HydrophobicContact CZ2-CB 4.35Å; W100-H119 AromaticContact NE1-CG 3.92Å; W100-H119 AromaticContact NE1-ND1 3.53Å; W100-L122 HydrophobicContact CB-CD1 4.05Å; W100-L122 VanDerWaalsContact CD1-CD1 3.45Å; W100-L122 HydrophobicContact CD2-CD1 3.85Å; W100-L122 HydrophobicContact CG-CD1 3.54Å; W100-I132 PolarHBondContact N-O 3.44Å; W100-F133 AromaticContact CD2-CD2 3.69Å; W100-F133 HydrophobicContact CD2-CD2 3.69Å; W100-F133 HydrophobicContact CD2-CE2 4.04Å; W100-F133 AromaticContact CE2-CD2 3.38Å; W100-F133 AromaticContact CE2-CE2 3.83Å; W100-F133 HydrophobicContact CE3-CD2 4.15Å; W100-F133 HydrophobicContact CE3-CE2 4.02Å; W100-F133 HydrophobicContact CG-CD2 4.21Å; W100-F133 HydrophobicContact CH2-CD2 4.12Å; W100-F133 AromaticContact CH2-CE2 3.69Å; W100-F133 HydrophobicContact CH2-CE2 3.69Å; W100-F133 HydrophobicContact CH2-CZ 4.43Å; W100-F133 AromaticContact CZ2-CD2 3.63Å; W100-F133 HydrophobicContact CZ2-CD2 3.63Å; W100-F133 AromaticContact CZ2-CE2 3.67Å; W100-F133 HydrophobicContact CZ2-CE2 3.67Å; W100-F133 HydrophobicContact CZ2-CG 4.42Å; W100-F133 HydrophobicContact CZ2-CZ 4.5Å; W100-F133 HydrophobicContact CZ3-CD2 4.35Å; W100-F133 AromaticContact CZ3-CE2 3.85Å; W100-F133 HydrophobicContact CZ3-CE2 3.85Å; W100-F133 AromaticContact NE1-CD2 3.68Å; W100-F133 WeakPolarHBondContact O-CA 3.38Å; W100-L134 PolarHBondContact O-N 2.93Å
101Y95.7Very high90.4Very high0 Ų060.9 Ų60.90%029%0.292CS..EExtended strand (participates in β ladder)trans-128.8155179.276-87.6000111.7L18 V29 E30 G31 I33 H64 S66 Q103 L134L18-Y101 HydrophobicContact CD2-CD1 3.87Å; L18-Y101 HydrophobicContact CD2-CD2 3.7Å; L18-Y101 HydrophobicContact CD2-CE1 3.72Å; L18-Y101 HydrophobicContact CD2-CE2 3.55Å; L18-Y101 HydrophobicContact CD2-CG 3.86Å; V29-Y101 HydrophobicContact CG1-CE2 4.38Å; E30-Y101 WeakPolarHBondContact CA-O 3.49Å; G31-Y101 VanDerWaalsContact C-CD1 3.49Å; G31-Y101 PolarHBondContact N-O 2.91Å; G31-Y101 WeakPolarHBondContact O-CD1 3.44Å; G31-Y101 PolarHBondContact O-N 3.46Å; I33-Y101 HydrophobicContact CG1-CD1 4.06Å; H64-Y101 HydrophobicContact CB-CD1 4.35Å; H64-Y101 HydrophobicContact CB-CE1 3.9Å; S66-Y101 VanDerWaalsContact CA-OH 3.28Å; S66-Y101 WeakPolarHBondContact CA-OH 3.46Å; S66-Y101 WeakPolarHBondContact CB-OH 3.39Å; S66-Y101 PolarHBondContact OG-OH 3.25Å; Y101-Q103 HydrophobicContact CD2-CG 3.79Å; Y101-Q103 HydrophobicContact CE2-CG 3.92Å; Y101-L134 CarbonylContact C-O 3.53Å; Y101-L134 WeakPolarHBondContact CA-O 3.32Å; Y101-L134 WeakPolarHBondContact CB-O 3.43Å
102K95.5Very high90.9Very high24 Ų2457.1 Ų57.110%0.10427%0.274CS..EExtended strand (participates in β ladder)trans-143.7147.4169.1-172175.2166.3-146.90111D28 V29 E30 W100 R104 E115 F133 L134 L135 L136D28-K102 WeakPolarHBondContact OD2-CE 3.46Å; D28-K102 IonicContact OD2-NZ 2.78Å; V29-K102 CarbonylContact O-C 3.6Å; V29-K102 WeakPolarHBondContact O-CA 3.39Å; E30-K102 HydrophobicContact CB-CB 4.44Å; E30-K102 HydrophobicContact CB-CG 4.25Å; W100-K102 HydrophobicContact CZ3-CB 4.18Å; K102-R104 HydrophobicContact CD-CG 4.49Å; K102-R104 HydrophobicContact CG-CG 4.33Å; K102-E115 HydrophobicContact CD-CG 4.28Å; K102-E115 WeakPolarHBondContact CD-OE1 3.43Å; K102-E115 IonicContact NZ-OE1 3.16Å; K102-E115 PolarHBondContact NZ-OE1 2.81Å; K102-F133 HydrophobicContact CB-CE2 3.77Å; K102-F133 HydrophobicContact CB-CZ 4.05Å; K102-L134 PolarHBondContact N-O 2.93Å; K102-L135 WeakPolarHBondContact O-CA 3.4Å; K102-L136 PolarHBondContact O-N 2.75Å
103Q93.8Very high91.3Very high1 Ų159.7 Ų59.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-125.9122.1-173.6-46.1-174.9-69.700107.8L18 H22 D28 V29 Y101 L136L18-Q103 PolarHBondContact O-NE2 2.81Å; H22-Q103 HydrophobicContact CB-CB 4.46Å; H22-Q103 WeakPolarHBondContact ND1-CB 3.39Å; D28-Q103 VanDerWaalsContact CA-O 3.26Å; D28-Q103 WeakPolarHBondContact CA-O 3.34Å; D28-Q103 WeakPolarHBondContact CB-O 3.45Å; V29-Q103 HydrophobicContact CB-CB 4.36Å; V29-Q103 HydrophobicContact CB-CG 4.48Å; V29-Q103 PolarHBondContact N-O 3.38Å; V29-Q103 PolarHBondContact O-N 3.23Å; Y101-Q103 HydrophobicContact CD2-CG 3.79Å; Y101-Q103 HydrophobicContact CE2-CG 3.92Å; Q103-L136 WeakPolarHBondContact CA-O 3.41Å; Q103-L136 HydrophobicContact CB-CB 4.45Å; Q103-L136 HydrophobicContact CG-CB 4.24Å; Q103-L136 HydrophobicContact CG-CD1 4.02Å
104R93.3Very high91.7Very high13 Ų1359.4 Ų59.45%0.04928%0.283CS..  trans-128.5128.1-173.8-51.5-167.2-53-126.30.8111.6D28 K102 T107 D108 Q110 E115 L135 L136 T137 P138D28-R104 WeakPolarHBondContact OD1-CA 3.35Å; K102-R104 HydrophobicContact CD-CG 4.49Å; K102-R104 HydrophobicContact CG-CG 4.33Å; R104-T107 HydrophobicContact CB-CG2 3.95Å; R104-T107 WeakPolarHBondContact CB-OG1 3.33Å; R104-T107 PolarHBondContact NE-OG1 3.15Å; R104-T107 PolarHBondContact NH2-OG1 3.06Å; R104-D108 PolarHBondContact NH2-O 3.11Å; R104-Q110 PolarHBondContact NH1-O 3.3Å; R104-Q110 PolarHBondContact NH2-O 2.86Å; R104-E115 VanDerWaalsContact NH1-CD 3.31Å; R104-E115 IonicContact NH1-OE1 2.72Å; R104-E115 PolarHBondContact NH1-OE1 2.89Å; R104-E115 VanDerWaalsContact NH1-OE1 3.08Å; R104-E115 IonicContact NH1-OE2 3.08Å; R104-E115 PolarHBondContact NH1-OE2 3.45Å; R104-L135 HydrophobicContact CG-CD1 4.06Å; R104-L136 PolarHBondContact N-O 2.69Å; R104-T137 HydrophobicContact CB-CG2 4.37Å; R104-T137 WeakPolarHBondContact O-CA 3.44Å; R104-P138 WeakPolarHBondContact O-CD 3.39Å
105R91.1Very high92.3Very high92 Ų9255.1 Ų55.135%0.34726%0.264SS..THydrogen-bonded Turntrans-83.3130.2-177.9-66.4171.9170.5-97.41.4110.9H22 S25 T107 P138H22-R105 PolarHBondContact O-NH2 2.89Å; S25-R105 PolarHBondContact O-NE 3.33Å; S25-R105 PolarHBondContact O-NH2 2.73Å; R105-T107 PolarHBondContact O-N 3.16Å; R105-P138 HydrophobicContact CG-CG 4.05Å
106N89.8Confident92.9Very high107 Ų10751.4 Ų51.457%0.57225%0.246SC*.THydrogen-bonded Turntrans55.946.9175.2-60.2-43.9000114.8P138 S139 E140N106-P138 PolarHBondContact N-O 2.75Å; N106-S139 VanDerWaalsContact OD1-CA 3.31Å; N106-S139 WeakPolarHBondContact OD1-CA 3.38Å; N106-E140 PolarHBondContact OD1-N 2.8Å
107T92.3Very high93.1Very high53 Ų5350.9 Ų50.933%0.32525%0.245SC..  trans-128.1152.6175.473.40000112.2R104 R105 T137R104-T107 HydrophobicContact CB-CG2 3.95Å; R104-T107 WeakPolarHBondContact CB-OG1 3.33Å; R104-T107 PolarHBondContact NE-OG1 3.15Å; R104-T107 PolarHBondContact NH2-OG1 3.06Å; R105-T107 PolarHBondContact O-N 3.16Å; T107-T137 WeakPolarHBondContact O-CG2 3.38Å; T107-T137 WeakPolarHBondContact OG1-CG2 3.35Å
108D90.5Very high93.2Very high125 Ų12550.8 Ų50.867%0.66824%0.244SC*.  trans-54.5152170.3-57.9-60000113R104 Q110R104-D108 PolarHBondContact NH2-O 3.11Å; D108-Q110 HydrophobicContact CB-CG 4.32Å; D108-Q110 PolarHBondContact O-N 3.33Å
109Q92.8Very high93.2Very high41 Ų4150.5 Ų50.519%0.19224%0.242CC..SBendtrans-80.355.1178.9-16660.9-1.200112.5L135 T137 Y152 A153Q109-L135 PolarHBondContact NE2-O 3.46Å; Q109-T137 PolarHBondContact OE1-OG1 2.91Å; Q109-Y152 VanDerWaalsContact NE2-C 3.35Å; Q109-A153 HydrophobicContact CG-CB 4.03Å; Q109-A153 VanDerWaalsContact NE2-CB 3.28Å
110Q92.2Very high93.1Very high135 Ų13553.1 Ų53.163%0.63126%0.255SS*.  trans-124.4147.3-179.8-60.1-172.914.800112.1R104 D108R104-Q110 PolarHBondContact NH1-O 3.3Å; R104-Q110 PolarHBondContact NH2-O 2.86Å; D108-Q110 HydrophobicContact CB-CG 4.32Å; D108-Q110 PolarHBondContact O-N 3.33Å
111I92.8Very high93Very high28 Ų2854.5 Ų54.514%0.14426%0.262CS..  trans-78.2128174-167174.2000110.6E115 Q116 F133 Y162I111-E115 HydrophobicContact CD1-CB 4.25Å; I111-E115 HydrophobicContact CG1-CB 3.64Å; I111-Q116 HydrophobicContact CD1-CG 3.87Å; I111-Q116 HydrophobicContact CG1-CG 3.94Å; I111-Q116 HydrophobicContact CG2-CG 4.06Å; I111-F133 HydrophobicContact CB-CE1 4.37Å; I111-F133 HydrophobicContact CD1-CD1 3.72Å; I111-F133 HydrophobicContact CD1-CE1 4.1Å; I111-F133 HydrophobicContact CD1-CG 4.5Å; I111-F133 HydrophobicContact CG1-CD1 3.97Å; I111-F133 HydrophobicContact CG1-CE1 3.83Å; I111-Y162 HydrophobicContact CD1-CD1 3.94Å; I111-Y162 HydrophobicContact CD1-CE1 4.03Å; I111-Y162 HydrophobicContact CD1-CG 4.23Å; I111-Y162 HydrophobicContact CG2-CD2 4.32Å; I111-Y162 HydrophobicContact CG2-CG 4.25Å
112T93.6Very high92.8Very high61 Ų6154.6 Ų54.637%0.37426%0.263SS..  trans-84.3158177.764.60000111.7R114 E115 Q116T112-R114 PolarHBondContact O-N 3.21Å; T112-R114 VanDerWaalsContact O-N 3.14Å; T112-E115 WeakPolarHBondContact CB-OE2 3.44Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.39Å; T112-E115 PolarHBondContact N-OE2 2.84Å; T112-E115 PolarHBondContact O-N 3.44Å; T112-E115 PolarHBondContact OG1-N 3.48Å; T112-E115 PolarHBondContact OG1-OE1 3.08Å; T112-E115 PolarHBondContact OG1-OE2 3.01Å; T112-Q116 WeakPolarHBondContact O-CG 3.47Å; T112-Q116 PolarHBondContact O-N 3.08Å
113F92.1Very high92.7Very high159 Ų15954.5 Ų54.570%0.69726%0.262SS*.Hα-helixtrans-50.5-39176.3177.5-105.9000113.8Q116 V117F113-Q116 PolarHBondContact O-N 2.88Å; F113-V117 HydrophobicContact CD2-CG2 4.48Å; F113-V117 HydrophobicContact CE1-CG2 4.09Å; F113-V117 HydrophobicContact CE2-CG2 4.03Å; F113-V117 HydrophobicContact CZ-CG2 3.82Å; F113-V117 WeakPolarHBondContact O-CG2 3.39Å; F113-V117 PolarHBondContact O-N 2.75Å
114R92.4Very high92.5Very high116 Ų11662.2 Ų62.244%0.43829%0.291SS..Hα-helixtrans-66.7-41.6176.3176.6176.3-82.6152.1-0.7111.9Y74 R76 T112 Q116 V117 V118Y74-R114 HydrophobicContact CE2-CG 4.43Å; R76-R114 PolarHBondContact O-NH2 2.91Å; T112-R114 PolarHBondContact O-N 3.21Å; T112-R114 VanDerWaalsContact O-N 3.14Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-V117 PolarHBondContact O-N 2.78Å; R114-V118 HydrophobicContact CG-CG2 4.25Å; R114-V118 WeakPolarHBondContact O-CB 3.37Å; R114-V118 VanDerWaalsContact O-CG2 3.23Å; R114-V118 WeakPolarHBondContact O-CG2 3.4Å; R114-V118 PolarHBondContact O-N 2.94Å
115E94.1Very high92.4Very high2 Ų262.7 Ų62.71%0.00930%0.298CS..Hα-helixtrans-67.1-36.1177.9-70.6143.1-177.500111.1W100 K102 R104 I111 T112 H119 F133W100-E115 HydrophobicContact CH2-CB 4.11Å; W100-E115 HydrophobicContact CH2-CG 3.86Å; W100-E115 HydrophobicContact CZ2-CB 4.18Å; W100-E115 HydrophobicContact CZ2-CG 4.43Å; K102-E115 HydrophobicContact CD-CG 4.28Å; K102-E115 WeakPolarHBondContact CD-OE1 3.43Å; K102-E115 IonicContact NZ-OE1 3.16Å; K102-E115 PolarHBondContact NZ-OE1 2.81Å; R104-E115 VanDerWaalsContact NH1-CD 3.31Å; R104-E115 IonicContact NH1-OE1 2.72Å; R104-E115 PolarHBondContact NH1-OE1 2.89Å; R104-E115 VanDerWaalsContact NH1-OE1 3.08Å; R104-E115 IonicContact NH1-OE2 3.08Å; R104-E115 PolarHBondContact NH1-OE2 3.45Å; I111-E115 HydrophobicContact CD1-CB 4.25Å; I111-E115 HydrophobicContact CG1-CB 3.64Å; T112-E115 WeakPolarHBondContact CB-OE2 3.44Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.39Å; T112-E115 PolarHBondContact N-OE2 2.84Å; T112-E115 PolarHBondContact O-N 3.44Å; T112-E115 PolarHBondContact OG1-N 3.48Å; T112-E115 PolarHBondContact OG1-OE1 3.08Å; T112-E115 PolarHBondContact OG1-OE2 3.01Å; E115-H119 WeakPolarHBondContact O-CB 3.21Å; E115-H119 PolarHBondContact O-N 2.8Å; E115-F133 HydrophobicContact CB-CE1 4.26Å; E115-F133 HydrophobicContact CB-CZ 4.09Å; E115-F133 HydrophobicContact CG-CE1 4.47Å; E115-F133 HydrophobicContact CG-CE2 4.45Å; E115-F133 HydrophobicContact CG-CZ 3.89Å
116Q93.1Very high92.2Very high64 Ų6459.9 Ų59.930%0.29929%0.29SS..Hα-helixtrans-59.8-52.2171.1-63175.9-26.900111.5I111 T112 F113 R114 V118 H119 E120 Y162I111-Q116 HydrophobicContact CD1-CG 3.87Å; I111-Q116 HydrophobicContact CG1-CG 3.94Å; I111-Q116 HydrophobicContact CG2-CG 4.06Å; T112-Q116 WeakPolarHBondContact O-CG 3.47Å; T112-Q116 PolarHBondContact O-N 3.08Å; F113-Q116 PolarHBondContact O-N 2.88Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-V118 PolarHBondContact O-N 2.9Å; Q116-H119 PolarHBondContact O-N 2.76Å; Q116-E120 PolarHBondContact O-N 3.02Å; Q116-Y162 HydrophobicContact CB-CE2 3.94Å; Q116-Y162 HydrophobicContact CG-CD2 4.03Å; Q116-Y162 HydrophobicContact CG-CE2 3.54Å
117V93.6Very high92.1Very high39 Ų3959.4 Ų59.424%0.23630%0.295CS..Hα-helixtrans-61.2-44179.5172.30000111.7F113 R114 N121F113-V117 HydrophobicContact CD2-CG2 4.48Å; F113-V117 HydrophobicContact CE1-CG2 4.09Å; F113-V117 HydrophobicContact CE2-CG2 4.03Å; F113-V117 HydrophobicContact CZ-CG2 3.82Å; F113-V117 WeakPolarHBondContact O-CG2 3.39Å; F113-V117 PolarHBondContact O-N 2.75Å; R114-V117 PolarHBondContact O-N 2.78Å; V117-N121 WeakPolarHBondContact O-CB 3.5Å; V117-N121 PolarHBondContact O-N 2.82Å; V117-N121 PolarHBondContact O-ND2 2.98Å
118V94.2Very high91.9Very high0 Ų058.6 Ų58.60%029%0.289CS..Hα-helixtrans-64.7-42.11771710000111.2F73 Y74 W100 R114 Q116 N121 L122F73-V118 HydrophobicContact CE2-CG1 4.03Å; Y74-V118 HydrophobicContact CD1-CG1 4.19Å; Y74-V118 HydrophobicContact CD1-CG2 4.5Å; Y74-V118 HydrophobicContact CD2-CG1 4.44Å; Y74-V118 HydrophobicContact CD2-CG2 3.36Å; Y74-V118 HydrophobicContact CE1-CG1 4.42Å; Y74-V118 HydrophobicContact CE2-CG2 3.53Å; Y74-V118 HydrophobicContact CG-CG1 4.18Å; Y74-V118 HydrophobicContact CG-CG2 3.87Å; W100-V118 HydrophobicContact CH2-CB 4.23Å; W100-V118 HydrophobicContact CH2-CG1 3.86Å; W100-V118 HydrophobicContact CZ2-CB 4.12Å; W100-V118 HydrophobicContact CZ2-CG1 3.82Å; W100-V118 HydrophobicContact CZ3-CG1 4.39Å; R114-V118 HydrophobicContact CG-CG2 4.25Å; R114-V118 WeakPolarHBondContact O-CB 3.37Å; R114-V118 VanDerWaalsContact O-CG2 3.23Å; R114-V118 WeakPolarHBondContact O-CG2 3.4Å; R114-V118 PolarHBondContact O-N 2.94Å; Q116-V118 PolarHBondContact O-N 2.9Å; V118-N121 PolarHBondContact O-N 2.77Å; V118-L122 HydrophobicContact CG1-CD1 3.99Å; V118-L122 HydrophobicContact CG1-CG 4.31Å; V118-L122 WeakPolarHBondContact O-CB 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.33Å; V118-L122 PolarHBondContact O-N 3.44Å
119H94.1Very high91.5Very high0 Ų060.1 Ų60.10%029%0.291CS..Hα-helixtrans-62-48.6177.3180107.3000111.6W100 E115 Q116 N121 L122 K123 L131 S157 Y162W100-H119 HydrophobicContact CZ2-CB 4.35Å; W100-H119 AromaticContact NE1-CG 3.92Å; W100-H119 AromaticContact NE1-ND1 3.53Å; E115-H119 WeakPolarHBondContact O-CB 3.21Å; E115-H119 PolarHBondContact O-N 2.8Å; Q116-H119 PolarHBondContact O-N 2.76Å; H119-N121 VanDerWaalsContact C-N 3.3Å; H119-N121 PolarHBondContact O-N 2.9Å; H119-L122 PolarHBondContact O-N 3.31Å; H119-K123 WeakPolarHBondContact O-CG 3.38Å; H119-K123 PolarHBondContact O-N 3.31Å; H119-L131 PolarHBondContact CE1-O 3.47Å; H119-L131 PolarHBondContact NE2-O 2.95Å; H119-S157 PolarHBondContact NE2-OG 2.87Å; H119-Y162 AromaticContact CD2-CE1 3.67Å; H119-Y162 AromaticContact NE2-CE1 3.79Å
