A0A3Q0KIH6_SCHMA Loading...

Putative aaa family ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KIH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 874 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
1M43.7Very low69.8Low97 Ų9753.1 Ų53.148%0.47827%0.268SS..  0141.70-72.3-168.8163.700109.6F20 M99M1-F20 HydrophobicContact CB-CD1 4.42Å; M1-F20 WeakPolarHBondContact O-CE1 3.28Å; M1-M99 HydrophobicContact CE-CB 4.09Å; M1-M99 WeakPolarHBondContact CE-O 3.27Å
2K57.4Low70.2Confident173 Ų17349.5 Ų49.575%0.75225%0.249SC*.  trans-73.7129160.5-83.6-176.1176.91770107
3P63.8Low70.2Confident25 Ų2560.3 Ų60.316%0.16229%0.285CS..  trans-68.4142.2173.129-29.4000109.4L6 F20 V32 G34P3-L6 HydrophobicContact CB-CD2 4.28Å; P3-L6 HydrophobicContact CG-CD2 3.37Å; P3-L6 HydrophobicContact CG-CG 3.95Å; P3-F20 HydrophobicContact CB-CD1 4.45Å; P3-F20 HydrophobicContact CB-CE1 4.17Å; P3-F20 HydrophobicContact CG-CE1 4.26Å; P3-V32 CarbonylContact C-O 3.55Å; P3-G34 VanDerWaalsContact CB-N 3.28Å
4D72.3Confident70.5Confident30 Ų3068.7 Ų68.716%0.1632%0.32CS..SBendtrans-69.7-41.1176.7-73.1-40.1000110.4A31 V32 S44 V47D4-A31 HydrophobicContact CB-CB 3.91Å; D4-V32 WeakPolarHBondContact CB-O 3.46Å; D4-V32 PolarHBondContact N-O 2.93Å; D4-V32 PolarHBondContact OD2-N 3.31Å; D4-S44 PolarHBondContact O-N 3.4Å; D4-S44 PolarHBondContact O-OG 2.69Å; D4-V47 HydrophobicContact CB-CG2 3.34Å; D4-V47 WeakPolarHBondContact OD1-CG2 3.13Å
5I74.4Confident70.5Confident4 Ų466.9 Ų66.92%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-130.5128.8-179.9-58.9174.7000108.7L7 V25 A31 V32 V33 G34 V41I5-L7 HydrophobicContact CG2-CD2 3.84Å; I5-L7 HydrophobicContact CG2-CG 4.19Å; I5-V25 HydrophobicContact CD1-CG1 4.47Å; I5-V25 HydrophobicContact CD1-CG2 3.56Å; I5-A31 HydrophobicContact CD1-CB 3.87Å; I5-A31 HydrophobicContact CG1-CB 4.27Å; I5-V32 PolarHBondContact N-O 3.34Å; I5-V33 CarbonylContact O-C 3.54Å; I5-V33 VanDerWaalsContact O-CA 3.24Å; I5-V33 WeakPolarHBondContact O-CA 3.37Å; I5-V33 WeakPolarHBondContact O-CG1 3.37Å; I5-G34 PolarHBondContact O-N 3.17Å; I5-V41 HydrophobicContact CG2-CG1 4.38Å
6L76Confident70.5Confident44 Ų4473.8 Ų73.823%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-98.2118.9172.5-68.4162.4000108.5P3 G34 V35 V41 E42P3-L6 HydrophobicContact CB-CD2 4.28Å; P3-L6 HydrophobicContact CG-CD2 3.37Å; P3-L6 HydrophobicContact CG-CG 3.95Å; L6-G34 CarbonylContact C-O 3.57Å; L6-G34 VanDerWaalsContact CA-O 3.27Å; L6-G34 WeakPolarHBondContact CA-O 3.21Å; L6-V35 WeakPolarHBondContact CD2-O 3.33Å; L6-V41 CarbonylContact O-C 3.58Å; L6-V41 VanDerWaalsContact O-CA 3.28Å; L6-V41 WeakPolarHBondContact O-CA 3.04Å; L6-E42 HydrophobicContact CB-CB 4.05Å; L6-E42 HydrophobicContact CD1-CB 4.08Å; L6-E42 WeakPolarHBondContact CD1-OE2 3.39Å; L6-E42 PolarHBondContact N-O 3.38Å; L6-E42 PolarHBondContact O-N 2.67Å
7L78.4Confident70.2Confident0 Ų070.6 Ų70.60%033%0.331CS..EExtended strand (participates in β ladder)trans-104.1150.6177.1-64.7178.5000111.7I5 F11 Y12 V33 G34 S36 V41 I61 C171I5-L7 HydrophobicContact CG2-CD2 3.84Å; I5-L7 HydrophobicContact CG2-CG 4.19Å; L7-F11 HydrophobicContact CB-CD1 4.32Å; L7-F11 HydrophobicContact CD1-CD1 3.53Å; L7-F11 HydrophobicContact CD1-CE1 3.5Å; L7-F11 VanDerWaalsContact CD1-CE1 3.5Å; L7-F11 HydrophobicContact CD1-CZ 4.45Å; L7-F11 HydrophobicContact CG-CD1 4.44Å; L7-Y12 HydrophobicContact CB-CD2 4.22Å; L7-Y12 HydrophobicContact CB-CE2 3.78Å; L7-V33 HydrophobicContact CB-CG1 3.96Å; L7-V33 HydrophobicContact CD1-CB 4.47Å; L7-V33 HydrophobicContact CD1-CG1 3.27Å; L7-V33 HydrophobicContact CD1-CG2 4.45Å; L7-V33 HydrophobicContact CG-CG1 3.36Å; L7-G34 PolarHBondContact N-O 2.71Å; L7-S36 PolarHBondContact O-N 3.35Å; L7-V41 HydrophobicContact CD2-CG1 4.11Å; L7-V41 HydrophobicContact CD2-CG2 3.99Å; L7-I61 HydrophobicContact CD1-CD1 3.42Å; L7-I61 VanDerWaalsContact CD1-CD1 3.42Å; L7-I61 HydrophobicContact CD2-CD1 3.8Å; L7-I61 HydrophobicContact CG-CD1 4.2Å; L7-C171 HydrophobicContact CD2-CB 4.22Å; L7-C171 VanDerWaalsContact CD2-SG 3.5Å
8P77.4Confident70Confident17 Ų1770.2 Ų70.211%0.1134%0.337CS..  trans-55.5143.8173.29.6-19000112.6S10 F11 Y12 D39 V41P8-S10 PolarHBondContact O-N 2.78Å; P8-F11 HydrophobicContact CB-CB 4.48Å; P8-F11 HydrophobicContact CG-CB 3.97Å; P8-F11 WeakPolarHBondContact O-CB 3.47Å; P8-F11 PolarHBondContact O-N 3.06Å; P8-Y12 WeakPolarHBondContact O-CD2 3.39Å; P8-Y12 PolarHBondContact O-N 2.93Å; P8-D39 VanDerWaalsContact CA-OD1 3.3Å; P8-D39 WeakPolarHBondContact CA-OD1 3.3Å; P8-D39 WeakPolarHBondContact CB-O 3.34Å; P8-D39 WeakPolarHBondContact CB-OD1 3.33Å; P8-V41 HydrophobicContact CG-CG2 4.26Å
9F75Confident69.8Low101 Ų10169.9 Ų69.944%0.44334%0.339SS..Hα-helixtrans-63.1-31.4178.1-175.8-104.2000111.6F11 Y12 R13 V35 D39F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 2.9Å; F9-Y12 WeakPolarHBondContact O-CB 3.3Å; F9-Y12 PolarHBondContact O-N 2.99Å; F9-R13 HydrophobicContact CE1-CG 4.08Å; F9-R13 HydrophobicContact CZ-CG 4.34Å; F9-R13 PolarHBondContact O-N 3.3Å; F9-V35 HydrophobicContact CB-CG1 4.11Å; F9-V35 HydrophobicContact CD2-CG1 4.02Å; F9-D39 PolarHBondContact N-OD1 3.4Å
10S74.1Confident69.6Low70 Ų7071.4 Ų71.449%0.4934%0.344SS..Hα-helixtrans-59.3-38.9172.759.40000112.6P8 R13 K14P8-S10 PolarHBondContact O-N 2.78Å; S10-R13 PolarHBondContact O-N 3.29Å; S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 2.85Å