120E92.6Very high91.2Very high56 Ų5661.5 Ų61.526%0.26230%0.298SS..Hα-helixtrans-65.5-32.6177-66.3-50.2127.800113.1Q116 R124 S157 Y162Q116-E120 PolarHBondContact O-N 3.02Å; E120-R124 VanDerWaalsContact C-NH2 3.31Å; E120-R124 VanDerWaalsContact O-CZ 3.24Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 PolarHBondContact O-NE 3.35Å; E120-R124 PolarHBondContact O-NH2 3.3Å; E120-S157 WeakPolarHBondContact OE1-CB 3.15Å; E120-Y162 WeakPolarHBondContact CG-OH 3.45Å; E120-Y162 PolarHBondContact OE1-OH 3.02Å
121N93.4Very high91.2Very high29 Ų2955.1 Ų55.116%0.15527%0.268CS..Hα-helixtrans-71.6-37.4174.2-70.9-17.8000111.9G78 V80 V117 V118 H119 R124 A125G78-N121 PolarHBondContact O-ND2 3.08Å; V80-N121 HydrophobicContact CG2-CB 3.78Å; V117-N121 WeakPolarHBondContact O-CB 3.5Å; V117-N121 PolarHBondContact O-N 2.82Å; V117-N121 PolarHBondContact O-ND2 2.98Å; V118-N121 PolarHBondContact O-N 2.77Å; H119-N121 VanDerWaalsContact C-N 3.3Å; H119-N121 PolarHBondContact O-N 2.9Å; N121-R124 PolarHBondContact O-N 3.45Å; N121-R124 VanDerWaalsContact OD1-CZ 3.23Å; N121-R124 PolarHBondContact OD1-NH1 3.1Å; N121-R124 PolarHBondContact OD1-NH2 2.91Å; N121-A125 VanDerWaalsContact O-CB 3.3Å; N121-A125 WeakPolarHBondContact O-CB 3.41Å; N121-A125 PolarHBondContact O-N 3.13Å
122L92.4Very high91.3Very high1 Ų153.8 Ų53.81%0.00526%0.261CS..Hα-helixtrans-63.8-45.3172.2-79.9171.2000111.8F73 V80 I85 W100 V118 H119 R124 A125 L126 L131F73-L122 HydrophobicContact CD2-CD2 4.05Å; F73-L122 HydrophobicContact CE2-CD1 3.9Å; F73-L122 HydrophobicContact CE2-CD2 3.91Å; F73-L122 HydrophobicContact CE2-CG 4.19Å; F73-L122 HydrophobicContact CZ-CD1 4.47Å; V80-L122 HydrophobicContact CG1-CD2 4.15Å; V80-L122 HydrophobicContact CG2-CD2 4.1Å; V80-L122 HydrophobicContact CG2-CG 4.03Å; I85-L122 HydrophobicContact CD1-CD2 3.57Å; W100-L122 HydrophobicContact CB-CD1 4.05Å; W100-L122 VanDerWaalsContact CD1-CD1 3.45Å; W100-L122 HydrophobicContact CD2-CD1 3.85Å; W100-L122 HydrophobicContact CG-CD1 3.54Å; V118-L122 HydrophobicContact CG1-CD1 3.99Å; V118-L122 HydrophobicContact CG1-CG 4.31Å; V118-L122 WeakPolarHBondContact O-CB 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.33Å; V118-L122 PolarHBondContact O-N 3.44Å; H119-L122 PolarHBondContact O-N 3.31Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 3.35Å; L122-A125 VanDerWaalsContact O-N 3.11Å; L122-L126 HydrophobicContact CD2-CD1 4.31Å; L122-L126 WeakPolarHBondContact O-CB 3.16Å; L122-L126 PolarHBondContact O-N 3Å; L122-L131 HydrophobicContact CB-CD2 3.56Å; L122-L131 HydrophobicContact CD1-CD2 4.37Å
123K91.9Very high91.5Very high23 Ų2350.9 Ų50.910%0.124%0.243CC..Hα-helixtrans-54.2-45.4175.7-73.5-176.773.4170.80111.8H119 S127 N128 H129 L131 S157H119-K123 WeakPolarHBondContact O-CG 3.38Å; H119-K123 PolarHBondContact O-N 3.31Å; K123-S127 WeakPolarHBondContact O-CA 3.31Å; K123-S127 PolarHBondContact O-N 2.96Å; K123-N128 WeakPolarHBondContact CG-O 3.33Å; K123-N128 PolarHBondContact O-N 2.85Å; K123-H129 WeakPolarHBondContact CE-O 3.19Å; K123-H129 PolarHBondContact NZ-O 3.1Å; K123-L131 HydrophobicContact CD-CB 4.31Å; K123-L131 HydrophobicContact CG-CB 3.6Å; K123-L131 HydrophobicContact CG-CD2 3.82Å; K123-L131 HydrophobicContact CG-CG 4.36Å; K123-S157 WeakPolarHBondContact CD-OG 3.42Å; K123-S157 PolarHBondContact NZ-OG 3.05Å
124R91Very high91.6Very high162 Ų16243.6 Ų43.661%0.61121%0.212SC*.Hα-helixtrans-71.9-32.9176.6-78.1178.4-87.4105.50.2113.5E120 N121 L122E120-R124 VanDerWaalsContact C-NH2 3.31Å; E120-R124 VanDerWaalsContact O-CZ 3.24Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 PolarHBondContact O-NE 3.35Å; E120-R124 PolarHBondContact O-NH2 3.3Å; N121-R124 PolarHBondContact O-N 3.45Å; N121-R124 VanDerWaalsContact OD1-CZ 3.23Å; N121-R124 PolarHBondContact OD1-NH1 3.1Å; N121-R124 PolarHBondContact OD1-NH2 2.91Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 3.32Å
125A90.2Very high91.8Very high24 Ų2438 Ų3820%0.19819%0.191CC..Hα-helixtrans-74.3-37178.400000113.4V80 Q82 N121 L122V80-A125 HydrophobicContact CB-CB 4.46Å; V80-A125 HydrophobicContact CG1-CB 3.98Å; Q82-A125 HydrophobicContact CG-CB 4.38Å; Q82-A125 PolarHBondContact NE2-O 3.28Å; N121-A125 VanDerWaalsContact O-CB 3.3Å; N121-A125 WeakPolarHBondContact O-CB 3.41Å; N121-A125 PolarHBondContact O-N 3.13Å; L122-A125 PolarHBondContact O-N 3.35Å; L122-A125 VanDerWaalsContact O-N 3.11Å
126L88Confident91.9Very high32 Ų3238 Ų3817%0.16819%0.191CC..Hα-helixtrans-94.1-6.3-177.9-64.9167.5000113.4I85 V97 L122 N128 L131I85-L126 HydrophobicContact CG2-CD2 4.19Å; V97-L126 HydrophobicContact CB-CD1 4.21Å; V97-L126 HydrophobicContact CB-CD2 4.48Å; V97-L126 HydrophobicContact CG1-CD1 3.61Å; V97-L126 HydrophobicContact CG2-CD2 4.47Å; L122-L126 HydrophobicContact CD2-CD1 4.31Å; L122-L126 WeakPolarHBondContact O-CB 3.16Å; L122-L126 PolarHBondContact O-N 3Å; L126-N128 HydrophobicContact CB-CB 4.43Å; L126-N128 PolarHBondContact O-N 3.48Å; L126-N128 VanDerWaalsContact O-N 3.13Å; L126-L131 HydrophobicContact CD1-CD1 3.95Å
127S87.7Confident91.9Very high97 Ų9735 Ų3568%0.67818%0.176SC*.THydrogen-bonded Turntrans5619.5-171.1-52.40000114.9K123K123-S127 WeakPolarHBondContact O-CA 3.31Å; K123-S127 PolarHBondContact O-N 2.96Å
128N86.6Confident91.9Very high37 Ų3734 Ų3420%0.19817%0.171CC..  trans-95.6110.3178.3-174.4-12.4000110.4V97 K123 L126 E130 L131V97-N128 PolarHBondContact O-ND2 3.06Å; K123-N128 WeakPolarHBondContact CG-O 3.33Å; K123-N128 PolarHBondContact O-N 2.85Å; L126-N128 HydrophobicContact CB-CB 4.43Å; L126-N128 PolarHBondContact O-N 3.48Å; L126-N128 VanDerWaalsContact O-N 3.13Å; N128-E130 VanDerWaalsContact C-N 3.32Å; N128-E130 PolarHBondContact OD1-N 2.92Å; N128-L131 HydrophobicContact CB-CD1 4.5Å; N128-L131 PolarHBondContact OD1-N 3.38Å
129H83.8Confident91.7Very high156 Ų15635.4 Ų35.472%0.72218%0.181SC*.THydrogen-bonded Turntrans-77.6-14180-69.1-66.8000114.4K123K123-H129 WeakPolarHBondContact CE-O 3.19Å; K123-H129 PolarHBondContact NZ-O 3.1Å
130E85.9Confident91.4Very high71 Ų7140.7 Ų40.733%0.33221%0.206SC..THydrogen-bonded Turntrans-110.18.6-175.7-58.8-164.298.700113.7H57 N128 I132H57-E130 IonicContact CE1-OE1 2.72Å; H57-E130 PolarHBondContact CE1-OE1 3.18Å; H57-E130 IonicContact CE1-OE2 2.73Å; H57-E130 PolarHBondContact CE1-OE2 3.36Å; H57-E130 IonicContact ND1-OE1 3.1Å; H57-E130 PolarHBondContact ND1-OE1 2.68Å; N128-E130 VanDerWaalsContact C-N 3.32Å; N128-E130 PolarHBondContact OD1-N 2.92Å; E130-I132 PolarHBondContact O-N 3.13Å
131L92.6Very high91.2Very high0 Ų043.2 Ų43.20%022%0.219CC..  trans-44.1127.8180-165.580.3000112V97 I98 H119 L122 K123 L126 N128V97-L131 HydrophobicContact CG1-CD1 4.37Å; I98-L131 WeakPolarHBondContact O-CA 3.36Å; H119-L131 PolarHBondContact CE1-O 3.47Å; H119-L131 PolarHBondContact NE2-O 2.95Å; L122-L131 HydrophobicContact CB-CD2 3.56Å; L122-L131 HydrophobicContact CD1-CD2 4.37Å; K123-L131 HydrophobicContact CD-CB 4.31Å; K123-L131 HydrophobicContact CG-CB 3.6Å; K123-L131 HydrophobicContact CG-CD2 3.82Å; K123-L131 HydrophobicContact CG-CG 4.36Å; L126-L131 HydrophobicContact CD1-CD1 3.95Å; N128-L131 HydrophobicContact CB-CD1 4.5Å; N128-L131 PolarHBondContact OD1-N 3.38Å
132I94.9Very high90.9Very high0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-95.6152.9177.467.8171.2000112.2I8 I33 I59 I61 I98 G99 W100 E130 V154I8-I132 HydrophobicContact CD1-CD1 4.23Å; I8-I132 HydrophobicContact CD1-CG2 4.03Å; I8-I132 HydrophobicContact CG2-CD1 4.45Å; I33-I132 HydrophobicContact CD1-CD1 4.18Å; I33-I132 HydrophobicContact CD1-CG1 4.23Å; I59-I132 HydrophobicContact CD1-CG2 3.74Å; I59-I132 HydrophobicContact CG2-CD1 4.2Å; I59-I132 HydrophobicContact CG2-CG2 4.45Å; I61-I132 HydrophobicContact CD1-CD1 3.84Å; I61-I132 HydrophobicContact CG1-CD1 4.17Å; I98-I132 PolarHBondContact O-N 3.41Å; G99-I132 CarbonylContact C-O 3.59Å; G99-I132 WeakPolarHBondContact CA-O 3.31Å; W100-I132 PolarHBondContact N-O 3.44Å; E130-I132 PolarHBondContact O-N 3.13Å; I132-V154 HydrophobicContact CB-CG1 3.64Å; I132-V154 HydrophobicContact CD1-CG1 3.98Å; I132-V154 HydrophobicContact CG1-CG1 4.26Å; I132-V154 HydrophobicContact CG2-CG1 4.08Å
133F96.1Very high90.7Very high0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-118.1112.4168.3174-120.9000110.6W100 K102 I111 E115 L135 V154 F155W100-F133 AromaticContact CD2-CD2 3.69Å; W100-F133 HydrophobicContact CD2-CD2 3.69Å; W100-F133 HydrophobicContact CD2-CE2 4.04Å; W100-F133 AromaticContact CE2-CD2 3.38Å; W100-F133 AromaticContact CE2-CE2 3.83Å; W100-F133 HydrophobicContact CE3-CD2 4.15Å; W100-F133 HydrophobicContact CE3-CE2 4.02Å; W100-F133 HydrophobicContact CG-CD2 4.21Å; W100-F133 HydrophobicContact CH2-CD2 4.12Å; W100-F133 AromaticContact CH2-CE2 3.69Å; W100-F133 HydrophobicContact CH2-CE2 3.69Å; W100-F133 HydrophobicContact CH2-CZ 4.43Å; W100-F133 AromaticContact CZ2-CD2 3.63Å; W100-F133 HydrophobicContact CZ2-CD2 3.63Å; W100-F133 AromaticContact CZ2-CE2 3.67Å; W100-F133 HydrophobicContact CZ2-CE2 3.67Å; W100-F133 HydrophobicContact CZ2-CG 4.42Å; W100-F133 HydrophobicContact CZ2-CZ 4.5Å; W100-F133 HydrophobicContact CZ3-CD2 4.35Å; W100-F133 AromaticContact CZ3-CE2 3.85Å; W100-F133 HydrophobicContact CZ3-CE2 3.85Å; W100-F133 AromaticContact NE1-CD2 3.68Å; W100-F133 WeakPolarHBondContact O-CA 3.38Å; K102-F133 HydrophobicContact CB-CE2 3.77Å; K102-F133 HydrophobicContact CB-CZ 4.05Å; I111-F133 HydrophobicContact CB-CE1 4.37Å; I111-F133 HydrophobicContact CD1-CD1 3.72Å; I111-F133 HydrophobicContact CD1-CE1 4.1Å; I111-F133 HydrophobicContact CD1-CG 4.5Å; I111-F133 HydrophobicContact CG1-CD1 3.97Å; I111-F133 HydrophobicContact CG1-CE1 3.83Å; E115-F133 HydrophobicContact CB-CE1 4.26Å; E115-F133 HydrophobicContact CB-CZ 4.09Å; E115-F133 HydrophobicContact CG-CE1 4.47Å; E115-F133 HydrophobicContact CG-CE2 4.45Å; E115-F133 HydrophobicContact CG-CZ 3.89Å; F133-L135 HydrophobicContact CE1-CB 3.94Å; F133-L135 HydrophobicContact CZ-CB 4.23Å; F133-L135 HydrophobicContact CZ-CD1 4.25Å; F133-V154 CarbonylContact O-C 3.48Å; F133-V154 WeakPolarHBondContact O-CA 3.48Å; F133-F155 HydrophobicContact CB-CB 4.49Å; F133-F155 HydrophobicContact CD1-CB 4.39Å; F133-F155 AromaticContact CD1-CD2 3.97Å; F133-F155 HydrophobicContact CD1-CD2 3.97Å; F133-F155 HydrophobicContact CE1-CD2 4.45Å; F133-F155 PolarHBondContact N-O 2.96Å; F133-F155 PolarHBondContact O-N 3.46Å
134L96.1Very high90.5Very high6 Ų654.2 Ų54.23%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-92.5114.3174.7173.462.7000110L18 I33 W100 Y101 K102 L136 V154L18-L134 HydrophobicContact CD1-CD2 3.88Å; I33-L134 HydrophobicContact CD1-CB 3.73Å; I33-L134 HydrophobicContact CD1-CD2 4.3Å; W100-L134 PolarHBondContact O-N 2.93Å; Y101-L134 CarbonylContact C-O 3.53Å; Y101-L134 WeakPolarHBondContact CA-O 3.32Å; Y101-L134 WeakPolarHBondContact CB-O 3.43Å; K102-L134 PolarHBondContact N-O 2.93Å; L134-L136 HydrophobicContact CD1-CD1 4.26Å; L134-L136 HydrophobicContact CD2-CD1 3.91Å; L134-L136 HydrophobicContact CG-CD1 3.69Å; L134-V154 HydrophobicContact CB-CG2 4.16Å; L134-V154 HydrophobicContact CD1-CG2 3.6Å; L134-V154 HydrophobicContact CG-CG2 4.42Å
135L95.9Very high90.4Very high0 Ų047.9 Ų47.90%028%0.279CS..EExtended strand (participates in β ladder)trans-98.8129.2172.1179.363.4000109.4K102 R104 Q109 F133 T137 Y152 A153 F155K102-L135 WeakPolarHBondContact O-CA 3.4Å; R104-L135 HydrophobicContact CG-CD1 4.06Å; Q109-L135 PolarHBondContact NE2-O 3.46Å; F133-L135 HydrophobicContact CE1-CB 3.94Å; F133-L135 HydrophobicContact CZ-CB 4.23Å; F133-L135 HydrophobicContact CZ-CD1 4.25Å; L135-T137 HydrophobicContact CD1-CG2 4.29Å; L135-T137 HydrophobicContact CD2-CG2 4.42Å; L135-T137 HydrophobicContact CG-CG2 4.2Å; L135-Y152 VanDerWaalsContact O-CA 3.31Å; L135-Y152 WeakPolarHBondContact O-CA 3.32Å; L135-A153 PolarHBondContact N-O 2.87Å; L135-A153 PolarHBondContact O-N 3.45Å; L135-A153 VanDerWaalsContact O-N 3.08Å; L135-F155 HydrophobicContact CB-CD2 4.38Å; L135-F155 HydrophobicContact CB-CE2 3.99Å; L135-F155 HydrophobicContact CD2-CE2 4.14Å
136L95.2Very high90.6Very high1 Ų150.8 Ų50.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-114.6137.9166.7-62.895000110.4M19 K102 Q103 R104 L134 L150 E151M19-L136 HydrophobicContact CG-CD2 4.25Å; K102-L136 PolarHBondContact O-N 2.75Å; Q103-L136 WeakPolarHBondContact CA-O 3.41Å; Q103-L136 HydrophobicContact CB-CB 4.45Å; Q103-L136 HydrophobicContact CG-CB 4.24Å; Q103-L136 HydrophobicContact CG-CD1 4.02Å; R104-L136 PolarHBondContact N-O 2.69Å; L134-L136 HydrophobicContact CD1-CD1 4.26Å; L134-L136 HydrophobicContact CD2-CD1 3.91Å; L134-L136 HydrophobicContact CG-CD1 3.69Å; L136-L150 HydrophobicContact CB-CD1 4.46Å; L136-E151 CarbonylContact C-O 3.47Å; L136-E151 WeakPolarHBondContact CA-O 3.31Å
137T94.3Very high90.9Very high0 Ų052.5 Ų52.50%031%0.309CS..EExtended strand (participates in β ladder)trans-135.198178.448.30000111.3R104 T107 Q109 L135 E151R104-T137 HydrophobicContact CB-CG2 4.37Å; R104-T137 WeakPolarHBondContact O-CA 3.44Å; T107-T137 WeakPolarHBondContact O-CG2 3.38Å; T107-T137 WeakPolarHBondContact OG1-CG2 3.35Å; Q109-T137 PolarHBondContact OE1-OG1 2.91Å; L135-T137 HydrophobicContact CD1-CG2 4.29Å; L135-T137 HydrophobicContact CD2-CG2 4.42Å; L135-T137 HydrophobicContact CG-CG2 4.2Å; T137-E151 PolarHBondContact N-O 2.66Å; T137-E151 PolarHBondContact O-N 3.09Å
138P92.6Very high91.1Very high19 Ų1953.9 Ų53.912%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-68.6141.4160.730.3-35.9000110.3H22 R104 R105 N106 K149 L150H22-P138 VanDerWaalsContact NE2-CG 3.34Å; H22-P138 WeakPolarHBondContact NE2-CG 3.42Å; R104-P138 WeakPolarHBondContact O-CD 3.39Å; R105-P138 HydrophobicContact CG-CG 4.05Å; N106-P138 PolarHBondContact N-O 2.75Å; P138-K149 VanDerWaalsContact CA-O 3.28Å; P138-K149 WeakPolarHBondContact CA-O 3.38Å; P138-L150 HydrophobicContact CB-CD1 4.05Å
139S90Very high91.4Very high29 Ų2956.2 Ų56.220%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-144.4152.5169.845.50000111.6N106 K149N106-S139 VanDerWaalsContact OD1-CA 3.31Å; N106-S139 WeakPolarHBondContact OD1-CA 3.38Å; S139-K149 PolarHBondContact N-O 2.8Å; S139-K149 PolarHBondContact O-N 2.94Å
140E89.1Confident91.8Very high112 Ų11251.6 Ų51.652%0.52329%0.294SS..EExtended strand (participates in β ladder)trans-87.9123.2169.8-78.9161.9-148.800109.5N106 H148N106-E140 PolarHBondContact OD1-N 2.8Å; E140-H148 VanDerWaalsContact CG-ND1 3.34Å; E140-H148 WeakPolarHBondContact CG-ND1 3.16Å; E140-H148 IonicContact OE1-CE1 3.93Å
141I87.8Confident92.2Very high108 Ų10851.7 Ų51.755%0.55429%0.294SS*.SBendtrans-80.6-37.8178.1-64.9170000110.1T147 K149I141-T147 HydrophobicContact CD1-CG2 4.1Å; I141-T147 PolarHBondContact N-O 2.95Å; I141-K149 HydrophobicContact CD1-CB 3.8Å; I141-K149 HydrophobicContact CD1-CD 4.37Å; I141-K149 HydrophobicContact CD1-CG 4.07Å; I141-K149 HydrophobicContact CG1-CB 3.86Å; I141-K149 HydrophobicContact CG1-CD 4.44Å; I141-K149 HydrophobicContact CG1-CG 4.44Å