11F75.4Confident70Confident23 Ų2370.6 Ų70.610%0.10134%0.34CS..Hα-helixtrans-67.6-41.7176.2-172.3-90.2000111.6L7 P8 F9 R13 K14 N15 L17 I61 C171 L173L7-F11 HydrophobicContact CB-CD1 4.32Å; L7-F11 HydrophobicContact CD1-CD1 3.53Å; L7-F11 HydrophobicContact CD1-CE1 3.5Å; L7-F11 VanDerWaalsContact CD1-CE1 3.5Å; L7-F11 HydrophobicContact CD1-CZ 4.45Å; L7-F11 HydrophobicContact CG-CD1 4.44Å; P8-F11 HydrophobicContact CB-CB 4.48Å; P8-F11 HydrophobicContact CG-CB 3.97Å; P8-F11 WeakPolarHBondContact O-CB 3.47Å; P8-F11 PolarHBondContact O-N 3.06Å; F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 2.9Å; F11-R13 PolarHBondContact O-N 3.21Å; F11-K14 PolarHBondContact O-N 3.46Å; F11-N15 WeakPolarHBondContact CD1-ND2 3.33Å; F11-N15 WeakPolarHBondContact CD2-ND2 3.29Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.49Å; F11-N15 WeakPolarHBondContact CE2-ND2 3.38Å; F11-N15 WeakPolarHBondContact CZ-ND2 3.31Å; F11-N15 VanDerWaalsContact O-CB 3.32Å; F11-N15 WeakPolarHBondContact O-CB 3.08Å; F11-N15 PolarHBondContact O-N 3.1Å; F11-N15 PolarHBondContact O-ND2 2.85Å; F11-L17 HydrophobicContact CD1-CD1 3.93Å; F11-L17 HydrophobicContact CE1-CD1 3.63Å; F11-I61 HydrophobicContact CE1-CD1 4.23Å; F11-I61 HydrophobicContact CZ-CD1 4.23Å; F11-C171 HydrophobicContact CD2-CB 4.38Å; F11-C171 HydrophobicContact CE2-CB 3.91Å; F11-C171 WeakPolarHBondContact CE2-O 3.42Å; F11-C171 HydrophobicContact CZ-CB 4.22Å; F11-L173 HydrophobicContact CE1-CB 4.44Å; F11-L173 HydrophobicContact CE2-CB 4.49Å; F11-L173 HydrophobicContact CZ-CB 3.79Å
12Y74.1Confident71.6Confident10 Ų1066.9 Ų66.94%0.03932%0.323CS..Hα-helixtrans-57.3-48.2173.5-86.9-83.2000112.6L7 P8 F9 N15 Q16 L17 C18 V33 G34 V35L7-Y12 HydrophobicContact CB-CD2 4.22Å; L7-Y12 HydrophobicContact CB-CE2 3.78Å; P8-Y12 WeakPolarHBondContact O-CD2 3.39Å; P8-Y12 PolarHBondContact O-N 2.93Å; F9-Y12 WeakPolarHBondContact O-CB 3.3Å; F9-Y12 PolarHBondContact O-N 2.99Å; Y12-N15 PolarHBondContact O-N 3.29Å; Y12-Q16 WeakPolarHBondContact O-CA 3.47Å; Y12-Q16 PolarHBondContact O-N 3.21Å; Y12-L17 HydrophobicContact CD1-CB 3.47Å; Y12-L17 VanDerWaalsContact CD1-CB 3.47Å; Y12-L17 WeakPolarHBondContact CD1-O 3.5Å; Y12-L17 HydrophobicContact CE1-CB 3.7Å; Y12-L17 HydrophobicContact CG-CB 4.41Å; Y12-L17 PolarHBondContact O-N 2.92Å; Y12-C18 WeakPolarHBondContact CE1-O 3.49Å; Y12-V33 HydrophobicContact CE2-CG1 4.28Å; Y12-V33 WeakPolarHBondContact OH-CB 3.22Å; Y12-V33 WeakPolarHBondContact OH-CG1 3.49Å; Y12-V33 PolarHBondContact OH-O 2.92Å; Y12-V33 VanDerWaalsContact OH-O 3.11Å; Y12-G34 VanDerWaalsContact