142T87.6Confident92.3Very high37 Ų3755.7 Ų55.723%0.22731%0.31CS..SBendtrans-110.5132.7-174.656.20000110.5S144 G145 S146 T147T142-S144 WeakPolarHBondContact CB-OG 3.42Å; T142-S144 PolarHBondContact O-N 3.08Å; T142-S144 PolarHBondContact OG1-OG 2.87Å; T142-G145 PolarHBondContact O-N 2.95Å; T142-S146 PolarHBondContact OG1-N 2.86Å; T142-S146 VanDerWaalsContact OG1-N 3.12Å; T142-S146 PolarHBondContact OG1-OG 2.87Å; T142-S146 VanDerWaalsContact OG1-OG 3.14Å; T142-T147 PolarHBondContact OG1-N 2.99Å
143T86.5Confident92.3Very high159 Ų15956.4 Ų56.498%0.97532%0.316SS*.THydrogen-bonded Turntrans-60.5-14.1175.551.60000114.4
144S89.2Confident92.3Very high88 Ų8856.4 Ų56.462%0.61532%0.316SS*.THydrogen-bonded Turntrans-82.3-4.9172.245.80000114.8T142 S146T142-S144 WeakPolarHBondContact CB-OG 3.42Å; T142-S144 PolarHBondContact O-N 3.08Å; T142-S144 PolarHBondContact OG1-OG 2.87Å; S144-S146 PolarHBondContact O-N 2.94Å; S144-S146 PolarHBondContact OG-OG 2.91Å
145G88.1Confident92.1Very high29 Ų2957.2 Ų57.230%0.29932%0.319SS..SBendtrans65.99.8-172.600000114.6T142 T147 H148T142-G145 PolarHBondContact O-N 2.95Å; G145-T147 VanDerWaalsContact C-N 3.31Å; G145-T147 PolarHBondContact O-N 2.67Å; G145-H148 PolarHBondContact O-NE2 2.95Å
146S94.2Very high91.9Very high86 Ų8659.5 Ų59.560%0.60133%0.327SS*.  trans-78.3-10.4-176.951.50000114.5T142 S144T142-S146 PolarHBondContact OG1-N 2.86Å; T142-S146 VanDerWaalsContact OG1-N 3.12Å; T142-S146 PolarHBondContact OG1-OG 2.87Å; T142-S146 VanDerWaalsContact OG1-OG 3.14Å; S144-S146 PolarHBondContact O-N 2.94Å; S144-S146 PolarHBondContact OG-OG 2.91Å
147T93.8Very high91.5Very high67 Ų6760 Ų6041%0.41133%0.331SS..  trans-148.3114.8-178.5-47.40000110.6I141 T142 G145I141-T147 HydrophobicContact CD1-CG2 4.1Å; I141-T147 PolarHBondContact N-O 2.95Å; T142-T147 PolarHBondContact OG1-N 2.99Å; G145-T147 VanDerWaalsContact C-N 3.31Å; G145-T147 PolarHBondContact O-N 2.67Å
148H91.9Very high91Very high127 Ų12766.2 Ų66.259%0.58836%0.36SS*.EExtended strand (participates in β ladder)trans-101144.7174.9-57.3-82.8000110.7E140 G145E140-H148 VanDerWaalsContact CG-ND1 3.34Å; E140-H148 WeakPolarHBondContact CG-ND1 3.16Å; E140-H148 IonicContact OE1-CE1 3.93Å; G145-H148 PolarHBondContact O-NE2 2.95Å
149K92.9Very high90.3Very high86 Ų8668.9 Ų68.937%0.37439%0.391SS..EExtended strand (participates in β ladder)trans-105.3149.4168.7-152.5-176.5-174.9-162.40108.3P138 S139 I141 E151P138-K149 VanDerWaalsContact CA-O 3.28Å; P138-K149 WeakPolarHBondContact CA-O 3.38Å; S139-K149 PolarHBondContact N-O 2.8Å; S139-K149 PolarHBondContact O-N 2.94Å; I141-K149 HydrophobicContact CD1-CB 3.8Å; I141-K149 HydrophobicContact CD1-CD 4.37Å; I141-K149 HydrophobicContact CD1-CG 4.07Å; I141-K149 HydrophobicContact CG1-CB 3.86Å; I141-K149 HydrophobicContact CG1-CD 4.44Å; I141-K149 HydrophobicContact CG1-CG 4.44Å; K149-E151 HydrophobicContact CD-CG 3.93Å; K149-E151 WeakPolarHBondContact CE-OE1 3.26Å; K149-E151 VanDerWaalsContact CE-OE2 3.31Å; K149-E151 WeakPolarHBondContact CE-OE2 3.43Å; K149-E151 HydrophobicContact CG-CG 4.07Å; K149-E151 IonicContact NZ-OE1 3.14Å; K149-E151 PolarHBondContact NZ-OE1 2.8Å; K149-E151 IonicContact NZ-OE2 3.57Å; K149-E151 PolarHBondContact NZ-OE2 3.2Å
150L92.8Very high89.7Confident59 Ų5973.2 Ų73.231%0.30942%0.421SS..EExtended strand (participates in β ladder)trans-141.497.9168.5178.447.9000109.3M19 L136 P138M19-L150 HydrophobicContact CB-CD2 4.17Å; M19-L150 HydrophobicContact CE-CD2 3.87Å; M19-L150 HydrophobicContact CE-CG 4.08Å; M19-L150 HydrophobicContact CG-CD2 3.69Å; M19-L150 HydrophobicContact SD-CD2 3.79Å; L136-L150 HydrophobicContact CB-CD1 4.46Å; P138-L150 HydrophobicContact CB-CD1 4.05Å
151E94.4Very high89.5Confident72 Ų7274.3 Ų74.334%0.33643%0.426SS..EExtended strand (participates in β ladder)trans-89.3147.9179.4-63-175.7113.800110.5L136 T137 K149L136-E151 CarbonylContact C-O 3.47Å; L136-E151 WeakPolarHBondContact CA-O 3.31Å; T137-E151 PolarHBondContact N-O 2.66Å; T137-E151 PolarHBondContact O-N 3.09Å; K149-E151 HydrophobicContact CD-CG 3.93Å; K149-E151 WeakPolarHBondContact CE-OE1 3.26Å; K149-E151 VanDerWaalsContact CE-OE2 3.31Å; K149-E151 WeakPolarHBondContact CE-OE2 3.43Å; K149-E151 HydrophobicContact CG-CG 4.07Å; K149-E151 IonicContact NZ-OE1 3.14Å; K149-E151 PolarHBondContact NZ-OE1 2.8Å; K149-E151 IonicContact NZ-OE2 3.57Å; K149-E151 PolarHBondContact NZ-OE2 3.2Å
152Y94.5Very high89.5Confident85 Ų8571.4 Ų71.433%0.33341%0.409SS..EExtended strand (participates in β ladder)trans-142.5142.917361.3-86.9000109.6L15 M19 Q109 L135 V167L15-Y152 HydrophobicContact CD2-CE1 4.28Å; L15-Y152 HydrophobicContact CD2-CE2 4.44Å; M19-Y152 HydrophobicContact CE-CD1 4.15Å; M19-Y152 HydrophobicContact CE-CE1 4.45Å; Q109-Y152 VanDerWaalsContact NE2-C 3.35Å; L135-Y152 VanDerWaalsContact O-CA 3.31Å; L135-Y152 WeakPolarHBondContact O-CA 3.32Å; Y152-V167 HydrophobicContact CE2-CB 4.18Å; Y152-V167 HydrophobicContact CE2-CG1 4.02Å
153A94.9Very high89.6Confident14 Ų1472.4 Ų72.412%0.11642%0.416CS..EExtended strand (participates in β ladder)trans-151.9144.6177.300000108.9Q109 L135 F155Q109-A153 HydrophobicContact CG-CB 4.03Å; Q109-A153 VanDerWaalsContact NE2-CB 3.28Å; L135-A153 PolarHBondContact N-O 2.87Å; L135-A153 PolarHBondContact O-N 3.45Å; L135-A153 VanDerWaalsContact O-N 3.08Å; A153-F155 HydrophobicContact CB-CE2 4.04Å; A153-F155 HydrophobicContact CB-CZ 4.16Å
154V95.5Very high89.8Confident0 Ų068.6 Ų68.60%040%0.397CS..EExtended strand (participates in β ladder)trans-105.7127.2174.6177.70000109.1I8 I132 F133 L134 S164 V165 V167I8-V154 HydrophobicContact CD1-CG1 3.9Å; I8-V154 HydrophobicContact CG1-CB 3.85Å; I8-V154 HydrophobicContact CG1-CG1 3.78Å; I8-V154 HydrophobicContact CG1-CG2 4.03Å; I8-V154 HydrophobicContact CG2-CG2 4.4Å; I132-V154 HydrophobicContact CB-CG1 3.64Å; I132-V154 HydrophobicContact CD1-CG1 3.98Å; I132-V154 HydrophobicContact CG1-CG1 4.26Å; I132-V154 HydrophobicContact CG2-CG1 4.08Å; F133-V154 CarbonylContact O-C 3.48Å; F133-V154 WeakPolarHBondContact O-CA 3.48Å; L134-V154 HydrophobicContact CB-CG2 4.16Å; L134-V154 HydrophobicContact CD1-CG2 3.6Å; L134-V154 HydrophobicContact CG-CG2 4.42Å; V154-S164 CarbonylContact O-C 3.54Å; V154-S164 WeakPolarHBondContact O-CA 3.32Å; V154-V165 PolarHBondContact O-N 3.03Å; V154-V167 HydrophobicContact CB-CG2 4.17Å; V154-V167 HydrophobicContact CG2-CG2 3.77Å
155F93.9Very high89.9Confident23 Ų2364.9 Ų64.910%0.10137%0.37CS..EExtended strand (participates in β ladder)trans-104.4135.3175.7-60.9-84.6000110.4F133 L135 A153 C163F133-F155 HydrophobicContact CB-CB 4.49Å; F133-F155 HydrophobicContact CD1-CB 4.39Å; F133-F155 AromaticContact CD1-CD2 3.97Å; F133-F155 HydrophobicContact CD1-CD2 3.97Å; F133-F155 HydrophobicContact CE1-CD2 4.45Å; F133-F155 PolarHBondContact N-O 2.96Å; F133-F155 PolarHBondContact O-N 3.46Å; L135-F155 HydrophobicContact CB-CD2 4.38Å; L135-F155 HydrophobicContact CB-CE2 3.99Å; L135-F155 HydrophobicContact CD2-CE2 4.14Å; A153-F155 HydrophobicContact CB-CE2 4.04Å; A153-F155 HydrophobicContact CB-CZ 4.16Å; F155-C163 WeakPolarHBondContact CA-O 3.39Å
156R90.9Very high90.1Very high48 Ų4867.3 Ų67.318%0.18138%0.381CS..EExtended strand (participates in β ladder)trans-118.1134.7169.3-176.2173.466.4179-4.1109.3S6 H158 C163 V165S6-R156 VanDerWaalsContact CB-NH2 3.35Å; S6-R156 PolarHBondContact OG-NH1 2.83Å; S6-R156 PolarHBondContact OG-NH2 3Å; R156-H158 PolarHBondContact O-N 3.34Å; R156-C163 PolarHBondContact N-O 2.97Å; R156-C163 PolarHBondContact O-N 2.84Å; R156-V165 HydrophobicContact CB-CG2 3.62Å
157S87.4Confident90.1Very high12 Ų1265.1 Ų65.18%0.08436%0.363CS..EExtended strand (participates in β ladder)trans-72.3119.4171.634.40000110.2H119 E120 K123H119-S157 PolarHBondContact NE2-OG 2.87Å; E120-S157 WeakPolarHBondContact OE1-CB 3.15Å; K123-S157 WeakPolarHBondContact CD-OG 3.42Å; K123-S157 PolarHBondContact NZ-OG 3.05Å
158H82.1Confident90.1Very high130 Ų13065.3 Ų65.360%0.60236%0.362SS*.EExtended strand (participates in β ladder)trans-123.7101.9176.3-177.6-104000109R156 S160 Q161R156-H158 PolarHBondContact O-N 3.34Å; H158-S160 PolarHBondContact O-N 2.88Å; H158-Q161 PolarHBondContact N-O 3.28Å; H158-Q161 PolarHBondContact O-N 3.34Å; H158-Q161 VanDerWaalsContact O-N 3.13Å
159G78.1Confident90.2Very high76 Ų7661 Ų6178%0.78434%0.344SS*.THydrogen-bonded Turntrans60.6-119.9-169.500000111.2
160S78.1Confident90.1Very high119 Ų11958.3 Ų58.383%0.83234%0.336SS*.THydrogen-bonded Turntrans-94.53.9178.156.90000114.6H158H158-S160 PolarHBondContact O-N 2.88Å
161Q84.6Confident89.9Confident135 Ų13559.9 Ų59.963%0.63135%0.345SS*.EExtended strand (participates in β ladder)trans-120.6156.9-174.7-59.4-173.99.700111.5H158H158-Q161 PolarHBondContact N-O 3.28Å; H158-Q161 PolarHBondContact O-N 3.34Å; H158-Q161 VanDerWaalsContact O-N 3.13Å
162Y88.2Confident89.6Confident48 Ų4863.5 Ų63.519%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-108116.3173.3-70.5-87.2000109.3I111 Q116 H119 E120I111-Y162 HydrophobicContact CD1-CD1 3.94Å; I111-Y162 HydrophobicContact CD1-CE1 4.03Å; I111-Y162 HydrophobicContact CD1-CG 4.23Å; I111-Y162 HydrophobicContact CG2-CD2 4.32Å; I111-Y162 HydrophobicContact CG2-CG 4.25Å; Q116-Y162 HydrophobicContact CB-CE2 3.94Å; Q116-Y162 HydrophobicContact CG-CD2 4.03Å; Q116-Y162 HydrophobicContact CG-CE2 3.54Å; H119-Y162 AromaticContact CD2-CE1 3.67Å; H119-Y162 AromaticContact NE2-CE1 3.79Å; E120-Y162 WeakPolarHBondContact CG-OH 3.45Å; E120-Y162 PolarHBondContact OE1-OH 3.02Å
163C88.7Confident89Confident57 Ų5762.6 Ų62.639%0.38538%0.383SS..EExtended strand (participates in β ladder)trans-98.7140.3177.1-60.70000109.5F155 R156F155-C163 WeakPolarHBondContact CA-O 3.39Å; R156-C163 PolarHBondContact N-O 2.97Å; R156-C163 PolarHBondContact O-N 2.84Å
164S90.8Very high88.1Confident80 Ų8066.4 Ų66.456%0.55940%0.4SS*.EExtended strand (participates in β ladder)trans-72.4138.4167.8-168.20000109.4V154V154-S164 CarbonylContact O-C 3.54Å; V154-S164 WeakPolarHBondContact O-CA 3.32Å
165V91.8Very high86.9Confident9 Ų971.4 Ų71.46%0.05543%0.427CS..EExtended strand (participates in β ladder)trans-112.4130.9-179.5-172.40000108.4S6 I8 V154 R156S6-V165 WeakPolarHBondContact O-CG1 3.44Å; I8-V165 HydrophobicContact CD1-CB 4.26Å; I8-V165 HydrophobicContact CD1-CG1 3.77Å; I8-V165 HydrophobicContact CG1-CB 4.09Å; I8-V165 HydrophobicContact CG1-CG1 3.77Å; V154-V165 PolarHBondContact O-N 3.03Å; R156-V165 HydrophobicContact CB-CG2 3.62Å
166P93Very high85.3Confident81 Ų8179.6 Ų79.653%0.52647%0.465SS..  trans-60.9142179.824.4-33.8000111.7I8I8-P166 PolarHBondContact N-O 3.42Å
167V93.9Very high84.2Confident39 Ų3986 Ų8624%0.23650%0.498CS..EExtended strand (participates in β ladder)trans-117.2116.1-176.5-174.50000110I8 V10 Y152 V154I8-V167 HydrophobicContact CB-CG1 4.41Å; I8-V167 HydrophobicContact CB-CG2 4.19Å; I8-V167 HydrophobicContact CG1-CG2 4.35Å; I8-V167 CarbonylContact O-C 3.49Å; I8-V167 WeakPolarHBondContact O-CA 3.39Å; V10-V167 HydrophobicContact CG1-CG1 3.79Å; Y152-V167 HydrophobicContact CE2-CB 4.18Å; Y152-V167 HydrophobicContact CE2-CG1 4.02Å; V154-V167 HydrophobicContact CB-CG2 4.17Å; V154-V167 HydrophobicContact CG2-CG2 3.77Å
168L93.4Very high83.2Confident71 Ų7192 Ų9237%0.37252%0.524SS..EExtended strand (participates in β ladder)trans-96.8109.5176.5-17864.5000110.5Y7 I8 V10 S170 L174Y7-L168 HydrophobicContact CD2-CB 4.34Å; Y7-L168 HydrophobicContact CE2-CD2 4.3Å; I8-L168 PolarHBondContact O-N 2.7Å; V10-L168 PolarHBondContact N-O 3.29Å; L168-S170 PolarHBondContact O-N 2.97Å; L168-L174 HydrophobicContact CD1-CD1 4.41Å
169V94Very high83.1Confident36 Ų3692.8 Ų92.822%0.21853%0.533CS..EExtended strand (participates in β ladder)trans-83.2108.5174.7-173.80000109.7V10 L15 N171V10-V169 HydrophobicContact CG1-CG2 4Å; V10-V169 WeakPolarHBondContact O-CA 3.35Å; L15-V169 HydrophobicContact CD2-CG1 4.4Å; L15-V169 HydrophobicContact CD2-CG2 3.83Å; V169-N171 PolarHBondContact O-N 3.39Å; V169-N171 PolarHBondContact O-ND2 3.08Å
170S90.7Very high83.3Confident31 Ų3199 Ų9922%0.21753%0.534CS..EExtended strand (participates in β ladder)trans-70.1125.1-177.7-60.10000111R9 V10 L168R9-S170 WeakPolarHBondContact CG-OG 3.06Å; R9-S170 PolarHBondContact NE-OG 2.85Å; V10-S170 PolarHBondContact O-N 3.21Å; L168-S170 PolarHBondContact O-N 2.97Å
171N89.5Confident83.6Confident92 Ų92104.3 Ų104.349%0.49254%0.536SS..  trans-147.2165.2-174.171.285.2000110.5V169 G173V169-N171 PolarHBondContact O-N 3.39Å; V169-N171 PolarHBondContact O-ND2 3.08Å; N171-G173 VanDerWaalsContact C-N 3.31Å; N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 WeakPolarHBondContact OD1-CA 3.35Å; N171-G173 PolarHBondContact OD1-N 3.05Å
172L87.4Confident83.5Confident147 Ų147109.2 Ų109.277%0.7755%0.548SS*.G310 helixtrans-73.6-16.6-175.8-65.1174000114.4L174 L175L172-L174 PolarHBondContact O-N 3.27Å; L172-L175 HydrophobicContact CD2-CD1 4.36Å; L172-L175 PolarHBondContact O-N 3.01Å
173G81.4Confident83.3Confident67 Ų67114.4 Ų114.469%0.69158%0.579SS**G310 helixtrans-75.6-2.9178.200000114.4N171 L175N171-G173 VanDerWaalsContact C-N 3.31Å; N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 WeakPolarHBondContact OD1-CA 3.35Å; N171-G173 PolarHBondContact OD1-N 3.05Å; G173-L175 VanDerWaalsContact C-N 3.26Å
174L75.8Confident82.8Confident93 Ų93117.1 Ų117.149%0.48760%0.598SS.*G310 helixtrans-88.713.5173.1-60.4172.8000112.7L168 L172L168-L174 HydrophobicContact CD1-CD1 4.41Å; L172-L174 PolarHBondContact O-N 3.27Å
175L71.6Confident82.4Confident106 Ų106118.1 Ų118.156%0.55561%0.612SS**  trans-98.497.6175.2-66171.1000108.7L172 G173 E177L172-L175 HydrophobicContact CD2-CD1 4.36Å; L172-L175 PolarHBondContact O-N 3.01Å; G173-L175 VanDerWaalsContact C-N 3.26Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.08Å
176E60.4Low81.8Confident194 Ų194123.6 Ų123.691%0.90765%0.65SS**  trans-74.2-15.9-169.5-61.4-173.3132.600114.5
177E68Low81.2Confident184 Ų184122.7 Ų122.786%0.8665%0.645SS**  trans-117106.9-174.3-62.8-172.3161.300112.6L175L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.08Å
178Q65Low80.9Confident138 Ų138126.7 Ų126.765%0.64568%0.675SS**  trans-134.318.1169.3-61.6-171.223.700112.9Y180Q178-Y180 VanDerWaalsContact O-CD2 3.3Å; Q178-Y180 WeakPolarHBondContact O-CD2 3.48Å; Q178-Y180 PolarHBondContact O-N 2.83Å; Q178-Y180 VanDerWaalsContact O-N 3.08Å
179D79.9Confident80.8Confident145 Ų145125.9 Ų125.978%0.77568%0.675SS**  trans-7895.4-172.3-84.5-23.2000113.5W181D179-W181 PolarHBondContact O-N 3.3Å
180Y83.8Confident80.6Confident206 Ų206129.5 Ų129.581%0.80870%0.697SS**  trans-74.8108.6170.7-69.3-82.1000111.9Q178 R182Q178-Y180 VanDerWaalsContact O-CD2 3.3Å; Q178-Y180 WeakPolarHBondContact O-CD2 3.48Å; Q178-Y180 PolarHBondContact O-N 2.83Å; Q178-Y180 VanDerWaalsContact O-N 3.08Å; Y180-R182 WeakPolarHBondContact O-CG 3.24Å; Y180-R182 PolarHBondContact O-N 3.46Å