CE2-O 3.26Å; Y12-G34 WeakPolarHBondContact CE2-O 3.2Å; Y12-G34 WeakPolarHBondContact OH-CA 3.47Å; Y12-G34 PolarHBondContact OH-N 3.05Å; Y12-G34 PolarHBondContact OH-O 3.17Å; Y12-G34 VanDerWaalsContact OH-O 3.05Å; Y12-V35 HydrophobicContact CD1-CG2 4.45Å; Y12-V35 HydrophobicContact CD2-CG2 3.68Å; Y12-V35 HydrophobicContact CE1-CG2 4.35Å; Y12-V35 HydrophobicContact CE2-CB 4.2Å; Y12-V35 HydrophobicContact CE2-CG2 3.5Å; Y12-V35 HydrophobicContact CG-CG2 4.14Å
13R70.9Confident72.6Confident190 Ų19058.7 Ų58.772%0.71729%0.287SS*.Hα-helixtrans-62.1-46177.8-93-171.6176.8165.12.1112.5F9 S10 F11 N15F9-R13 HydrophobicContact CE1-CG 4.08Å; F9-R13 HydrophobicContact CZ-CG 4.34Å; F9-R13 PolarHBondContact O-N 3.3Å; S10-R13 PolarHBondContact O-N 3.29Å; F11-R13 PolarHBondContact O-N 3.21Å; R13-N15 VanDerWaalsContact C-N 3.28Å; R13-N15 PolarHBondContact O-N 2.75Å
14K74.1Confident73.2Confident178 Ų17857.5 Ų57.577%0.77428%0.28SS*.Hα-helixtrans-63-38.1-178-173.5178.3177.9-176.60111.8S10 F11S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 2.85Å; F11-K14 PolarHBondContact O-N 3.46Å
15N70Confident73.3Confident41 Ų4156.4 Ų56.422%0.21927%0.274CS..Hα-helixtrans-1041.9-171.9-67.3-30.8000114.4F11 Y12 R13 L17 L173F11-N15 WeakPolarHBondContact CD1-ND2 3.33Å; F11-N15 WeakPolarHBondContact CD2-ND2 3.29Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.49Å; F11-N15 WeakPolarHBondContact CE2-ND2 3.38Å; F11-N15 WeakPolarHBondContact CZ-ND2 3.31Å; F11-N15 VanDerWaalsContact O-CB 3.32Å; F11-N15 WeakPolarHBondContact O-CB 3.08Å; F11-N15 PolarHBondContact O-N 3.1Å; F11-N15 PolarHBondContact O-ND2 2.85Å; Y12-N15 PolarHBondContact O-N 3.29Å; R13-N15 VanDerWaalsContact C-N 3.28Å; R13-N15 PolarHBondContact O-N 2.75Å; N15-L17 HydrophobicContact CB-CD1 4.18Å; N15-L17 HydrophobicContact CB-CG 4.07Å; N15-L17 PolarHBondContact O-N 2.66Å; N15-L173 HydrophobicContact CB-CD2 3.69Å
16Q70.6Confident73.3Confident178 Ų17857.4 Ų57.483%0.83228%0.279SS*.THydrogen-bonded Turntrans52.436.9-178.2-59.8-178.1-12.300113.9Y12Y12-Q16 WeakPolarHBondContact O-CA 3.47Å; Y12-Q16 PolarHBondContact O-N 3.21Å
17L66.4Low73Confident19 Ų1961.9 Ų61.910%0.09929%0.294CS..PPolyproline II helixtrans-77.7156177.6-69.4170.2000111.4F11 Y12 N15 L63 L173F11-L17 HydrophobicContact CD1-CD1 3.93Å; F11-L17 HydrophobicContact CE1-CD1 3.63Å; Y12-L17 HydrophobicContact CD1-CB 3.47Å; Y12-L17 VanDerWaalsContact CD1-CB 3.47Å; Y12-L17 WeakPolarHBondContact CD1-O 3.5Å; Y12-L17 HydrophobicContact CE1-CB 3.7Å; Y12-L17 HydrophobicContact CG-CB 4.41Å; Y12-L17 PolarHBondContact O-N 2.92Å; N15-L17 HydrophobicContact CB-CD1 4.18Å; N15-L17 HydrophobicContact CB-CG 4.07Å; N15-L17 PolarHBondContact O-N 2.66Å; L17-L63 HydrophobicContact CD2-CD2 3.87Å; L17-L63 HydrophobicContact CD2-CG 4.44Å; L17-L173 HydrophobicContact CD1-CD1 4.48Å