181W84.1Confident80.7Confident231 Ų231134.2 Ų134.288%0.87572%0.72SS**  trans-62.892.5174.4-67.199.1000112.8D179 L183D179-W181 PolarHBondContact O-N 3.3Å; W181-L183 VanDerWaalsContact C-N 3.27Å; W181-L183 PolarHBondContact O-N 2.88Å
182R83.1Confident80.8Confident238 Ų238136.1 Ų136.190%0.89872%0.721SS**  trans-68.3-20.5-178.2-58.2-174.8-174.1177.82.1114.5Y180Y180-R182 WeakPolarHBondContact O-CG 3.24Å; Y180-R182 PolarHBondContact O-N 3.46Å
183L82.6Confident80.8Confident157 Ų157131.9 Ų131.982%0.82270%0.699SS**SBendtrans-132.8131.5179.3-66.2174.9000109.1W181W181-L183 VanDerWaalsContact C-N 3.27Å; W181-L183 PolarHBondContact O-N 2.88Å
184S78.9Confident81.3Confident114 Ų114134.8 Ų134.880%0.79770%0.695SS**PPolyproline II helixtrans-100144.4171.6550000110.8S186S184-S186 PolarHBondContact O-N 3.4Å
185A82.8Confident82.1Confident102 Ų102132.7 Ų132.784%0.84369%0.69SS**PPolyproline II helixtrans-65.3122.5171.900000109.8C187A185-C187 PolarHBondContact O-N 3.32Å
186S79.2Confident83Confident124 Ų124131 Ų13187%0.86768%0.684SS**PPolyproline II helixtrans-74.4119.2-174.351.10000111.8S184S184-S186 PolarHBondContact O-N 3.4Å
187C80.6Confident84.3Confident62 Ų62130.8 Ų130.842%0.41968%0.675SS.*  trans-105.3111.9-179.3-170.50000111.4A185 S189 Y192 N193A185-C187 PolarHBondContact O-N 3.32Å; C187-S189 PolarHBondContact O-N 3.25Å; C187-Y192 HydrophobicContact CB-CD1 3.82Å; C187-Y192 HydrophobicContact CB-CE1 4.01Å; C187-N193 PolarHBondContact O-ND2 3.23Å
188S86.3Confident85.5Confident122 Ų122128.9 Ų128.985%0.85366%0.664SS**  trans-76.5-4.9177.155.80000114.4V190S188-V190 PolarHBondContact O-N 3.03Å
189S91.9Very high86.8Confident54 Ų54126.6 Ų126.638%0.37865%0.653SS.*  trans-66.8116.7-178.71770000111.8C187 N191 Y192 N193C187-S189 PolarHBondContact O-N 3.25Å; S189-N191 VanDerWaalsContact C-N 3.3Å; S189-N191 PolarHBondContact O-N 2.96Å; S189-Y192 PolarHBondContact O-N 2.73Å; S189-Y192 PolarHBondContact OG-N 2.92Å; S189-N193 PolarHBondContact O-N 3.27Å; S189-N193 VanDerWaalsContact O-N 3.1Å; S189-N193 PolarHBondContact O-ND2 3.01Å
190V90.2Very high87.3Confident112 Ų112124.7 Ų124.768%0.67964%0.635SS**Hα-helixtrans-61.2-40177.6-178.60000110.9S188 N193 H194S188-V190 PolarHBondContact O-N 3.03Å; V190-N193 PolarHBondContact O-N 3.01Å; V190-H194 WeakPolarHBondContact O-CB 3.44Å; V190-H194 PolarHBondContact O-N 2.73Å
191N93.1Very high87.5Confident130 Ų130119.9 Ų119.970%0.69563%0.632SS**Hα-helixtrans-66.3-40.8-179-65.738.5000111.9S189 H194 A195S189-N191 VanDerWaalsContact C-N 3.3Å; S189-N191 PolarHBondContact O-N 2.96Å; N191-H194 PolarHBondContact O-N 3.25Å; N191-A195 PolarHBondContact O-N 2.78Å
192Y89.8Confident87.7Confident133 Ų133116 Ų11652%0.52262%0.621SS.*Hα-helixtrans-60.9-51.3173.3173.5-99.9000110.9C187 S189 H194 A195 V196C187-Y192 HydrophobicContact CB-CD1 3.82Å; C187-Y192 HydrophobicContact CB-CE1 4.01Å; S189-Y192 PolarHBondContact O-N 2.73Å; S189-Y192 PolarHBondContact OG-N 2.92Å; Y192-H194 VanDerWaalsContact C-N 3.28Å; Y192-H194 PolarHBondContact O-N 3.39Å; Y192-A195 PolarHBondContact O-N 2.96Å; Y192-A195 VanDerWaalsContact O-N 3.16Å; Y192-V196 HydrophobicContact CD1-CG2 4.43Å; Y192-V196 HydrophobicContact CD2-CG2 4.36Å; Y192-V196 HydrophobicContact CE1-CG2 4.04Å; Y192-V196 HydrophobicContact CE2-CG2 3.96Å; Y192-V196 WeakPolarHBondContact O-CG2 3.2Å; Y192-V196 PolarHBondContact O-N 3.41Å
193N89.1Confident88Confident58 Ų58109.5 Ų109.531%0.3160%0.599SS.*Hα-helixtrans-59.5-37.4178.3-81.5-88.3000112.5C187 S189 V190 R197C187-N193 PolarHBondContact O-ND2 3.23Å; S189-N193 PolarHBondContact O-N 3.27Å; S189-N193 VanDerWaalsContact O-N 3.1Å; S189-N193 PolarHBondContact O-ND2 3.01Å; V190-N193 PolarHBondContact O-N 3.01Å; N193-R197 WeakPolarHBondContact O-CB 3.3Å; N193-R197 WeakPolarHBondContact O-CG 3.2Å; N193-R197 PolarHBondContact O-N 2.95Å
194H91Very high88.4Confident128 Ų128105.6 Ų105.659%0.59358%0.576SS**Hα-helixtrans-66-46174.9-177.985.5000112.1V190 N191 Y192 R197 K198V190-H194 WeakPolarHBondContact O-CB 3.44Å; V190-H194 PolarHBondContact O-N 2.73Å; N191-H194 PolarHBondContact O-N 3.25Å; Y192-H194 VanDerWaalsContact C-N 3.28Å; Y192-H194 PolarHBondContact O-N 3.39Å; H194-R197 PolarHBondContact O-N 3.38Å; H194-K198 WeakPolarHBondContact O-CB 3.34Å; H194-K198 PolarHBondContact O-N 2.75Å
195A92.4Very high88.8Confident48 Ų48102.1 Ų102.140%0.39755%0.552SS.*Hα-helixtrans-62.3-45.5178.700000112.2N191 Y192 K198 H199N191-A195 PolarHBondContact O-N 2.78Å; Y192-A195 PolarHBondContact O-N 2.96Å; Y192-A195 VanDerWaalsContact O-N 3.16Å; A195-K198 PolarHBondContact O-N 2.94Å; A195-H199 PolarHBondContact O-CD2 2.85Å; A195-H199 PolarHBondContact O-N 3.43Å
196V89.9Confident88.9Confident70 Ų70103.9 Ų103.942%0.42456%0.558SS.*Hα-helixtrans-61.3-47.6175.7174.40000110.7Y192 K198 H199 R200Y192-V196 HydrophobicContact CD1-CG2 4.43Å; Y192-V196 HydrophobicContact CD2-CG2 4.36Å; Y192-V196 HydrophobicContact CE1-CG2 4.04Å; Y192-V196 HydrophobicContact CE2-CG2 3.96Å; Y192-V196 WeakPolarHBondContact O-CG2 3.2Å; Y192-V196 PolarHBondContact O-N 3.41Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.29Å; V196-H199 CarbonylContact O-C 3.58Å; V196-H199 PolarHBondContact O-N 3.22Å; V196-R200 PolarHBondContact O-N 3.03Å
197R89Confident89.3Confident191 Ų191104.2 Ų104.272%0.72155%0.55SS*.Hα-helixtrans-61.9-38.9178-74173.9-175-164.31.4112.8N193 H194 H199 R200N193-R197 WeakPolarHBondContact O-CB 3.3Å; N193-R197 WeakPolarHBondContact O-CG 3.2Å; N193-R197 PolarHBondContact O-N 2.95Å; H194-R197 PolarHBondContact O-N 3.38Å; R197-H199 PolarHBondContact O-N 3Å; R197-R200 PolarHBondContact O-N 3.37Å
198K93.3Very high89.5Confident144 Ų144102.8 Ų102.863%0.62655%0.545SS*.Hα-helixtrans-63.1-26.4177.8-176.3178.3178.5-176.90113.4H194 A195 V196H194-K198 WeakPolarHBondContact O-CB 3.34Å; H194-K198 PolarHBondContact O-N 2.75Å; A195-K198 PolarHBondContact O-N 2.94Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.29Å
199H91.7Very high89.6Confident90 Ų9098.3 Ų98.342%0.41752%0.515SS..Hα-helixtrans-112.1-1.5-179.4-64.7-51.7000114.4A195 V196 R197 S201 K202A195-H199 PolarHBondContact O-CD2 2.85Å; A195-H199 PolarHBondContact O-N 3.43Å; V196-H199 CarbonylContact O-C 3.58Å; V196-H199 PolarHBondContact O-N 3.22Å; R197-H199 PolarHBondContact O-N 3Å; H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 2.87Å; H199-K202 WeakPolarHBondContact O-CB 3.41Å; H199-K202 PolarHBondContact O-N 2.79Å; H199-K202 VanDerWaalsContact O-N 3.1Å
200R89.8Confident89.6Confident104 Ų10499 Ų9939%0.39251%0.513SS..G310 helixtrans-52.2-44.2-179.6179170.7175.974.55.5112.9V196 R197 K202 F203 F204V196-R200 PolarHBondContact O-N 3.03Å; R197-R200 PolarHBondContact O-N 3.37Å; R200-K202 PolarHBondContact O-N 3.33Å; R200-F203 PolarHBondContact O-N 2.89Å; R200-F204 HydrophobicContact CG-CB 3.86Å; R200-F204 HydrophobicContact CG-CD2 3.68Å; R200-F204 HydrophobicContact CG-CG 4Å; R200-F204 VanDerWaalsContact CZ-CG 3.42Å; R200-F204 VanDerWaalsContact NH1-CD1 3.33Å; R200-F204 VanDerWaalsContact NH1-CD2 3.27Å; R200-F204 VanDerWaalsContact NH1-CE2 3.3Å; R200-F204 VanDerWaalsContact NH1-CG 3.27Å; R200-F204 VanDerWaalsContact NH1-CZ 3.34Å; R200-F204 VanDerWaalsContact NH2-CD1 3.26Å; R200-F204 PolarHBondContact O-N 3.03Å
201S88.1Confident89.6Confident105 Ų10598.3 Ų98.373%0.73450%0.503SS*.G310 helixtrans-73.413.2-178.168.50000115H199H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 2.87Å
202K89.6Confident89.6Confident150 Ų15095.4 Ų95.465%0.65249%0.485SS*.G310 helixtrans-91.2-22.4166.8-72-172.4165.1-165.50113.4H199 R200H199-K202 WeakPolarHBondContact O-CB 3.41Å; H199-K202 PolarHBondContact O-N 2.79Å; H199-K202 VanDerWaalsContact O-N 3.1Å; R200-K202 PolarHBondContact O-N 3.33Å
203F88.8Confident89.7Confident102 Ų10293.4 Ų93.445%0.44749%0.486SS..THydrogen-bonded Turntrans-124.8-38.3-172.3-48.5-81.1000110.6R200 L210 H211 E212R200-F203 PolarHBondContact O-N 2.89Å; F203-L210 HydrophobicContact CB-CD2 4.03Å; F203-L210 WeakPolarHBondContact O-CA 3.43Å; F203-H211 PolarHBondContact O-N 2.85Å; F203-E212 WeakPolarHBondContact CD1-OE1 3.47Å
204F90.2Very high89.8Confident74 Ų7494.2 Ų94.233%0.32549%0.49SS..BIsolated β-bridgetrans-96132-177.8-67.5-90.9000112.8R200 S209 L210R200-F204 HydrophobicContact CG-CB 3.86Å; R200-F204 HydrophobicContact CG-CD2 3.68Å; R200-F204 HydrophobicContact CG-CG 4Å; R200-F204 VanDerWaalsContact CZ-CG 3.42Å; R200-F204 VanDerWaalsContact NH1-CD1 3.33Å; R200-F204 VanDerWaalsContact NH1-CD2 3.27Å; R200-F204 VanDerWaalsContact NH1-CE2 3.3Å; R200-F204 VanDerWaalsContact NH1-CG 3.27Å; R200-F204 VanDerWaalsContact NH1-CZ 3.34Å; R200-F204 VanDerWaalsContact NH2-CD1 3.26Å; R200-F204 PolarHBondContact O-N 3.03Å; F204-S209 CarbonylContact C-O 3.58Å; F204-S209 WeakPolarHBondContact CA-O 3.42Å; F204-S209 WeakPolarHBondContact CD1-O 3.29Å; F204-L210 HydrophobicContact CD1-CD2 3.73Å; F204-L210 HydrophobicContact CD1-CG 4.15Å; F204-L210 HydrophobicContact CD2-CD2 4.01Å; F204-L210 HydrophobicContact CE1-CD2 3.6Å; F204-L210 HydrophobicContact CE1-CG 3.89Å; F204-L210 HydrophobicContact CE2-CD2 3.88Å; F204-L210 HydrophobicContact CG-CD2 3.96Å; F204-L210 HydrophobicContact CZ-CD2 3.68Å; F204-L210 HydrophobicContact CZ-CG 4.32Å
205S87.6Confident89.8Confident42 Ų4293.4 Ų93.429%0.29449%0.487SS..  trans-65.9169.7169.1-65.10000112.4D207 G208 S209S205-D207 VanDerWaalsContact C-N 3.32Å; S205-D207 WeakPolarHBondContact CB-OD1 3.48Å; S205-D207 PolarHBondContact O-N 3.02Å; S205-G208 PolarHBondContact O-N 3.02Å; S205-G208 VanDerWaalsContact O-N 3.16Å; S205-S209 VanDerWaalsContact CB-OG 3.25Å; S205-S209 WeakPolarHBondContact CB-OG 3.48Å; S205-S209 PolarHBondContact N-O 2.94Å; S205-S209 PolarHBondContact OG-OG 2.84Å
206S85.4Confident90Very high139 Ų13996.3 Ų96.397%0.97250%0.495SS*.SBendtrans-71.2-23-175.350.50000114.6
207D86.8Confident90.2Very high130 Ų13096.7 Ų96.770%0.69549%0.494SS*.SBendtrans-81.6-26.2170.165-23000112.8S205 S209S205-D207 VanDerWaalsContact C-N 3.32Å; S205-D207 WeakPolarHBondContact CB-OD1 3.48Å; S205-D207 PolarHBondContact O-N 3.02Å; D207-S209 PolarHBondContact OD1-N 2.81Å
208G84.9Confident90.6Very high32 Ų3292.4 Ų92.433%0.3349%0.486SS..SBendtrans110.77.1-175.800000115.6S205S205-G208 PolarHBondContact O-N 3.02Å; S205-G208 VanDerWaalsContact O-N 3.16Å
209S90.1Very high90.7Very high29 Ų2991.6 Ų91.620%0.20349%0.486CS..  trans-61.6167.6167.696.90000111.5F204 S205 D207 D214F204-S209 CarbonylContact C-O 3.58Å; F204-S209 WeakPolarHBondContact CA-O 3.42Å; F204-S209 WeakPolarHBondContact CD1-O 3.29Å; S205-S209 VanDerWaalsContact CB-OG 3.25Å; S205-S209 WeakPolarHBondContact CB-OG 3.48Å; S205-S209 PolarHBondContact N-O 2.94Å; S205-S209 PolarHBondContact OG-OG 2.84Å; D207-S209 PolarHBondContact OD1-N 2.81Å; S209-D214 WeakPolarHBondContact CB-OD2 3.42Å; S209-D214 PolarHBondContact OG-OD2 3.08Å
210L91.7Very high91Very high68 Ų6891.4 Ų91.436%0.35649%0.488SS..BIsolated β-bridgetrans-102.3125.1164.8-79.6172.7000108.6F203 F204 E212 V213 D214F203-L210 HydrophobicContact CB-CD2 4.03Å; F203-L210 WeakPolarHBondContact O-CA 3.43Å; F204-L210 HydrophobicContact CD1-CD2 3.73Å; F204-L210 HydrophobicContact CD1-CG 4.15Å; F204-L210 HydrophobicContact CD2-CD2 4.01Å; F204-L210 HydrophobicContact CE1-CD2 3.6Å; F204-L210 HydrophobicContact CE1-CG 3.89Å; F204-L210 HydrophobicContact CE2-CD2 3.88Å; F204-L210 HydrophobicContact CG-CD2 3.96Å; F204-L210 HydrophobicContact CZ-CD2 3.68Å; F204-L210 HydrophobicContact CZ-CG 4.32Å; L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.77Å; L210-V213 HydrophobicContact CB-CB 4.42Å; L210-V213 HydrophobicContact CB-CG2 3.89Å; L210-V213 HydrophobicContact CD1-CG2 4.49Å; L210-V213 WeakPolarHBondContact O-CB 3.28Å; L210-V213 PolarHBondContact O-N 3.15Å; L210-V213 VanDerWaalsContact O-N 3.08Å; L210-D214 PolarHBondContact O-N 2.83Å
211H89.6Confident91.4Very high97 Ų9789.6 Ų89.645%0.44949%0.486SS..Hα-helixtrans-56.6-40.8-176-172.4-88.1000112.1F203 V213 D214 E215F203-H211 PolarHBondContact O-N 2.85Å; H211-V213 PolarHBondContact O-N 3Å; H211-D214 PolarHBondContact O-N 2.96Å; H211-E215 IonicContact CE1-OE1 3.37Å; H211-E215 PolarHBondContact CE1-OE1 2.86Å; H211-E215 IonicContact CE1-OE2 3.32Å; H211-E215 PolarHBondContact CE1-OE2 2.95Å; H211-E215 VanDerWaalsContact CE1-OE2 3.32Å; H211-E215 IonicContact ND1-OE1 3.72Å; H211-E215 IonicContact ND1-OE2 2.79Å; H211-E215 PolarHBondContact ND1-OE2 3.28Å; H211-E215 PolarHBondContact O-N 3.13Å
212E92.2Very high91.8Very high70 Ų7088.5 Ų88.533%0.32748%0.478SS..Hα-helixtrans-66.3-27.1-177.8-55.987.6165.100112.5F203 L210 I216F203-E212 WeakPolarHBondContact CD1-OE1 3.47Å; L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.77Å; E212-I216 WeakPolarHBondContact O-CB 3.43Å; E212-I216 WeakPolarHBondContact O-CD1 3.44Å; E212-I216 WeakPolarHBondContact O-CG1 3.27Å; E212-I216 PolarHBondContact O-N 2.85Å
213V92Very high92.2Very high90 Ų9087 Ų8755%0.54548%0.477SS..Hα-helixtrans-72.2-43176176.60000110.2L210 H211 N217L210-V213 HydrophobicContact CB-CB 4.42Å; L210-V213 HydrophobicContact CB-CG2 3.89Å; L210-V213 HydrophobicContact CD1-CG2 4.49Å; L210-V213 WeakPolarHBondContact O-CB 3.28Å; L210-V213 PolarHBondContact O-N 3.15Å; L210-V213 VanDerWaalsContact O-N 3.08Å; H211-V213 PolarHBondContact O-N 3Å; V213-N217 WeakPolarHBondContact O-CB 3.31Å; V213-N217 PolarHBondContact O-N 3.46Å
214D91.1Very high92.6Very high75 Ų7588.1 Ų88.140%0.40148%0.483SS..Hα-helixtrans-66.7-42.7177.9-62.6-43.7000110.5S209 L210 H211 N217 D218S209-D214 WeakPolarHBondContact CB-OD2 3.42Å; S209-D214 PolarHBondContact OG-OD2 3.08Å; L210-D214 PolarHBondContact O-N 2.83Å; H211-D214 PolarHBondContact O-N 2.96Å; D214-N217 PolarHBondContact O-N 3.47Å; D214-D218 PolarHBondContact O-N 3.04Å
215E92.6Very high93Very high112 Ų11286.2 Ų86.252%0.52349%0.485SS..Hα-helixtrans-61.6-47.1174.4-74.2-178.4119.100113.6H211 N217 D218 M219H211-E215 IonicContact CE1-OE1 3.37Å; H211-E215 PolarHBondContact CE1-OE1 2.86Å; H211-E215 IonicContact CE1-OE2 3.32Å; H211-E215 PolarHBondContact CE1-OE2 2.95Å; H211-E215 VanDerWaalsContact CE1-OE2 3.32Å; H211-E215 IonicContact ND1-OE1 3.72Å; H211-E215 IonicContact ND1-OE2 2.79Å; H211-E215 PolarHBondContact ND1-OE2 3.28Å; H211-E215 PolarHBondContact O-N 3.13Å; E215-N217 VanDerWaalsContact C-N 3.31Å; E215-N217 PolarHBondContact O-N 3.28Å; E215-D218 PolarHBondContact O-N 2.88Å; E215-M219 WeakPolarHBondContact O-CB 3.36Å; E215-M219 PolarHBondContact O-N 2.87Å
216I94.8Very high93.5Very high108 Ų10890.4 Ų90.455%0.55450%0.499SS*.Hα-helixtrans-66.1-37.4178.5-70.7167.9000110.5E212 N220E212-I216 WeakPolarHBondContact O-CB 3.43Å; E212-I216 WeakPolarHBondContact O-CD1 3.44Å; E212-I216 WeakPolarHBondContact O-CG1 3.27Å; E212-I216 PolarHBondContact O-N 2.85Å; I216-N220 WeakPolarHBondContact O-CB 3.26Å; I216-N220 PolarHBondContact O-N 2.62Å
217N95.4Very high94.1Very high78 Ų7889 Ų8942%0.41748%0.48SS..Hα-helixtrans-63.9-45.4175.4-173.961.1000111.4V213 D214 E215 N220 N221V213-N217 WeakPolarHBondContact O-CB 3.31Å; V213-N217 PolarHBondContact O-N 3.46Å; D214-N217 PolarHBondContact O-N 3.47Å; E215-N217 VanDerWaalsContact C-N 3.31Å; E215-N217 PolarHBondContact O-N 3.28Å; N217-N220 CarbonylContact O-C 3.59Å; N217-N220 PolarHBondContact O-N 3.16Å; N217-N221 PolarHBondContact ND2-ND2 3.04Å; N217-N221 VanDerWaalsContact ND2-ND2 3.13Å; N217-N221 WeakPolarHBondContact O-CB 3.23Å; N217-N221 PolarHBondContact O-N 3.47Å; N217-N221 PolarHBondContact O-ND2 3.01Å
218D96.2Very high94.6Very high101 Ų10189.6 Ų89.654%0.5448%0.477SS..Hα-helixtrans-67.9-35178.2-83.7-6.5000113.4D214 E215 N221 S222D214-D218 PolarHBondContact O-N 3.04Å; E215-D218 PolarHBondContact O-N 2.88Å; D218-N221 PolarHBondContact OD1-ND2 3.43Å; D218-S222 WeakPolarHBondContact O-CB 3.38Å; D218-S222 PolarHBondContact O-N 3.09Å; D218-S222 PolarHBondContact O-OG 3.14Å
219M97.2Very high95.2Very high127 Ų12792.3 Ų92.363%0.62648%0.482SS*.Hα-helixtrans-60.6-45.4168.6-179.1-178.864.300111.4E215 S222 L223E215-M219 WeakPolarHBondContact O-CB 3.36Å; E215-M219 PolarHBondContact O-N 2.87Å; M219-S222 PolarHBondContact O-N 3Å; M219-L223 PolarHBondContact O-N 3.2Å
220N97.1Very high95.6Very high87 Ų8793 Ų9347%0.46549%0.49SS..Hα-helixtrans-67.6-40.8178.4-179.460.2000112.6I216 N217 S222 L223 Q224I216-N220 WeakPolarHBondContact O-CB 3.26Å; I216-N220 PolarHBondContact O-N 2.62Å; N217-N220 CarbonylContact O-C 3.59Å; N217-N220 PolarHBondContact O-N 3.16Å; N220-S222 VanDerWaalsContact C-N 3.31Å; N220-S222 PolarHBondContact O-N 2.78Å; N220-L223 PolarHBondContact O-N 2.91Å; N220-Q224 WeakPolarHBondContact O-CB 3.31Å; N220-Q224 PolarHBondContact O-N 3.39Å
221N97.7Very high95.9Very high66 Ų6693.3 Ų93.335%0.35350%0.497SS..Hα-helixtrans-59.4-42.5173.9-69-34.1000111.1N217 D218 Q224 G225N217-N221 PolarHBondContact ND2-ND2 3.04Å; N217-N221 VanDerWaalsContact ND2-ND2 3.13Å; N217-N221 WeakPolarHBondContact O-CB 3.23Å; N217-N221 PolarHBondContact O-N 3.47Å; N217-N221 PolarHBondContact O-ND2 3.01Å; D218-N221 PolarHBondContact OD1-ND2 3.43Å; N221-Q224 PolarHBondContact O-N 3.32Å; N221-G225 PolarHBondContact O-N 3.3Å
222S97.7Very high96.2Very high81 Ų8193.4 Ų93.457%0.56650%0.496SS*.Hα-helixtrans-63.5-46.5176.4-58.60000111.6D218 M219 N220 Q224 G225 E226D218-S222 WeakPolarHBondContact O-CB 3.38Å; D218-S222 PolarHBondContact O-N 3.09Å; D218-S222 PolarHBondContact O-OG 3.14Å; M219-S222 PolarHBondContact O-N 3Å; N220-S222 VanDerWaalsContact C-N 3.31Å; N220-S222 PolarHBondContact O-N 2.78Å; S222-Q224 PolarHBondContact O-N 3.08Å; S222-G225 PolarHBondContact O-N 3.39Å; S222-E226 PolarHBondContact O-N 2.77Å
223L97.6Very high96.5Very high120 Ų12096.3 Ų96.363%0.62851%0.507SS*.Hα-helixtrans-62.5-40.7176-179.561.3000112.3M219 N220 G225 E226 L227M219-L223 PolarHBondContact O-N 3.2Å; N220-L223 PolarHBondContact O-N 2.91Å; L223-G225 VanDerWaalsContact C-N 3.32Å; L223-G225 PolarHBondContact O-N 3.12Å; L223-E226 PolarHBondContact O-N 3.18Å; L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.43Å
224Q97.8Very high96.8Very high124 Ų12495.8 Ų95.858%0.57950%0.504SS*.Hα-helixtrans-66.5-34.3175.5-165.7-17648.100111.8N220 N221 S222 K228N220-Q224 WeakPolarHBondContact O-CB 3.31Å; N220-Q224 PolarHBondContact O-N 3.39Å; N221-Q224 PolarHBondContact O-N 3.32Å; S222-Q224 PolarHBondContact O-N 3.08Å; Q224-K228 VanDerWaalsContact O-CB 3.29Å; Q224-K228 WeakPolarHBondContact O-CB 3.34Å; Q224-K228 PolarHBondContact O-N 3.3Å
225G97.9Very high97.1Very high34 Ų3496.6 Ų96.635%0.35151%0.506SS..Hα-helixtrans-60.3-51.5171.900000112.5N221 S222 L223 K228 M229N221-G225 PolarHBondContact O-N 3.3Å; S222-G225 PolarHBondContact O-N 3.39Å; L223-G225 VanDerWaalsContact C-N 3.32Å; L223-G225 PolarHBondContact O-N 3.12Å; G225-K228 PolarHBondContact O-N 3.09Å; G225-M229 WeakPolarHBondContact O-CG 3.34Å; G225-M229 PolarHBondContact O-N 2.72Å
226E97.5Very high97.4Very high130 Ų13096.9 Ų96.961%0.60751%0.507SS*.Hα-helixtrans-63-43176-76.3-58.8148.800112.3S222 L223 K228 M229 A230S222-E226 PolarHBondContact O-N 2.77Å; L223-E226 PolarHBondContact O-N 3.18Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 3.49Å; E226-M229 CarbonylContact O-C 3.58Å; E226-M229 PolarHBondContact O-N 2.77Å; E226-M229 VanDerWaalsContact O-N 3.08Å; E226-A230 PolarHBondContact O-N 3.07Å
227L97.8Very high97.5Very high109 Ų10994.1 Ų94.157%0.57150%0.497SS*.Hα-helixtrans-57.7-44.5174.8-179.661.4000111.5L223 M229 A230 C231L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.43Å; L227-M229 VanDerWaalsContact C-N 3.28Å; L227-M229 PolarHBondContact O-N 3.4Å; L227-A230 WeakPolarHBondContact O-CB 3.45Å; L227-A230 PolarHBondContact O-N 2.83Å; L227-C231 PolarHBondContact O-N 3.38Å; L227-C231 PolarHBondContact O-SG 3.02Å
228K97.8Very high97.5Very high144 Ų14496 Ų9663%0.62650%0.504SS*.Hα-helixtrans-64.2-31.5176.6-171.3172.9-173.71720112.7Q224 G225 E226 K232Q224-K228 VanDerWaalsContact O-CB 3.29Å; Q224-K228 WeakPolarHBondContact O-CB 3.34Å; Q224-K228 PolarHBondContact O-N 3.3Å; G225-K228 PolarHBondContact O-N 3.09Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 3.49Å; K228-K232 PolarHBondContact O-N 3.33Å
229M97.6Very high97.6Very high88 Ų8898.3 Ų98.343%0.43351%0.505SS..Hα-helixtrans-76.7-31.8173.5-70.9-59.1-74.300112.8G225 E226 L227 K232 K233G225-M229 WeakPolarHBondContact O-CG 3.34Å; G225-M229 PolarHBondContact O-N 2.72Å; E226-M229 CarbonylContact O-C 3.58Å; E226-M229 PolarHBondContact O-N 2.77Å; E226-M229 VanDerWaalsContact O-N 3.08Å; L227-M229 VanDerWaalsContact C-N 3.28Å; L227-M229 PolarHBondContact O-N 3.4Å; M229-K232 HydrophobicContact SD-CD 4.17Å; M229-K233 WeakPolarHBondContact O-CG 3.3Å; M229-K233 PolarHBondContact O-N 2.86Å
230A97.6Very high97.6Very high45 Ų4597.6 Ų97.637%0.37250%0.503SS..Hα-helixtrans-67-46.4170.400000111.6E226 L227 K232 K233 V234E226-A230 PolarHBondContact O-N 3.07Å; L227-A230 WeakPolarHBondContact O-CB 3.45Å; L227-A230 PolarHBondContact O-N 2.83Å; A230-K232 VanDerWaalsContact C-N 3.31Å; A230-K232 PolarHBondContact O-N 3.4Å; A230-K233 PolarHBondContact O-N 3.14Å; A230-K233 VanDerWaalsContact O-N 3.11Å; A230-V234 WeakPolarHBondContact O-CG2 3.43Å; A230-V234 PolarHBondContact O-N 3.43Å
231C97.8Very high97.6Very high73 Ų7396.7 Ų96.749%0.49350%0.501SS..Hα-helixtrans-55.6-42.4178.6-68.40000112.9L227 V234 E235L227-C231 PolarHBondContact O-N 3.38Å; L227-C231 PolarHBondContact O-SG 3.02Å; C231-V234 PolarHBondContact O-N 3.49Å; C231-E235 PolarHBondContact O-N 2.74Å
232K97.8Very high97.5Very high100 Ų100100 Ų10044%0.43551%0.514SS..Hα-helixtrans-60.8-46.4175.3-72.5175.5176.7-178.40112.8K228 M229 A230 V234 E235 E236K228-K232 PolarHBondContact O-N 3.33Å; M229-K232 HydrophobicContact SD-CD 4.17Å; A230-K232 VanDerWaalsContact C-N 3.31Å; A230-K232 PolarHBondContact O-N 3.4Å; K232-V234 VanDerWaalsContact C-N 3.26Å; K232-V234 PolarHBondContact O-N 3.13Å; K232-E235 PolarHBondContact O-N 3.4Å; K232-E236 WeakPolarHBondContact O-CB 3.4Å; K232-E236 WeakPolarHBondContact O-CG 3.49Å; K232-E236 PolarHBondContact O-N 3.24Å
233K98.1Very high97.5Very high131 Ų131102.4 Ų102.457%0.5751%0.514SS*.Hα-helixtrans-62-36.9178.2-67.7168-176.8170.80111.3M229 A230 S237M229-K233 WeakPolarHBondContact O-CG 3.3Å; M229-K233 PolarHBondContact O-N 2.86Å; A230-K233 PolarHBondContact O-N 3.14Å; A230-K233 VanDerWaalsContact O-N 3.11Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 2.99Å; K233-S237 PolarHBondContact O-OG 2.77Å
234V97.4Very high97.5Very high79 Ų79101.8 Ų101.848%0.47951%0.511SS..Hα-helixtrans-66.3-50.9173.9175.50000110.5A230 C231 K232 E236 S237 E238A230-V234 WeakPolarHBondContact O-CG2 3.43Å; A230-V234 PolarHBondContact O-N 3.43Å; C231-V234 PolarHBondContact O-N 3.49Å; K232-V234 VanDerWaalsContact C-N 3.26Å; K232-V234 PolarHBondContact O-N 3.13Å; V234-E236 VanDerWaalsContact C-N 3.32Å; V234-E236 PolarHBondContact O-N 3.17Å; V234-S237 WeakPolarHBondContact CA-OG 3.28Å; V234-S237 CarbonylContact O-C 3.54Å; V234-S237 PolarHBondContact O-N 3.32Å; V234-S237 PolarHBondContact O-OG 3.24Å; V234-E238 HydrophobicContact CG1-CG 4.17Å; V234-E238 WeakPolarHBondContact O-CG 3.22Å; V234-E238 PolarHBondContact O-N 2.82Å
235E97.8Very high97.4Very high92 Ų92101.2 Ų101.243%0.4351%0.511SS..Hα-helixtrans-53.4-46.2176-176.6-166.6160.400112.4C231 K232 R239C231-E235 PolarHBondContact O-N 2.74Å; K232-E235 PolarHBondContact O-N 3.4Å; E235-R239 WeakPolarHBondContact O-CG 3.29Å; E235-R239 PolarHBondContact O-N 2.69Å; E235-R239 IonicContact OE1-CZ 3.22Å; E235-R239 IonicContact OE1-NH1 3.54Å; E235-R239 PolarHBondContact OE1-NH1 2.73Å; E235-R239 IonicContact OE1-NH2 3.69Å; E235-R239 PolarHBondContact OE1-NH2 2.84Å
236E97.9Very high97.3Very high117 Ų117101.9 Ų101.955%0.54751%0.513SS..Hα-helixtrans-62.4-41.3175.5-72.4167.8-169.900111.7K232 V234 L240K232-E236 WeakPolarHBondContact O-CB 3.4Å; K232-E236 WeakPolarHBondContact O-CG 3.49Å; K232-E236 PolarHBondContact O-N 3.24Å; V234-E236 VanDerWaalsContact C-N 3.32Å; V234-E236 PolarHBondContact O-N 3.17Å; E236-L240 WeakPolarHBondContact O-CG 3.38Å; E236-L240 PolarHBondContact O-N 2.77Å
237S97.6Very high97.4Very high51 Ų5199 Ų9936%0.35750%0.502SS..Hα-helixtrans-71-38.8178.972.30000113.7K233 V234 L240 V241K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 2.99Å; K233-S237 PolarHBondContact O-OG 2.77Å; V234-S237 WeakPolarHBondContact CA-OG 3.28Å; V234-S237 CarbonylContact O-C 3.54Å; V234-S237 PolarHBondContact O-N 3.32Å; V234-S237 PolarHBondContact O-OG 3.24Å; S237-L240 WeakPolarHBondContact O-CB 3.22Å; S237-L240 PolarHBondContact O-N 3.25Å; S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 3.37Å
238E96.6Very high97.3Very high118 Ų11896.9 Ų96.955%0.55149%0.493SS*.Hα-helixtrans-65.1-42177.5-70.8-61.6149.900110.8V234 L240 V241 E242V234-E238 HydrophobicContact CG1-CG 4.17Å; V234-E238 WeakPolarHBondContact O-CG 3.22Å; V234-E238 PolarHBondContact O-N 2.82Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 2.79Å; E238-V241 PolarHBondContact O-N 2.88Å; E238-V241 VanDerWaalsContact O-N 3.15Å; E238-E242 WeakPolarHBondContact O-CB 3.33Å; E238-E242 PolarHBondContact O-N 3.48Å
239R97.5Very high97.2Very high148 Ų14892.8 Ų92.856%0.55848%0.483SS*.Hα-helixtrans-61.3-34.6172.8-74.3179.2174.6145.511.2113.3E235 K243E235-R239 WeakPolarHBondContact O-CG 3.29Å; E235-R239 PolarHBondContact O-N 2.69Å; E235-R239 IonicContact OE1-CZ 3.22Å; E235-R239 IonicContact OE1-NH1 3.54Å; E235-R239 PolarHBondContact OE1-NH1 2.73Å; E235-R239 IonicContact OE1-NH2 3.69Å; E235-R239 PolarHBondContact OE1-NH2 2.84Å; R239-K243 PolarHBondContact O-N 3.3Å
240L97.9Very high97.2Very high112 Ų11291.8 Ų91.859%0.58648%0.48SS*.Hα-helixtrans-71.3-38.9174.5-71.1169.8000111.4E236 S237 E238 L244E236-L240 WeakPolarHBondContact O-CG 3.38Å; E236-L240 PolarHBondContact O-N 2.77Å; S237-L240 WeakPolarHBondContact O-CB 3.22Å; S237-L240 PolarHBondContact O-N 3.25Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 2.79Å; L240-L244 WeakPolarHBondContact O-CB 3.24Å; L240-L244 VanDerWaalsContact O-CG 3.24Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.04Å
241V96.4Very high97.2Very high69 Ų6994.5 Ų94.542%0.41849%0.487SS..Hα-helixtrans-66.2-45.5175169.90000111.2S237 E238 K243 L244 L245S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 3.37Å; E238-V241 PolarHBondContact O-N 2.88Å; E238-V241 VanDerWaalsContact O-N 3.15Å; V241-K243 PolarHBondContact O-N 2.98Å; V241-L244 PolarHBondContact O-N 2.97Å; V241-L245 HydrophobicContact CG1-CD1 3.78Å; V241-L245 HydrophobicContact CG1-CG 4.21Å; V241-L245 WeakPolarHBondContact O-CB 3.03Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.49Å; V241-L245 PolarHBondContact O-N 3.42Å
242E96.1Very high97.1Very high136 Ų13699.2 Ų99.264%0.63650%0.495SS*.Hα-helixtrans-52.2-52.5174.3179.5-176.6-160.100111E238 L244 L245 A246E238-E242 WeakPolarHBondContact O-CB 3.33Å; E238-E242 PolarHBondContact O-N 3.48Å; E242-L244 PolarHBondContact O-N 3.01Å; E242-L245 PolarHBondContact O-N 2.89Å; E242-A246 PolarHBondContact O-N 2.98Å
243K97.9Very high97Very high130 Ų130100.6 Ų100.657%0.56550%0.497SS*.Hα-helixtrans-60.5-46.7177.3-173.7-175173.5-173.90112.2R239 V241 L245 A246 D247R239-K243 PolarHBondContact O-N 3.3Å; V241-K243 PolarHBondContact O-N 2.98Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 3.16Å; K243-A246 WeakPolarHBondContact O-CB 3.47Å; K243-A246 PolarHBondContact O-N 3.17Å; K243-D247 PolarHBondContact O-N 2.92Å
244L97.7Very high96.8Very high107 Ų10798.3 Ų98.356%0.5649%0.49SS*.Hα-helixtrans-65.1-32.5-179.8-73.3169.2000112.4L240 V241 E242 V248L240-L244 WeakPolarHBondContact O-CB 3.24Å; L240-L244 VanDerWaalsContact O-CG 3.24Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.04Å; V241-L244 PolarHBondContact O-N 2.97Å; E242-L244 PolarHBondContact O-N 3.01Å; L244-V248 VanDerWaalsContact O-CB 3.3Å; L244-V248 WeakPolarHBondContact O-CB 3.44Å; L244-V248 WeakPolarHBondContact O-CG2 3.33Å; L244-V248 PolarHBondContact O-N 3.3Å
245L95.3Very high96.8Very high113 Ų11398.2 Ų98.259%0.59249%0.489SS*.Hα-helixtrans-69.4-40.3173.4-72.5172.3000111.5V241 E242 K243 V248 S249V241-L245 HydrophobicContact CG1-CD1 3.78Å; V241-L245 HydrophobicContact CG1-CG 4.21Å; V241-L245 WeakPolarHBondContact O-CB 3.03Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.49Å; V241-L245 PolarHBondContact O-N 3.42Å; E242-L245 PolarHBondContact O-N 2.89Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 3.16Å; L245-V248 PolarHBondContact O-N 2.86Å; L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 3.15Å
246A96.3Very high96.6Very high48 Ų4898.2 Ų98.240%0.39749%0.492SS..Hα-helixtrans-60.3-53.5172.200000111.3E242 K243 V248 S249 D250E242-A246 PolarHBondContact O-N 2.98Å; K243-A246 WeakPolarHBondContact O-CB 3.47Å; K243-A246 PolarHBondContact O-N 3.17Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.28Å; A246-S249 WeakPolarHBondContact O-CA 3.41Å; A246-S249 PolarHBondContact O-N 2.92Å; A246-S249 PolarHBondContact O-OG 3.29Å; A246-D250 PolarHBondContact O-N 2.84Å
247D97.7Very high96.4Very high70 Ų7096.2 Ų96.237%0.37449%0.485SS..Hα-helixtrans-55-43.9177.9-70.7-25.2000111.2K243 L251K243-D247 PolarHBondContact O-N 2.92Å; D247-L251 WeakPolarHBondContact O-CB 3.23Å; D247-L251 WeakPolarHBondContact O-CD1 3.46Å; D247-L251 VanDerWaalsContact O-CG 3.25Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.39Å