18C65.5Low72.6Confident64 Ų6466.7 Ų66.743%0.43232%0.315SS..PPolyproline II helixtrans-100.8143.7173.1-68.10000111.6Y12 F20 Q21Y12-C18 WeakPolarHBondContact CE1-O 3.49Å; C18-F20 PolarHBondContact O-N 3.01Å; C18-Q21 HydrophobicContact CB-CB 4.33Å; C18-Q21 WeakPolarHBondContact O-CB 3.37Å; C18-Q21 PolarHBondContact O-N 3.3Å
19V67.2Low72.5Confident64 Ų6466.9 Ų66.939%0.38831%0.314SS..THydrogen-bonded Turntrans-66.3129.4176.2-167.70000110.2V35 R642V19-V35 HydrophobicContact CB-CG2 4.27Å; V19-V35 HydrophobicContact CG1-CG2 3.98Å; V19-V35 HydrophobicContact CG2-CG2 3.44Å; V19-V35 VanDerWaalsContact CG2-CG2 3.44Å; V19-R642 PolarHBondContact O-NH2 3.23Å
20F66Low72.6Confident99 Ų9962.3 Ų62.343%0.43430%0.295SS..THydrogen-bonded Turntrans68.736.5-169.6-53-73.8000114.2M1 P3 C18 V32 V33M1-F20 HydrophobicContact CB-CD1 4.42Å; M1-F20 WeakPolarHBondContact O-CE1 3.28Å; P3-F20 HydrophobicContact CB-CD1 4.45Å; P3-F20 HydrophobicContact CB-CE1 4.17Å; P3-F20 HydrophobicContact CG-CE1 4.26Å; C18-F20 PolarHBondContact O-N 3.01Å; F20-V32 HydrophobicContact CB-CG1 4.2Å; F20-V32 HydrophobicContact CD1-CG1 4.17Å; F20-V33 WeakPolarHBondContact CA-O 3.29Å; F20-V33 PolarHBondContact N-O 3.09Å
21Q77.6Confident72.7Confident55 Ų5559.1 Ų59.126%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-86.9140.1169.6-173164.111.900110.4C18 V33 L63C18-Q21 HydrophobicContact CB-CB 4.33Å; C18-Q21 WeakPolarHBondContact O-CB 3.37Å; C18-Q21 PolarHBondContact O-N 3.3Å; Q21-V33 PolarHBondContact O-N 3.42Å; Q21-L63 HydrophobicContact CG-CD2 4.21Å
22V76.5Confident72.7Confident20 Ų2058.4 Ų58.412%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-77.6128.6173.5-176.50000108.2V32 P64 V67 H101 V182V22-V32 HydrophobicContact CG2-CG2 4.34Å; V22-P64 HydrophobicContact CG1-CG 4.5Å; V22-P64 WeakPolarHBondContact O-CD 3.17Å; V22-V67 HydrophobicContact CB-CG2 4.23Å; V22-V67 HydrophobicContact CG1-CG2 4.38Å; V22-H101 HydrophobicContact CG1-CB 4.31Å; V22-H101 WeakPolarHBondContact CG2-NE2 3.24Å; V22-V182 HydrophobicContact CG1-CG1 3.95Å
23V78.3Confident72.9Confident1 Ų158 Ų581%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-128.4160.6176-58.10000110V25 P30 A31 V33 I61 Q62 L63V23-V25 HydrophobicContact CG2-CG2 4.12Å; V23-P30 CarbonylContact O-C 3.59Å; V23-P30 VanDerWaalsContact O-CA 3.31Å; V23-P30 WeakPolarHBondContact O-CA 3.29Å; V23-A31 WeakPolarHBondContact CG2-O 3.41Å; V23-A31 PolarHBondContact N-O 3.31Å; V23-A31 PolarHBondContact O-N 2.8Å; V23-V33 