248V96.9Very high96.2Very high63 Ų63101.5 Ų101.538%0.38250%0.497SS..Hα-helixtrans-68.4-33.5176.2167.60000112.6L244 L245 A246 R252L244-V248 VanDerWaalsContact O-CB 3.3Å; L244-V248 WeakPolarHBondContact O-CB 3.44Å; L244-V248 WeakPolarHBondContact O-CG2 3.33Å; L244-V248 PolarHBondContact O-N 3.3Å; L245-V248 PolarHBondContact O-N 2.86Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.28Å; V248-R252 WeakPolarHBondContact O-CB 3.38Å; V248-R252 WeakPolarHBondContact O-CG 3.08Å; V248-R252 PolarHBondContact O-N 3.2Å
249S95.6Very high96Very high59 Ų59102 Ų10241%0.41350%0.497SS..Hα-helixtrans-69.3-41.1176.679.90000112L245 A246 R252 R253L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 3.15Å; A246-S249 WeakPolarHBondContact O-CA 3.41Å; A246-S249 PolarHBondContact O-N 2.92Å; A246-S249 PolarHBondContact O-OG 3.29Å; S249-R252 PolarHBondContact O-N 3.02Å; S249-R253 PolarHBondContact O-N 3.43Å
250D97.1Very high95.5Very high67 Ų67100.9 Ų100.936%0.35850%0.499SS..Hα-helixtrans-66.6-42.8176.3-81.8-8.1000111.8A246 R252 R253 M254A246-D250 PolarHBondContact O-N 2.84Å; D250-R252 VanDerWaalsContact C-N 3.34Å; D250-R252 PolarHBondContact O-N 3Å; D250-R253 PolarHBondContact O-N 2.9Å; D250-R253 IonicContact OD1-CZ 2.69Å; D250-R253 IonicContact OD1-NH1 2.75Å; D250-R253 PolarHBondContact OD1-NH1 3.2Å; D250-R253 IonicContact OD1-NH2 3.46Å; D250-R253 PolarHBondContact OD1-NH2 3.46Å; D250-R253 IonicContact OD2-NH2 3.34Å; D250-M254 PolarHBondContact O-N 3.32Å
251L97.3Very high94.9Very high101 Ų101100.9 Ų100.953%0.52950%0.495SS..Hα-helixtrans-60.6-41172.4-74.5166.6000112.1D247 M254 V255D247-L251 WeakPolarHBondContact O-CB 3.23Å; D247-L251 WeakPolarHBondContact O-CD1 3.46Å; D247-L251 VanDerWaalsContact O-CG 3.25Å; D247-L251 WeakPolarHBondContact O-CG 3.42Å; D247-L251 PolarHBondContact O-N 3.39Å; L251-M254 HydrophobicContact CD2-CE 4.01Å; L251-M254 HydrophobicContact CG-CE 4.49Å; L251-V255 WeakPolarHBondContact O-CB 3.5Å; L251-V255 VanDerWaalsContact O-CG2 3.24Å; L251-V255 WeakPolarHBondContact O-CG2 3.25Å; L251-V255 PolarHBondContact O-N 3.48Å
252R95.8Very high94Very high173 Ų173103.2 Ų103.265%0.65351%0.505SS*.Hα-helixtrans-65.3-39.6175.6-77.3171.1-177.8-165.33.6112.3V248 S249 D250 V255 N256V248-R252 WeakPolarHBondContact O-CB 3.38Å; V248-R252 WeakPolarHBondContact O-CG 3.08Å; V248-R252 PolarHBondContact O-N 3.2Å; S249-R252 PolarHBondContact O-N 3.02Å; D250-R252 VanDerWaalsContact C-N 3.34Å; D250-R252 PolarHBondContact O-N 3Å; R252-V255 PolarHBondContact O-N 2.8Å; R252-N256 PolarHBondContact O-N 3.42Å; R252-N256 VanDerWaalsContact O-N 3.08Å
253R95.4Very high92.8Very high128 Ų12898.5 Ų98.548%0.48349%0.493SS..Hα-helixtrans-60.1-58.3174.6-172.8173.363.5-104.8-3.9110.3S249 D250 V255 N256 D257S249-R253 PolarHBondContact O-N 3.43Å; D250-R253 PolarHBondContact O-N 2.9Å; D250-R253 IonicContact OD1-CZ 2.69Å; D250-R253 IonicContact OD1-NH1 2.75Å; D250-R253 PolarHBondContact OD1-NH1 3.2Å; D250-R253 IonicContact OD1-NH2 3.46Å; D250-R253 PolarHBondContact OD1-NH2 3.46Å; D250-R253 IonicContact OD2-NH2 3.34Å; R253-V255 PolarHBondContact O-N 2.92Å; R253-V255 VanDerWaalsContact O-N 3.09Å; R253-N256 WeakPolarHBondContact O-CA 3.3Å; R253-N256 WeakPolarHBondContact O-CB 3.2Å; R253-N256 PolarHBondContact O-N 2.77Å; R253-D257 VanDerWaalsContact C-OD2 3.32Å; R253-D257 PolarHBondContact O-N 2.84Å
254M95.6Very high91Very high84 Ų8497.5 Ų97.541%0.41449%0.49SS..Hα-helixtrans-56.8-31.3178.9-69-174.2-72.200114.3D250 L251 D257 R258D250-M254 PolarHBondContact O-N 3.32Å; L251-M254 HydrophobicContact CD2-CE 4.01Å; L251-M254 HydrophobicContact CG-CE 4.49Å; M254-D257 WeakPolarHBondContact CA-OD2 3.44Å; M254-R258 WeakPolarHBondContact O-CB 3.42Å; M254-R258 WeakPolarHBondContact O-CG 3.29Å; M254-R258 PolarHBondContact O-N 3.36Å
255V96Very high89.1Confident76 Ų7698 Ų9846%0.46149%0.492SS..Hα-helixtrans-74.2-30.6174.8165.20000112.4L251 R252 R253 K259L251-V255 WeakPolarHBondContact O-CB 3.5Å; L251-V255 VanDerWaalsContact O-CG2 3.24Å; L251-V255 WeakPolarHBondContact O-CG2 3.25Å; L251-V255 PolarHBondContact O-N 3.48Å; R252-V255 PolarHBondContact O-N 2.8Å; R253-V255 PolarHBondContact O-N 2.92Å; R253-V255 VanDerWaalsContact O-N 3.09Å; V255-K259 HydrophobicContact CG1-CD 4.46Å; V255-K259 WeakPolarHBondContact O-CD 3.29Å; V255-K259 WeakPolarHBondContact O-CG 3.36Å; V255-K259 PolarHBondContact O-N 3.19Å
256N94.8Very high87.2Confident93 Ų9396.8 Ų96.850%0.49749%0.493SS..Hα-helixtrans-78.1-44.2174.4-71.4-13000111.2R252 R253 R258 K259 Q260R252-N256 PolarHBondContact O-N 3.42Å; R252-N256 VanDerWaalsContact O-N 3.08Å; R253-N256 WeakPolarHBondContact O-CA 3.3Å; R253-N256 WeakPolarHBondContact O-CB 3.2Å; R253-N256 PolarHBondContact O-N 2.77Å; N256-R258 PolarHBondContact O-N 3.33Å; N256-K259 WeakPolarHBondContact O-CB 3.15Å; N256-K259 PolarHBondContact O-N 3.25Å; N256-Q260 PolarHBondContact O-N 3.02Å
257D93.9Very high85.1Confident74 Ų7497.7 Ų97.740%0.39650%0.501SS..Hα-helixtrans-54-52177.6-50.7-25.8000110.2R253 M254 K259 Q260 E261R253-D257 VanDerWaalsContact C-OD2 3.32Å; R253-D257 PolarHBondContact O-N 2.84Å; M254-D257 WeakPolarHBondContact CA-OD2 3.44Å; D257-K259 VanDerWaalsContact C-N 3.3Å; D257-K259 PolarHBondContact O-N 3.2Å; D257-Q260 WeakPolarHBondContact O-CB 3.3Å; D257-Q260 PolarHBondContact O-N 3.2Å; D257-E261 WeakPolarHBondContact O-CG 3.24Å; D257-E261 PolarHBondContact O-N 3.17Å
258R92.6Very high82.6Confident163 Ų163100.4 Ų100.462%0.61552%0.515SS*.Hα-helixtrans-63.1-29.4176.6-71.8177.3-179178.43114.7M254 N256 E261 L262M254-R258 WeakPolarHBondContact O-CB 3.42Å; M254-R258 WeakPolarHBondContact O-CG 3.29Å; M254-R258 PolarHBondContact O-N 3.36Å; N256-R258 PolarHBondContact O-N 3.33Å; R258-E261 WeakPolarHBondContact CA-OE2 3.25Å; R258-L262 WeakPolarHBondContact O-CB 3.42Å; R258-L262 WeakPolarHBondContact O-CD1 3.35Å; R258-L262 VanDerWaalsContact O-CG 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.32Å; R258-L262 PolarHBondContact O-N 3.24Å
259K91.8Very high80.1Confident128 Ų128100.6 Ų100.656%0.55753%0.529SS*.Hα-helixtrans-71.5-35.4173.7-78.4168.3-174.7171.10111.2V255 N256 D257 G263V255-K259 HydrophobicContact CG1-CD 4.46Å; V255-K259 WeakPolarHBondContact O-CD 3.29Å; V255-K259 WeakPolarHBondContact O-CG 3.36Å; V255-K259 PolarHBondContact O-N 3.19Å; N256-K259 WeakPolarHBondContact O-CB 3.15Å; N256-K259 PolarHBondContact O-N 3.25Å; D257-K259 VanDerWaalsContact C-N 3.3Å; D257-K259 PolarHBondContact O-N 3.2Å; K259-G263 PolarHBondContact O-N 2.89Å
260Q87.6Confident77.4Confident125 Ų125101 Ų10158%0.58454%0.537SS*.Hα-helixtrans-68.7-47.1174.7-176.9171.3-21.100110.4N256 D257 L262 G263 E264N256-Q260 PolarHBondContact O-N 3.02Å; D257-Q260 WeakPolarHBondContact O-CB 3.3Å; D257-Q260 PolarHBondContact O-N 3.2Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.3Å; Q260-G263 CarbonylContact O-C 3.56Å; Q260-G263 WeakPolarHBondContact O-CA 3.4Å; Q260-G263 PolarHBondContact O-N 3.01Å; Q260-E264 HydrophobicContact CG-CG 4.44Å; Q260-E264 VanDerWaalsContact CG-OE1 3.24Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.47Å; Q260-E264 PolarHBondContact NE2-OE1 3.37Å; Q260-E264 WeakPolarHBondContact O-CG 3.43Å; Q260-E264 PolarHBondContact O-N 3.38Å
261E85Confident74.7Confident111 Ų111102.4 Ų102.452%0.51955%0.552SS.*Hα-helixtrans-52.1-47.2172.4-67.7171164.200111.8D257 R258 G263 E264 I265D257-E261 WeakPolarHBondContact O-CG 3.24Å; D257-E261 PolarHBondContact O-N 3.17Å; R258-E261 WeakPolarHBondContact CA-OE2 3.25Å; E261-G263 PolarHBondContact O-N 3.44Å; E261-E264 PolarHBondContact O-N 3.31Å; E261-I265 WeakPolarHBondContact O-CB 3.46Å; E261-I265 WeakPolarHBondContact O-CD1 3.45Å; E261-I265 WeakPolarHBondContact O-CG1 3.44Å; E261-I265 PolarHBondContact O-N 2.83Å
262L78.8Confident72.3Confident118 Ų118102.7 Ų102.762%0.61856%0.558SS**Hα-helixtrans-67.4-31.7176.9-75.9165.4000113.5R258 Q260 S266R258-L262 WeakPolarHBondContact O-CB 3.42Å; R258-L262 WeakPolarHBondContact O-CD1 3.35Å; R258-L262 VanDerWaalsContact O-CG 3.29Å; R258-L262 WeakPolarHBondContact O-CG 3.32Å; R258-L262 PolarHBondContact O-N 3.24Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.3Å; L262-S266 WeakPolarHBondContact O-CB 3.4Å; L262-S266 PolarHBondContact O-N 3.11Å; L262-S266 VanDerWaalsContact O-N 3.16Å; L262-S266 PolarHBondContact O-OG 3.45Å
263G69.9Low69.7Low37 Ų3799.9 Ų99.938%0.38156%0.562SS.*Hα-helixtrans-68.8-40.7172.800000112.4K259 Q260 E261 S266 A267K259-G263 PolarHBondContact O-N 2.89Å; Q260-G263 CarbonylContact O-C 3.56Å; Q260-G263 WeakPolarHBondContact O-CA 3.4Å; Q260-G263 PolarHBondContact O-N 3.01Å; E261-G263 PolarHBondContact O-N 3.44Å; G263-S266 WeakPolarHBondContact CA-OG 3.35Å; G263-S266 PolarHBondContact O-N 3.29Å; G263-S266 PolarHBondContact O-OG 2.9Å; G263-S266 VanDerWaalsContact O-OG 3.13Å; G263-A267 PolarHBondContact O-N 3.26Å; G263-A267 VanDerWaalsContact O-N 3.08Å
264E59.9Low67.3Low110 Ų11098.5 Ų98.551%0.51458%0.578SS.*Hα-helixtrans-70.3-43.3177.8-70.7171.8-169.100111Q260 E261 S266 A267 D268Q260-E264 HydrophobicContact CG-CG 4.44Å; Q260-E264 VanDerWaalsContact CG-OE1 3.24Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.47Å; Q260-E264 PolarHBondContact NE2-OE1 3.37Å; Q260-E264 WeakPolarHBondContact O-CG 3.43Å; Q260-E264 PolarHBondContact O-N 3.38Å; E261-E264 PolarHBondContact O-N 3.31Å; E264-S266 VanDerWaalsContact C-N 3.28Å; E264-S266 PolarHBondContact O-N 2.9Å; E264-A267 PolarHBondContact O-N 3.08Å; E264-A267 VanDerWaalsContact O-N 3.1Å; E264-D268 WeakPolarHBondContact O-CB 3.38Å; E264-D268 PolarHBondContact O-N 3.17Å
265I58.3Low65.2Low118 Ų118102.6 Ų102.661%0.60560%0.596SS**Hα-helixtrans-59.8-37173.8-69.2163.1000112E261 G269E261-I265 WeakPolarHBondContact O-CB 3.46Å; E261-I265 WeakPolarHBondContact O-CD1 3.45Å; E261-I265 WeakPolarHBondContact O-CG1 3.44Å; E261-I265 PolarHBondContact O-N 2.83Å; I265-G269 PolarHBondContact O-N 2.99Å; I265-G269 VanDerWaalsContact O-N 3.15Å
266S55.3Low63.2Low86 Ų86103.3 Ų103.360%0.60160%0.602SS**Hα-helixtrans-80-15.5177.750.80000114.1L262 G263 E264L262-S266 WeakPolarHBondContact O-CB 3.4Å; L262-S266 PolarHBondContact O-N 3.11Å; L262-S266 VanDerWaalsContact O-N 3.16Å; L262-S266 PolarHBondContact O-OG 3.45Å; G263-S266 WeakPolarHBondContact CA-OG 3.35Å; G263-S266 PolarHBondContact O-N 3.29Å; G263-S266 PolarHBondContact O-OG 2.9Å; G263-S266 VanDerWaalsContact O-OG 3.13Å; E264-S266 VanDerWaalsContact C-N 3.28Å; E264-S266 PolarHBondContact O-N 2.9Å
267A51.4Low61.6Low68 Ų68108.4 Ų108.456%0.56262%0.623SS**Hα-helixtrans-83.6-44.8167.700000112.1G263 E264 G269 A270G263-A267 PolarHBondContact O-N 3.26Å; G263-A267 VanDerWaalsContact O-N 3.08Å; E264-A267 PolarHBondContact O-N 3.08Å; E264-A267 VanDerWaalsContact O-N 3.1Å; A267-G269 VanDerWaalsContact C-N 3.34Å; A267-G269 PolarHBondContact O-N 3.38Å; A267-A270 VanDerWaalsContact O-CB 3.29Å; A267-A270 WeakPolarHBondContact O-CB 3.49Å; A267-A270 PolarHBondContact O-N 3.08Å
268D46.3Very low60.3Low127 Ų127108.3 Ų108.368%0.67962%0.62SS**Hα-helixtrans-69.9-33.2-176.5-155.739.7000111.9E264 A270 S271E264-D268 WeakPolarHBondContact O-CB 3.38Å; E264-D268 PolarHBondContact O-N 3.17Å; D268-A270 PolarHBondContact O-N 2.97Å; D268-S271 WeakPolarHBondContact O-CB 3.34Å; D268-S271 PolarHBondContact O-N 3.49Å; D268-S271 PolarHBondContact O-OG 2.84Å
269G42.9Very low59.4Low66 Ų66104.7 Ų104.768%0.6861%0.613SS**THydrogen-bonded Turntrans-65.4-9.2168.500000115.1I265 A267I265-G269 PolarHBondContact O-N 2.99Å; I265-G269 VanDerWaalsContact O-N 3.15Å; A267-G269 VanDerWaalsContact C-N 3.34Å; A267-G269 PolarHBondContact O-N 3.38Å
270A39.9Very low58.7Low68 Ų68100.9 Ų100.956%0.56260%0.6SS**THydrogen-bonded Turntrans-92.711.217500000113.4A267 D268 T272A267-A270 VanDerWaalsContact O-CB 3.29Å; A267-A270 WeakPolarHBondContact O-CB 3.49Å; A267-A270 PolarHBondContact O-N 3.08Å; D268-A270 PolarHBondContact O-N 2.97Å; A270-T272 PolarHBondContact O-N 3.42Å
271S40.9Very low58Low97 Ų97100 Ų10068%0.67860%0.599SS**  trans-68.540.517553.40000114.8D268D268-S271 WeakPolarHBondContact O-CB 3.34Å; D268-S271 PolarHBondContact O-N 3.49Å; D268-S271 PolarHBondContact O-OG 2.84Å
272T45.9Very low57.6Low106 Ų10698.4 Ų98.465%0.6559%0.594SS**  trans-59.5133.2161.7-530000107.8A270 A274A270-T272 PolarHBondContact O-N 3.42Å; T272-A274 PolarHBondContact O-N 3.41Å; T272-A274 VanDerWaalsContact O-N 3.09Å
273P41.7Very low57.4Low115 Ų11593.1 Ų93.175%0.74757%0.566SS**  trans-56122.7179.622.9-33.9000109.3Q275P273-Q275 PolarHBondContact O-N 2.92Å
274A45Very low57.7Low98 Ų9892.4 Ų92.481%0.8155%0.553SS**  trans-54.3111.2-165.300000111.3T272T272-A274 PolarHBondContact O-N 3.41Å; T272-A274 VanDerWaalsContact O-N 3.09Å
275Q50.5Low58.5Low171 Ų17188.5 Ų88.580%0.79954%0.537SS*.  trans-56.7135.5163.9-71.3-178.3-24.200107.3P273 Q277P273-Q275 PolarHBondContact O-N 2.92Å; Q275-Q277 PolarHBondContact O-N 3.49Å; Q275-Q277 VanDerWaalsContact O-N 3.17Å
276P54.3Low59.3Low91 Ų9184.4 Ų84.459%0.59152%0.516SS*.  trans-56.4127.4-179.424.2-33.4000108.5E278P276-E278 VanDerWaalsContact C-N 3.26Å; P276-E278 PolarHBondContact O-N 3.44Å
277Q60.9Low60.3Low200 Ų20082.1 Ų82.194%0.93550%0.495SS*.  trans-70.885.9-174.9-169.7176.11300109.3Q275 N279Q275-Q277 PolarHBondContact O-N 3.49Å; Q275-Q277 VanDerWaalsContact O-N 3.17Å; Q277-N279 PolarHBondContact O-N 2.94Å
278E66.3Low61.4Low72 Ų7281.8 Ų81.834%0.33649%0.486SS..  trans-57.4137.7-173.1-63.1-167147.400111.1P276 V280 C313P276-E278 VanDerWaalsContact C-N 3.26Å; P276-E278 PolarHBondContact O-N 3.44Å; E278-V280 PolarHBondContact O-N 3.38Å; E278-C313 WeakPolarHBondContact OE2-CA 3.48Å; E278-C313 WeakPolarHBondContact OE2-CB 3.33Å; E278-C313 PolarHBondContact OE2-SG 3.29Å
279N73.9Confident62.7Low86 Ų8678.8 Ų78.846%0.4647%0.47SS..  trans-75.784.1171.5-174.9-21.3000108.8Q277 L281 L282 C283Q277-N279 PolarHBondContact O-N 2.94Å; N279-L281 PolarHBondContact O-N 2.92Å; N279-L281 VanDerWaalsContact O-N 3.16Å; N279-L281 PolarHBondContact OD1-N 3.2Å; N279-L282 HydrophobicContact CB-CB 3.92Å; N279-L282 CarbonylContact O-C 3.55Å; N279-L282 WeakPolarHBondContact O-CA 3.39Å; N279-L282 WeakPolarHBondContact O-CB 3.45Å; N279-L282 PolarHBondContact O-N 2.82Å; N279-L282 PolarHBondContact OD1-N 3.39Å; N279-C283 PolarHBondContact O-N 3.06Å; N279-C283 PolarHBondContact O-SG 3.29Å
280V77.8Confident64.2Low49 Ų4980.3 Ų80.330%0.29746%0.458SS..Hα-helixtrans-46.2-43.9-177.7168.70000112.7E278 C283 E284 H317 I319E278-V280 PolarHBondContact O-N 3.38Å; V280-C283 PolarHBondContact O-N 3.05Å; V280-E284 WeakPolarHBondContact O-CB 3.33Å; V280-E284 PolarHBondContact O-N 3.31Å; V280-H317 HydrophobicContact CG1-CB 3.66Å; V280-H317 VanDerWaalsContact CG1-CG 3.44Å; V280-I319 HydrophobicContact CG1-CD1 3.68Å
281L73.1Confident65.7Low106 Ų10682.3 Ų82.356%0.55547%0.465SS*.Hα-helixtrans-64-43.4177.8-72.5167.7000111.9N279 V285 I319N279-L281 PolarHBondContact O-N 2.92Å; N279-L281 VanDerWaalsContact O-N 3.16Å; N279-L281 PolarHBondContact OD1-N 3.2Å; L281-V285 WeakPolarHBondContact O-CB 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 2.68Å; L281-I319 HydrophobicContact CD2-CD1 3.89Å; L281-I319 HydrophobicContact CD2-CG2 4.16Å
282L75.6Confident66.8Low77 Ų7781.6 Ų81.640%0.40347%0.473SS..Hα-helixtrans-68-40.8177.1-176.562.7000111.8N279 E284 I286N279-L282 HydrophobicContact CB-CB 3.92Å; N279-L282 CarbonylContact O-C 3.55Å; N279-L282 WeakPolarHBondContact O-CA 3.39Å; N279-L282 WeakPolarHBondContact O-CB 3.45Å; N279-L282 PolarHBondContact O-N 2.82Å; N279-L282 PolarHBondContact OD1-N 3.39Å; L282-E284 PolarHBondContact O-N 3.01Å; L282-I286 HydrophobicContact CD1-CD1 3.86Å; L282-I286 HydrophobicContact CD1-CG1 4.25Å; L282-I286 HydrophobicContact CG-CD1 3.84Å; L282-I286 WeakPolarHBondContact O-CB 3.17Å; L282-I286 VanDerWaalsContact O-CG1 3.23Å; L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.03Å
283C75.4Confident68.1Low7 Ų778.1 Ų78.15%0.04746%0.455CS..Hα-helixtrans-55.3-51.2175.1-64.60000111.1N279 V280 I286 K287 Q299 C313N279-C283 PolarHBondContact O-N 3.06Å; N279-C283 PolarHBondContact O-SG 3.29Å; V280-C283 PolarHBondContact O-N 3.05Å; C283-I286 PolarHBondContact O-N 2.96Å; C283-K287 WeakPolarHBondContact O-CG 3.41Å; C283-K287 PolarHBondContact O-N 3.47Å; C283-Q299 PolarHBondContact SG-NE2 3.25Å; C283-C313 HydrophobicContact CB-CB 3.57Å; C283-C313 WeakPolarHBondContact SG-CB 3.46Å
284E75.9Confident69.3Low22 Ų2276 Ų7610%0.10344%0.443CS..Hα-helixtrans-73.3-35.4-173.8-151.256.5-118.200111.9V280 L282 I286 K287 T288 H317 I319 I321V280-E284 WeakPolarHBondContact O-CB 3.33Å; V280-E284 PolarHBondContact O-N 3.31Å; L282-E284 PolarHBondContact O-N 3.01Å; E284-I286 VanDerWaalsContact C-N 3.35Å; E284-I286 PolarHBondContact O-N 3.37Å; E284-K287 PolarHBondContact O-N 2.89Å; E284-K287 VanDerWaalsContact OE1-CD 3.29Å; E284-K287 WeakPolarHBondContact OE1-CD 3.49Å; E284-K287 IonicContact OE1-NZ 2.62Å; E284-K287 IonicContact OE2-NZ 3.77Å; E284-K287 PolarHBondContact OE2-NZ 2.96Å; E284-T288 WeakPolarHBondContact O-CG2 3.47Å; E284-T288 PolarHBondContact O-N 3.37Å; E284-T288 PolarHBondContact O-OG1 3.05Å; E284-H317 IonicContact OE2-CD2 3.95Å; E284-I319 HydrophobicContact CG-CB 4.5Å; E284-I321 HydrophobicContact CB-CD1 3.7Å; E284-I321 HydrophobicContact CG-CD1 3.64Å; E284-I321 VanDerWaalsContact O-CD1 3.23Å; E284-I321 WeakPolarHBondContact O-CD1 3.2Å
285V76.1Confident70.3Confident29 Ų2976.3 Ų76.318%0.17643%0.43CS..Hα-helixtrans-62.1-39.9170.7168.40000111.8L281 T288 L289 I321 L325L281-V285 WeakPolarHBondContact O-CB 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 2.68Å; V285-T288 WeakPolarHBondContact CA-OG1 3.46Å; V285-T288 PolarHBondContact O-OG1 3.3Å; V285-T288 VanDerWaalsContact O-OG1 3.06Å; V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.49Å; V285-L289 WeakPolarHBondContact O-CB 3.41Å; V285-L289 VanDerWaalsContact O-CG 3.27Å; V285-L289 WeakPolarHBondContact O-CG 3.33Å; V285-L289 PolarHBondContact O-N 3.08Å; V285-L289 VanDerWaalsContact O-N 3.09Å; V285-I321 HydrophobicContact CG2-CD1 4.1Å; V285-I321 HydrophobicContact CG2-CG1 4Å; V285-I321 HydrophobicContact CG2-CG2 3.99Å; V285-L325 HydrophobicContact CG1-CD1 4.1Å; V285-L325 HydrophobicContact CG2-CD1 3.81Å
286I76.8Confident71.2Confident32 Ų3272.9 Ų72.916%0.16442%0.417CS..Hα-helixtrans-71.9-39.4178.9-66.6169.3000111.2L282 C283 E284 L289 F290 L296 Q297L282-I286 HydrophobicContact CD1-CD1 3.86Å; L282-I286 HydrophobicContact CD1-CG1 4.25Å; L282-I286 HydrophobicContact CG-CD1 3.84Å; L282-I286 WeakPolarHBondContact O-CB 3.17Å; L282-I286 VanDerWaalsContact O-CG1 3.23Å; L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.03Å; C283-I286 PolarHBondContact O-N 2.96Å; E284-I286 VanDerWaalsContact C-N 3.35Å; E284-I286 PolarHBondContact O-N 3.37Å; I286-L289 PolarHBondContact O-N 3.32Å; I286-F290 HydrophobicContact CG2-CD2 4.39Å; I286-F290 PolarHBondContact O-N 2.79Å; I286-L296 WeakPolarHBondContact CG2-O 3.39Å; I286-Q297 HydrophobicContact CG2-CB 4.48Å; I286-Q297 HydrophobicContact CG2-CG 4.26Å
287K74.9Confident71.9Confident37 Ų3770.8 Ų70.816%0.16140%0.399CS..Hα-helixtrans-57.9-47.9172.9-70.7168.8-164.5163.40111.9C283 E284 F290 P291 C313 T315C283-K287 WeakPolarHBondContact O-CG 3.41Å; C283-K287 PolarHBondContact O-N 3.47Å; E284-K287 PolarHBondContact O-N 2.89Å; E284-K287 VanDerWaalsContact OE1-CD 3.29Å; E284-K287 WeakPolarHBondContact OE1-CD 3.49Å; E284-K287 IonicContact OE1-NZ 2.62Å; E284-K287 IonicContact OE2-NZ 3.77Å; E284-K287 PolarHBondContact OE2-NZ 2.96Å; K287-F290 CarbonylContact O-C 3.43Å; K287-F290 PolarHBondContact O-N 3.49Å; K287-P291 VanDerWaalsContact O-CA 3.29Å; K287-P291 WeakPolarHBondContact O-CA 3.29Å; K287-P291 WeakPolarHBondContact O-CD 3.2Å; K287-P291 VanDerWaalsContact O-N 3.11Å; K287-C313 WeakPolarHBondContact CE-O 3.37Å; K287-C313 PolarHBondContact NZ-O 2.78Å; K287-C313 PolarHBondContact NZ-SG 2.94Å; K287-T315 PolarHBondContact NZ-O 3.38Å
288T74.8Confident72.4Confident61 Ų6162.1 Ų62.137%0.37436%0.36SS..Hα-helixtrans-69.8-32.2-177.749.60000113.4E284 V285 I321E284-T288 WeakPolarHBondContact O-CG2 3.47Å; E284-T288 PolarHBondContact O-N 3.37Å; E284-T288 PolarHBondContact O-OG1 3.05Å; V285-T288 WeakPolarHBondContact CA-OG1 3.46Å; V285-T288 PolarHBondContact O-OG1 3.3Å; V285-T288 VanDerWaalsContact O-OG1 3.06Å; T288-I321 HydrophobicContact CG2-CD1 3.76Å
289L74.5Confident72.4Confident65 Ų6562.8 Ų62.834%0.3436%0.363SS..Hα-helixtrans-77.8-33.5174.1-68.7173.5000113.3V285 I286 P291 I328 L329V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.49Å; V285-L289 WeakPolarHBondContact O-CB 3.41Å; V285-L289 VanDerWaalsContact O-CG 3.27Å; V285-L289 WeakPolarHBondContact O-CG 3.33Å; V285-L289 PolarHBondContact O-N 3.08Å; V285-L289 VanDerWaalsContact O-N 3.09Å; I286-L289 PolarHBondContact O-N 3.32Å; L289-P291 VanDerWaalsContact C-CD 3.49Å; L289-I328 HydrophobicContact CD2-CG2 3.86Å; L289-L329 HydrophobicContact CD2-CD2 4.25Å
290F74.1Confident72.3Confident98 Ų9859.9 Ų59.943%0.4335%0.351SS..  trans-131.159-174.1-57.9-73.7000113.4I286 K287 G292 A293 L296 Q297I286-F290 HydrophobicContact CG2-CD2 4.39Å; I286-F290 PolarHBondContact O-N 2.79Å; K287-F290 CarbonylContact O-C 3.43Å; K287-F290 PolarHBondContact O-N 3.49Å; F290-G292 PolarHBondContact O-N 2.98Å; F290-A293 HydrophobicContact CB-CB 4.41Å; F290-A293 PolarHBondContact O-N 3.37Å; F290-L296 HydrophobicContact CD1-CD1 4.04Å; F290-L296 HydrophobicContact CE1-CD1 4.4Å; F290-L296 HydrophobicContact CG-CD1 4.29Å; F290-Q297 PolarHBondContact O-NE2 3.45Å
291P71.4Confident72.3Confident109 Ų10963 Ų6371%0.70837%0.365SS*.THydrogen-bonded Turntrans-66.7-13.6-171.826.2-36.1000114.8K287 L289K287-P291 VanDerWaalsContact O-CA 3.29Å; K287-P291 WeakPolarHBondContact O-CA 3.29Å; K287-P291 WeakPolarHBondContact O-CD 3.2Å; K287-P291 VanDerWaalsContact O-N 3.11Å; L289-P291 VanDerWaalsContact C-CD 3.49Å
292G64.7Low72.5Confident82 Ų8260.4 Ų60.485%0.84535%0.352SS*.THydrogen-bonded Turntrans-110.57.4-179.900000115.6F290F290-G292 PolarHBondContact O-N 2.98Å
293A73.1Confident72.5Confident33 Ų3367.6 Ų67.627%0.27338%0.381SS..  trans-129.180.1-172.400000112.1F290 L295 L296 Q297F290-A293 HydrophobicContact CB-CB 4.41Å; F290-A293 PolarHBondContact O-N 3.37Å; A293-L295 PolarHBondContact O-N 2.75Å; A293-L296 HydrophobicContact CB-CB 4.23Å; A293-L296 HydrophobicContact CB-CD1 3.9Å; A293-L296 HydrophobicContact CB-CG 4.07Å; A293-L296 PolarHBondContact O-N 3.33Å; A293-Q297 PolarHBondContact O-N 2.98Å
294S65.6Low72.6Confident70 Ų7074.8 Ų74.849%0.4941%0.414SS..G310 helixtrans-55.3-33.6-18051.90000114.1L296 Q297S294-L296 PolarHBondContact O-N 3.35Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.14Å
295L67.2Low72.4Confident105 Ų10576.2 Ų76.255%0.5543%0.434SS..G310 helixtrans-68.2-10.9175-64.6173.5000114.5A293 P307 P309A293-L295 PolarHBondContact O-N 2.75Å; L295-P307 HydrophobicContact CB-CG 4.4Å; L295-P307 HydrophobicContact CD2-CG 4.25Å; L295-P309 HydrophobicContact CD2-CG 4.06Å
296L68.5Low72.4Confident99 Ų9980.8 Ų80.852%0.51845%0.452SS..G310 helixtrans-104.1-6.7173.8-60.3-179.3000112.6I286 F290 A293 S294I286-L296 WeakPolarHBondContact CG2-O 3.39Å; F290-L296 HydrophobicContact CD1-CD1 4.04Å; F290-L296 HydrophobicContact CE1-CD1 4.4Å; F290-L296 HydrophobicContact CG-CD1 4.29Å; A293-L296 HydrophobicContact CB-CB 4.23Å; A293-L296 HydrophobicContact CB-CD1 3.9Å; A293-L296 HydrophobicContact CB-CG 4.07Å; A293-L296 PolarHBondContact O-N 3.33Å; S294-L296 PolarHBondContact O-N 3.35Å
297Q69.8Low72.3Confident47 Ų4781.3 Ų81.322%0.2246%0.457CS..SBendtrans-88-8.5-179.5-67.1169-3.400113I286 F290 A293 S294 C312I286-Q297 HydrophobicContact CG2-CB 4.48Å; I286-Q297 HydrophobicContact CG2-CG 4.26Å; F290-Q297 PolarHBondContact O-NE2 3.45Å; A293-Q297 PolarHBondContact O-N 2.98Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.14Å; Q297-C312 VanDerWaalsContact C-SG 3.56Å
298T70.3Confident72.2Confident18 Ų1881.9 Ų81.911%0.1146%0.462CS..  trans-78.5130.5-178.957.30000112.1P307 L308 C312T298-P307 HydrophobicContact CG2-CB 4.2Å; T298-P307 WeakPolarHBondContact OG1-CB 3.45Å; T298-L308 WeakPolarHBondContact CG2-O 3.41Å; T298-C312 WeakPolarHBondContact CG2-SG 3.2Å
299Q67.8Low71.7Confident86 Ų8682.4 Ų82.440%0.40247%0.466SS..SBendtrans-91.4-9.1168.9-64.5-17616.900113.1C283C283-Q299 PolarHBondContact SG-NE2 3.25Å
300A70.2Confident71.3Confident26 Ų2687.5 Ų87.522%0.21549%0.488CS..  trans-104138.9177.500000112.9L308 F311A300-L308 HydrophobicContact CB-CB 4.38Å; A300-L308 HydrophobicContact CB-CD1 4.49Å; A300-L308 PolarHBondContact O-N 3.1Å; A300-F311 HydrophobicContact CB-CB 3.65Å; A300-F311 HydrophobicContact CB-CD2 3.72Å; A300-F311 HydrophobicContact CB-CG 3.72Å
301L78.3Confident70.9Confident113 Ų11387.4 Ų87.459%0.59249%0.488SS*.BIsolated β-bridgetrans-114.5150.8168.1-56.6-179.6000109.5F306 P307L301-F306 CarbonylContact C-O 3.55Å; L301-F306 VanDerWaalsContact CA-O 3.31Å; L301-F306 WeakPolarHBondContact CA-O 3.44Å; L301-P307 HydrophobicContact CD2-CB 4.25Å
302N77.9Confident70.6Confident52 Ų5283.7 Ų83.728%0.27846%0.464SS..  trans-76.6168.1166.177.37.5000111.4Q304 G305 F306 L308N302-Q304 PolarHBondContact O-N 2.97Å; N302-Q304 WeakPolarHBondContact OD1-CA 3.46Å; N302-Q304 WeakPolarHBondContact OD1-CB 3.4Å; N302-Q304 PolarHBondContact OD1-N 3.18Å; N302-G305 PolarHBondContact O-N 3.26Å; N302-G305 PolarHBondContact OD1-N 3.2Å; N302-F306 PolarHBondContact N-O 2.68Å; N302-F306 PolarHBondContact OD1-N 3.47Å; N302-L308 HydrophobicContact CB-CD1 4.1Å; N302-L308 HydrophobicContact CB-CD2 4.15Å; N302-L308 HydrophobicContact CB-CG 4.21Å
303F76.1Confident70.8Confident229 Ų22980.4 Ų80.4100%1.00443%0.428SS*.THydrogen-bonded Turntrans-61.6-4.3178-69.9-77.7000115.2
304Q77.5Confident70.3Confident158 Ų15884.4 Ų84.474%0.73845%0.454SS*.THydrogen-bonded Turntrans-107.43175.9-63.7172.3-14.200112.4N302 F306N302-Q304 PolarHBondContact O-N 2.97Å; N302-Q304 WeakPolarHBondContact OD1-CA 3.46Å; N302-Q304 WeakPolarHBondContact OD1-CB 3.4Å; N302-Q304 PolarHBondContact OD1-N 3.18Å; Q304-F306 HydrophobicContact CB-CD2 3.88Å; Q304-F306 HydrophobicContact CB-CE2 4.04Å
305G71.2Confident70.3Confident51 Ų5184.6 Ų84.653%0.52645%0.452SS..SBendtrans88.67.717600000115.9N302N302-G305 PolarHBondContact O-N 3.26Å; N302-G305 PolarHBondContact OD1-N 3.2Å
306F75.9Confident70.1Confident126 Ų12686.1 Ų86.155%0.55346%0.461SS*.  trans-89140.4178.2-63-88000111.9L301 N302 Q304L301-F306 CarbonylContact C-O 3.55Å; L301-F306 VanDerWaalsContact CA-O 3.31Å; L301-F306 WeakPolarHBondContact CA-O 3.44Å; N302-F306 PolarHBondContact N-O 2.68Å; N302-F306 PolarHBondContact OD1-N 3.47Å; Q304-F306 HydrophobicContact CB-CD2 3.88Å; Q304-F306 HydrophobicContact CB-CE2 4.04Å
307P74.7Confident70.2Confident43 Ų4384.7 Ų84.728%0.27945%0.451SS..BIsolated β-bridgetrans-65.4145.917627.5-34.7000112.4L295 T298 L301 P309L295-P307 HydrophobicContact CB-CG 4.4Å; L295-P307 HydrophobicContact CD2-CG 4.25Å; T298-P307 HydrophobicContact CG2-CB 4.2Å; T298-P307 WeakPolarHBondContact OG1-CB 3.45Å; L301-P307 HydrophobicContact CD2-CB 4.25Å; P307-P309 WeakPolarHBondContact O-CD 3.48Å
308L72.2Confident70Confident49 Ų4985.7 Ų85.726%0.25747%0.474SS..  trans-113.299.8-178.9-69.2174.1000111.4T298 A300 N302 E310 F311T298-L308 WeakPolarHBondContact CG2-O 3.41Å; A300-L308 HydrophobicContact CB-CB 4.38Å; A300-L308 HydrophobicContact CB-CD1 4.49Å; A300-L308 PolarHBondContact O-N 3.1Å; N302-L308 HydrophobicContact CB-CD1 4.1Å; N302-L308 HydrophobicContact CB-CD2 4.15Å; N302-L308 HydrophobicContact CB-CG 4.21Å; L308-E310 PolarHBondContact O-N 3.13Å; L308-F311 HydrophobicContact CB-CD2 3.86Å; L308-F311 HydrophobicContact CB-CE2 4.39Å; L308-F311 HydrophobicContact CD1-CD2 4.29Å; L308-F311 HydrophobicContact CD1-CE2 4.14Å; L308-F311 PolarHBondContact O-N 3.4Å; L308-F311 VanDerWaalsContact O-N 3.11Å
309P65.6Low69.9Low71 Ų7187.6 Ų87.646%0.46148%0.483SS..G310 helixtrans-57.1-20-177.5-28.437.2000115.8L295 P307 F311 C312L295-P309 HydrophobicContact CD2-CG 4.06Å; P307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-F311 PolarHBondContact O-N 3.43Å; P309-C312 WeakPolarHBondContact O-CB 3.47Å; P309-C312 PolarHBondContact O-N 2.86Å
310E65.2Low69.9Low173 Ų17388.2 Ų88.281%0.80849%0.489SS*.G310 helixtrans-68-18.6179.3-65.3166.4-169.100112.8L308L308-E310 PolarHBondContact O-N 3.13Å
311F65.5Low69.7Low96 Ų9687.4 Ų87.442%0.42148%0.482SS..G310 helixtrans-108.439.7175.4-57.1-88.8000111.6A300 L308 P309A300-F311 HydrophobicContact CB-CB 3.65Å; A300-F311 HydrophobicContact CB-CD2 3.72Å; A300-F311 HydrophobicContact CB-CG 3.72Å; L308-F311 HydrophobicContact CB-CD2 3.86Å; L308-F311 HydrophobicContact CB-CE2 4.39Å; L308-F311 HydrophobicContact CD1-CD2 4.29Å; L308-F311 HydrophobicContact CD1-CE2 4.14Å; L308-F311 PolarHBondContact O-N 3.4Å; L308-F311 VanDerWaalsContact O-N 3.11Å; P309-F311 PolarHBondContact O-N 3.43Å
312C65.9Low68.9Low30 Ų3084.8 Ų84.820%0.20348%0.476CS..  trans-94.8116.7166.9-80.90000110.3Q297 T298 P309 S314Q297-C312 VanDerWaalsContact C-SG 3.56Å; T298-C312 WeakPolarHBondContact CG2-SG 3.2Å; P309-C312 WeakPolarHBondContact O-CB 3.47Å; P309-C312 PolarHBondContact O-N 2.86Å; C312-S314 PolarHBondContact O-N 3.1Å
313C67.4Low68.2Low13 Ų1387.1 Ų87.19%0.08849%0.492CS..  trans-49.5110.2165.3-178.20000110.7E278 C283 K287 H317E278-C313 WeakPolarHBondContact OE2-CA 3.48Å; E278-C313 WeakPolarHBondContact OE2-CB 3.33Å; E278-C313 PolarHBondContact OE2-SG 3.29Å; C283-C313 HydrophobicContact CB-CB 3.57Å; C283-C313 WeakPolarHBondContact SG-CB 3.46Å; K287-C313 WeakPolarHBondContact CE-O 3.37Å; K287-C313 PolarHBondContact NZ-O 2.78Å; K287-C313 PolarHBondContact NZ-SG 2.94Å; C313-H317 PolarHBondContact SG-NE2 2.99Å
314S63.1Low67.5Low118 Ų11880.5 Ų80.583%0.82547%0.471SS*.  trans-104.4-10-175.250.40000113.8C312C312-S314 PolarHBondContact O-N 3.1Å
315T65.1Low66.7Low74 Ų7476.1 Ų76.145%0.45445%0.452SS..SBendtrans-73.9139173.534.90000111.8K287 H317K287-T315 PolarHBondContact NZ-O 3.38Å; T315-H317 PolarHBondContact O-CD2 3.39Å; T315-H317 VanDerWaalsContact O-CD2 3.3Å; T315-H317 PolarHBondContact OG1-CE1 3.3Å; T315-H317 VanDerWaalsContact OG1-CE1 3.26Å; T315-H317 PolarHBondContact OG1-NE2 3.41Å
316D64.3Low66Low136 Ų13677.6 Ų77.673%0.72745%0.453SS*.  trans-80.4130.8162.2-178-4.5000108.5G318D316-G318 PolarHBondContact OD1-N 3.42Å
317H70.2Confident65.1Low69 Ų6978.7 Ų78.732%0.31946%0.463SS..  trans-106.40.2-179.5-64.3-82.5000113.9V280 E284 C313 T315 I319V280-H317 HydrophobicContact CG1-CB 3.66Å; V280-H317 VanDerWaalsContact CG1-CG 3.44Å; E284-H317 IonicContact OE2-CD2 3.95Å; C313-H317 PolarHBondContact SG-NE2 2.99Å; T315-H317 PolarHBondContact O-CD2 3.39Å; T315-H317 VanDerWaalsContact O-CD2 3.3Å; T315-H317 PolarHBondContact OG1-CE1 3.3Å; T315-H317 VanDerWaalsContact OG1-CE1 3.26Å; T315-H317 PolarHBondContact OG1-NE2 3.41Å; H317-I319 VanDerWaalsContact C-N 3.33Å; H317-I319 HydrophobicContact CB-CD1 4.22Å; H317-I319 HydrophobicContact CB-CG1 4.19Å; H317-I319 PolarHBondContact O-N 2.86Å
318G65.2Low64.3Low68 Ų6881 Ų8170%0.70147%0.472SS*.  trans6825174.200000115.3D316D316-G318 PolarHBondContact OD1-N 3.42Å
319I69.6Low63.4Low58 Ų5881.6 Ų81.630%0.29748%0.476SS..  trans-95.2114.2-175.1-55.6-179.3000110.7V280 L281 E284 H317 I321V280-I319 HydrophobicContact CG1-CD1 3.68Å; L281-I319 HydrophobicContact CD2-CD1 3.89Å; L281-I319 HydrophobicContact CD2-CG2 4.16Å; E284-I319 HydrophobicContact CG-CB 4.5Å; H317-I319 VanDerWaalsContact C-N 3.33Å; H317-I319 HydrophobicContact CB-CD1 4.22Å; H317-I319 HydrophobicContact CB-CG1 4.19Å; H317-I319 PolarHBondContact O-N 2.86Å; I319-I321 HydrophobicContact CG2-CG1 4.32Å; I319-I321 PolarHBondContact O-N 3.35Å
320D67.7Low62.6Low99 Ų9982 Ų8253%0.52948%0.48SS..  trans-77.386.9176.3-174.2-0.2000112.5A322 T323 T324D320-A322 PolarHBondContact O-N 3.16Å; D320-A322 VanDerWaalsContact OD1-CB 3.28Å; D320-A322 WeakPolarHBondContact OD1-CB 3.25Å; D320-A322 PolarHBondContact OD1-N 2.97Å; D320-T323 HydrophobicContact CB-CG2 4.46Å; D320-T323 PolarHBondContact O-N 3.01Å; D320-T323 PolarHBondContact O-OG1 2.91Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.33Å; D320-T324 PolarHBondContact O-OG1 3.3Å
321I65.1Low61.8Low10 Ų1081.6 Ų81.65%0.05148%0.478CS..Hα-helixtrans-63.4-21.6178.1-69.3147.3000113.4E284 V285 T288 I319 T323 T324 L325E284-I321 HydrophobicContact CB-CD1 3.7Å; E284-I321 HydrophobicContact CG-CD1 3.64Å; E284-I321 VanDerWaalsContact O-CD1 3.23Å; E284-I321 WeakPolarHBondContact O-CD1 3.2Å; V285-I321 HydrophobicContact CG2-CD1 4.1Å; V285-I321 HydrophobicContact CG2-CG1 4Å; V285-I321 HydrophobicContact CG2-CG2 3.99Å; T288-I321 HydrophobicContact CG2-CD1 3.76Å; I319-I321 HydrophobicContact CG2-CG1 4.32Å; I319-I321 PolarHBondContact O-N 3.35Å; I321-T323 PolarHBondContact O-N 3.02Å; I321-T324 WeakPolarHBondContact CA-OG1 3.01Å; I321-T324 PolarHBondContact O-N 3.38Å; I321-T324 VanDerWaalsContact O-N 3.14Å; I321-L325 HydrophobicContact CG2-CB 4.46Å; I321-L325 PolarHBondContact O-N 3.2Å
322A62.6Low60.7Low58 Ų5882 Ų8248%0.47949%0.488SS..Hα-helixtrans-65.3-26.117700000111.8D320 L329D320-A322 PolarHBondContact O-N 3.16Å; D320-A322 VanDerWaalsContact OD1-CB 3.28Å; D320-A322 WeakPolarHBondContact OD1-CB 3.25Å; D320-A322 PolarHBondContact OD1-N 2.97Å; A322-L329 HydrophobicContact CB-CD1 4.3Å
323T62.4Low59.2Low100 Ų10087.9 Ų87.961%0.61352%0.517SS*.Hα-helixtrans-80.2-34.3172.1680000113.2D320 I321D320-T323 HydrophobicContact CB-CG2 4.46Å; D320-T323 PolarHBondContact O-N 3.01Å; D320-T323 PolarHBondContact O-OG1 2.91Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.33Å; I321-T323 PolarHBondContact O-N 3.02Å
324T61Low57.5Low90 Ų9093 Ų9355%0.55255%0.55SS**Hα-helixtrans-89.3-27.4-1727.40000114D320 I321D320-T324 PolarHBondContact O-OG1 3.3Å; I321-T324 WeakPolarHBondContact CA-OG1 3.01Å; I321-T324 PolarHBondContact O-N 3.38Å; I321-T324 VanDerWaalsContact O-N 3.14Å
325L60.8Low56.1Low67 Ų6796.9 Ų96.935%0.35155%0.552SS.*  trans-130.259.6175.9-68.6172.6000113.8V285 I321 L327 I328V285-L325 HydrophobicContact CG1-CD1 4.1Å; V285-L325 HydrophobicContact CG2-CD1 3.81Å; I321-L325 HydrophobicContact CG2-CB 4.46Å; I321-L325 PolarHBondContact O-N 3.2Å; L325-L327 PolarHBondContact O-N 3.3Å; L325-L327 VanDerWaalsContact O-N 3.1Å; L325-I328 HydrophobicContact CD1-CD1 4.41Å; L325-I328 HydrophobicContact CD2-CD1 4.46Å; L325-I328 PolarHBondContact O-N 3.4Å
326P57.7Low54.5Low82 Ų8298.2 Ų98.253%0.53257%0.571SS.*THydrogen-bonded Turntrans-60.6-27.7-173.6-22.934000114.9
327L56.3Low52.9Low148 Ų148103.3 Ų103.378%0.77558%0.58SS**THydrogen-bonded Turntrans-72.8-36.7-173.8-72.1167000113.2L325 S330L325-L327 PolarHBondContact O-N 3.3Å; L325-L327 VanDerWaalsContact O-N 3.1Å; L327-S330 WeakPolarHBondContact O-CB 3.41Å; L327-S330 PolarHBondContact O-OG 3.43Å
328I56.5Low51.1Low91 Ų91110.1 Ų110.147%0.46761%0.608SS.*THydrogen-bonded Turntrans-76.1-42.3-172.8-58178.4000110.8L289 L325 S330L289-I328 HydrophobicContact CD2-CG2 3.86Å; L325-I328 HydrophobicContact CD1-CD1 4.41Å; L325-I328 HydrophobicContact CD2-CD1 4.46Å; L325-I328 PolarHBondContact O-N 3.4Å; I328-S330 PolarHBondContact O-N 3.36Å
329L53.6Low49.4Very low63 Ų63110.4 Ų110.433%0.3361%0.611SS.*G310 helixtrans-69.8-11.3179.2-69.1165.7000113.7L289 A322 H331 T332L289-L329 HydrophobicContact CD2-CD2 4.25Å; A322-L329 HydrophobicContact CB-CD1 4.3Å; L329-H331 PolarHBondContact O-N 2.88Å; L329-T332 PolarHBondContact O-OG1 3.02Å
330S49.7Very low47.5Very low80 Ų80119.3 Ų119.356%0.55964%0.641SS**G310 helixtrans-67.7-16.4-179.473.90000114.6L327 I328L327-S330 WeakPolarHBondContact O-CB 3.41Å; L327-S330 PolarHBondContact O-OG 3.43Å; I328-S330 PolarHBondContact O-N 3.36Å
331H47.2Very low45.7Very low164 Ų164123.4 Ų123.476%0.75966%0.662SS**G310 helixtrans-97.5-9.2-171.8-80.7-77.1000115.8L329L329-H331 PolarHBondContact O-N 2.88Å
332T43.3Very low44Very low103 Ų103126.7 Ų126.763%0.63270%0.699SS**  trans-106.539.2-165.245.40000115.4L329L329-T332 PolarHBondContact O-OG1 3.02Å
333L33.4Very low42.5Very low154 Ų154136.2 Ų136.281%0.80672%0.722SS**  trans-14094.4176.8-110.6170.8000115.1K335L333-K335 PolarHBondContact O-N 2.94Å; L333-K335 VanDerWaalsContact O-N 3.15Å
334P33.5Very low40.8Very low122 Ų122135.1 Ų135.179%0.79273%0.73SS**  trans-70.3105.2171.3-16.431.2000111.5A336P334-A336 PolarHBondContact O-N 2.92Å
335K33.2Very low39.3Very low199 Ų199135 Ų13587%0.86575%0.747SS**  trans-67.398.2176-77.1-177.6176.91740111.5L333 R337L333-K335 PolarHBondContact O-N 2.94Å; L333-K335 VanDerWaalsContact O-N 3.15Å; K335-R337 PolarHBondContact O-N 2.95Å
336A31Very low37.7Very low102 Ų102134.8 Ų134.884%0.84376%0.761SS**  trans-61.4102.917600000112.1P334 K338P334-A336 PolarHBondContact O-N 2.92Å; A336-K338 PolarHBondContact O-N 2.96Å
337R31.1Very low36.4Very low243 Ų243138.1 Ų138.192%0.91778%0.78SS**  trans-77.5111.5174.3-83.5-178.5163.3168.4-4.5110.8K335 G339K335-R337 PolarHBondContact O-N 2.95Å; R337-G339 PolarHBondContact O-N 3.22Å
338K32.8Very low35.2Very low211 Ų211135.4 Ų135.492%0.91777%0.774SS**  trans-59.8126.7162.8-77.7-179.6174.7175.30109.5A336A336-K338 PolarHBondContact O-N 2.96Å
339G28.6Very low33.8Very low74 Ų74140.9 Ų140.976%0.76379%0.788SS**  trans-79.3148.9175.900000113.1R337R337-G339 PolarHBondContact O-N 3.22Å
340R29.8Very low32.6Very low246 Ų246148.3 Ų148.393%0.92881%0.812SS**  trans-139.2146.3154.8-82.6-164.7169.8-153.7-2.7108.9
341L30.8Very low31.7Very low184 Ų184153.5 Ų153.596%0.96383%0.825SS**  trans-75.7144.2178.7-69.580.2000110.6
342G29.2Very low30.9Very low80 Ų80157.2 Ų157.283%0.82583%0.832SS**  trans-151.6133.9170.800000109.9
343R29.5Very low30.8Very low258 Ų258158 Ų15897%0.97484%0.839SS**  trans-81.4150.4-176.8-77.7171.3151.9-165.1-4.5112.3
344G27.5Very low30.5Very low76 Ų76158 Ų15878%0.78484%0.839SS**  121.9105.8127.200000118.1
345G28.9Very low30.2Very low88 Ų88162.4 Ų162.491%0.90784%0.84SS**  trans73.4148.8161.300000116.4
346G28.9Very low29.8Very low62 Ų62158.9 Ų158.964%0.63983%0.826SS**  cis160.1131.3-9.900000111.5
347T30Very low29.7Very low153 Ų153159.5 Ų159.594%0.93983%0.825SS**  trans63.7159.6176.971.60000115.1
348S29.8Very low29.5Very low91 Ų91152.4 Ų152.464%0.63681%0.812SS**  cis-157.4130.1-14145.50000112
349W27Very low29.3Very low205 Ų205150 Ų15078%0.77780%0.804SS**  trans52.5141.8143.9-65.975000124.6
350R29Very low29.6Very low219 Ų219153 Ų15383%0.82681%0.808SS**  trans91.8142.2144.9-80.5166.3-168-87.1-1.7121.5
351K30.3Very low30.3Very low189 Ų189146.4 Ų146.482%0.82280%0.796SS**  trans-103145-169.9-49.4162.6176.1175.70110
352R30.5Very low30.4Very low242 Ų242147.9 Ų147.991%0.91380%0.795SS**  trans55.5170.3136.7-70.3-171.7179.1-168.3-0.2117.9
353P41.8Very low30.4Very low120 Ų120155.2 Ų155.278%0.77980%0.798SS**  cis-135.5170.88.743-25.4000118.7
354L26.8Very low30.6Very low153 Ų153154.1 Ų154.180%0.80179%0.793SS**  trans-17.9133.4147.2-175.779.2000119.7
355R27.8Very low30.7Very low216 Ų216159.8 Ų159.882%0.81580%0.796SS**  169.5170125.8-95.6-162.7138.1-172.7-11.7111
356E25.4Very low30.7Very low124 Ų124158.6 Ų158.658%0.57978%0.784SS**  cis171.4133.1-40.4176164.6-129.600108.1
357S27.9Very low30.6Very low116 Ų116164.3 Ų164.381%0.81180%0.797SS**  trans61.3154.3179.156.60000117
358S28.2Very low30.6Very low94 Ų94163.5 Ų163.566%0.65779%0.786SS**  cis-154.6-154.7-6.640.40000108.3
359E28.4Very low30.6Very low161 Ų161167.7 Ų167.775%0.75280%0.795SS**  cis-159.979.27-153147.2-69.100115.9
360V34.1Very low30.7Very low137 Ų137166 Ų16683%0.8380%0.796SS**  trans66-165.3150.6-132.90000117.6
361P44.7Very low30.6Very low106 Ų106162.6 Ų162.669%0.68880%0.8SS**  -131.4-172.8-126.246.9-28.4000117.1
362K32.4Very low30.5Very low215 Ų215162.1 Ų162.194%0.93580%0.801SS**  trans-134.2137.5151.1-72.8-168.9177.5177.60113.2
363R30.2Very low30.4Very low235 Ų235159.4 Ų159.489%0.88780%0.798SS**  trans-113.5147172.2-87.4177.2158.1-175.8-5.9109.8
364R31.9Very low29.7Very low234 Ų234159.5 Ų159.588%0.88380%0.802SS**  165.6129127.2-89.5168.2-179.5-169.4-0.5107.8
365K31.5Very low29.8Very low195 Ų195160.9 Ų160.985%0.84881%0.809SS**  68.1117.563.3-168.1-172.8-175.1-167.80110.4
366G27.4Very low29.8Very low63 Ų63156.2 Ų156.265%0.64981%0.81SS**  cis111.21343.600000112.5
367M26.5Very low29.9Very low183 Ų183157.1 Ų157.190%0.90182%0.823SS**  trans-153.4168.2174.6-124.3173.583.800111.6
368L31.9Very low29.8Very low136 Ų136157.4 Ų157.471%0.71283%0.825SS**  trans-155.2147.2-168.1165.8145.6000107.3
369E28.3Very low29.6Very low178 Ų178156.2 Ų156.283%0.83283%0.828SS**  trans-166.1155.7148.6-116.7157.2-152.600112.2
370E29.8Very low29.8Very low169 Ų169153.8 Ų153.879%0.7983%0.829SS**  trans-123.4149.6179.2-57.6164.412800107.8
371T27Very low29.6Very low149 Ų149155.9 Ų155.991%0.91483%0.83SS**  trans-161.3160.6151.1-13.70000111.5
372E28.9Very low29Very low179 Ų179156.7 Ų156.784%0.83683%0.833SS**  trans-107.2176.7-169.9-55.6179.2113.100113.5
373E28.5Very low28.9Very low184 Ų184156.1 Ų156.186%0.8683%0.833SS**  trans47.2128.5158.2-64.4-160.1140.400122
374S26.7Very low28.9Very low123 Ų123153 Ų15386%0.8683%0.829SS**  -164.8148.7122.518.30000112.7
375L27.4Very low28.9Very low181 Ų181149.6 Ų149.695%0.94883%0.828SS**  trans-83.1145.3167.7-69.3159.9000110.1
376S28.2Very low28.9Very low119 Ų119147.3 Ų147.383%0.83283%0.825SS**  trans-152.2140163.261.70000112.2
377V27.1Very low29.1Very low142 Ų142152.1 Ų152.186%0.86183%0.834SS**  trans-107132.7178.5173.50000109.9
378S26Very low29.6Very low122 Ų122149 Ų14985%0.85383%0.827SS**  trans-166.4155159.3-79.10000110.3
379G25.3Very low29.4Very low70 Ų70147.2 Ų147.272%0.72283%0.832SS**  cis133.368.4-2.600000113.6
380S31.9Very low29.5Very low110 Ų110146.3 Ų146.377%0.76983%0.833SS**  trans-166.9105.1170.252.40000106.4
381E29.7Very low29.5Very low181 Ų181146.6 Ų146.685%0.84683%0.834SS**  65126.154.4-62.3-158.1157.500115
382T31.7Very low29.8Very low123 Ų123147.3 Ų147.376%0.75583%0.833SS**  trans50.6110.7165.659.20000119.4
383E31.8Very low29.7Very low202 Ų202142 Ų14294%0.94483%0.826SS**  -140.7122.1101.4-108.2171.2-173.400108.9
384E30.3Very low29.9Very low170 Ų170141.3 Ų141.379%0.79483%0.828SS**  trans-95.1137.9168.7-64.2-178125.500107.8
385D32Very low30.1Very low163 Ų163142.8 Ų142.887%0.87283%0.826SS**  trans-128129.7170.3-149.3-9.3000110.7
386L30.6Very low30.4Very low147 Ų147141.6 Ų141.677%0.7782%0.82SS**  trans-118110.8-160.3-75166000111.2
387I31.8Very low30.7Very low163 Ų163142.7 Ų142.784%0.83682%0.817SS**  trans-125.6133167.4-64.4-173.7000108.7
388P36.9Very low31Very low118 Ų118142.8 Ų142.877%0.76682%0.817SS**PPolyproline II helixtrans-94.9160.8-142.335.8-38.1000115.7N390P388-N390 PolarHBondContact O-N 3.16Å
389A27.8Very low31.5Very low99 Ų99142 Ų14282%0.81881%0.812SS**PPolyproline II helixtrans-61.7129.7166.200000111.2
390N29.3Very low32Very low158 Ų158146.1 Ų146.185%0.84582%0.817SS**PPolyproline II helixtrans-95125170.5-164.511.8000109.6P388P388-N390 PolarHBondContact O-N 3.16Å
391Q31.1Very low31.9Very low176 Ų176146.4 Ų146.482%0.82282%0.819SS**PPolyproline II helixtrans-83.9127.6-177.7-65.6177.8-0.300110.8
392N31.9Very low32.5Very low164 Ų164142.8 Ų142.888%0.87781%0.812SS**  trans-148.8105.3151.6-99.3-32.6000107.5
393G27.2Very low32.7Very low68 Ų68143.5 Ų143.570%0.70182%0.815SS**  trans-83.7149.6175.800000111.7
394N33Very low33Very low168 Ų168146.4 Ų146.490%0.89883%0.825SS**  trans-146.7133144-92.7-38000106.6
395D30.9Very low33.1Very low154 Ų154145.3 Ų145.382%0.82483%0.827SS**  trans-65.8153.1173.4-59.8-73.7000111.2
396L34.7Very low33.1Very low157 Ų157144.3 Ų144.382%0.82283%0.825SS**  -174.6125123.1-98.7159.8000112.7
397D33.8Very low33.3Very low142 Ų142144.2 Ų144.276%0.75983%0.828SS**  trans34.3106.6157.1-63.6-21.4000121.3S399D397-S399 PolarHBondContact O-N 3.44Å
398V32.9Very low33.4Very low144 Ų144143.1 Ų143.187%0.87383%0.827SS**  trans-69.5120.1152.4176.40000109.2
399S36.4Very low33.1Very low106 Ų106144.6 Ų144.674%0.74183%0.831SS**  trans-117.5133.8170.256.80000111.1D397D397-S399 PolarHBondContact O-N 3.44Å
400N35.8Very low33.5Very low156 Ų156147.7 Ų147.783%0.83483%0.832SS**PPolyproline II helixtrans-80.3127.9-174.2-67.3-52.6000111.7
401S30.7Very low33.8Very low115 Ų115146.9 Ų146.980%0.80483%0.831SS**PPolyproline II helixtrans-71.6130.7169.1-57.60000111.5
402P42.3Very low34Very low106 Ų106144.7 Ų144.769%0.68883%0.832SS**PPolyproline II helixtrans-76.3152.4165.832.8-33.6000111.1
403V36Very low34.2Very low137 Ų137143.1 Ų143.183%0.8383%0.828SS**PPolyproline II helixtrans-80.6143.5172.2177.90000110.2
404F36.5Very low34.8Very low264 Ų264149.9 Ų149.9100%1.15884%0.839SS**  trans-1300158.7-82.8-75.2000108.9

Retrieved 404 of 404 residues in 111.5 ms (Link to these results)

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