HydrophobicContact CB-CG2 3.95Å; V23-V33 HydrophobicContact CG1-CG2 3.53Å; V23-V33 HydrophobicContact CG2-CG2 3.16Å; V23-I61 HydrophobicContact CB-CG2 3.6Å; V23-I61 HydrophobicContact CG1-CG2 3.78Å; V23-I61 HydrophobicContact CG2-CG2 3.7Å; V23-Q62 CarbonylContact C-O 3.59Å; V23-Q62 WeakPolarHBondContact CA-O 3.43Å; V23-Q62 WeakPolarHBondContact CB-O 3.42Å; V23-L63 HydrophobicContact CG1-CD2 4.4Å
24V77.3Confident73.2Confident0 Ų049 Ų490%024%0.235CC..EExtended strand (participates in β ladder)trans-102.7129.6168.8-178.70000108.6F29 I61 Q62 P64 M103 V182V24-F29 CarbonylContact C-O 3.56Å; V24-F29 WeakPolarHBondContact CA-O 3.48Å; V24-I61 CarbonylContact O-C 3.58Å; V24-Q62 HydrophobicContact CB-CB 4.42Å; V24-Q62 PolarHBondContact N-O 3.46Å; V24-Q62 PolarHBondContact O-N 3.27Å; V24-P64 HydrophobicContact CG2-CB 4.18Å; V24-M103 HydrophobicContact CB-SD 4.5Å; V24-M103 HydrophobicContact CG1-CE 3.62Å; V24-M103 HydrophobicContact CG1-SD 3.94Å; V24-M103 HydrophobicContact CG2-CE 4.43Å; V24-M103 HydrophobicContact CG2-SD 3.69Å; V24-V182 HydrophobicContact CG2-CG2 3.71Å
25V75.2Confident73.2Confident7 Ų742.7 Ų42.74%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-105.9129.2-177.6-176.40000108.8I5 V23 Y27 K28 F29 A31 L59 T60I5-V25 HydrophobicContact CD1-CG1 4.47Å; I5-V25 HydrophobicContact CD1-CG2 3.56Å; V23-V25 HydrophobicContact CG2-CG2 4.12Å; V25-Y27 PolarHBondContact O-N 3.19Å; V25-K28 PolarHBondContact O-N 3.09Å; V25-F29 PolarHBondContact N-O 3.45Å; V25-F29 PolarHBondContact O-N 3.33Å; V25-F29 VanDerWaalsContact O-N 3.08Å; V25-A31 HydrophobicContact CG2-CB 3.8Å; V25-L59 HydrophobicContact CG1-CD2 3.61Å; V25-T60 CarbonylContact C-O 3.53Å; V25-T60 WeakPolarHBondContact CA-O 3.47Å
26N73.1Confident73.4Confident24 Ų2441 Ų4113%0.12820%0.203CC..THydrogen-bonded Turntrans50.634177.1-71-18.4000114K28 R58 T60N26-K28 WeakPolarHBondContact O-CG 3.5Å; N26-K28 PolarHBondContact O-N 2.69Å; N26-R58 PolarHBondContact ND2-O 2.81Å; N26-R58 PolarHBondContact OD1-O 3.46Å; N26-T60 VanDerWaalsContact CA-OG1 3.31Å; N26-T60 WeakPolarHBondContact CA-OG1 3.47Å; N26-T60 PolarHBondContact N-O 3.45Å; N26-T60 PolarHBondContact OD1-N 2.82Å; N26-T60 PolarHBondContact OD1-OG1 3.42Å
27Y70.5Confident73.2Confident138 Ų13838.5 Ų38.554%0.54121%0.205SC..THydrogen-bonded Turntrans59.21.8-177.1-50.2-92.7000115.3V25 Q62 I174V25-Y27 PolarHBondContact O-N 3.19Å; Y27-Q62 VanDerWaalsContact CE1-CD 3.43Å; Y27-Q62 VanDerWaalsContact CE1-OE1 3.32Å; Y27-I174 HydrophobicContact CE2-CD1 4.25Å; Y27-I174 WeakPolarHBondContact OH-CD1 3.44Å
28K69.1Low73.4Confident101 Ų10140 Ų4044%0.43922%0.217SC..THydrogen-bonded Turntrans-113.4-31.8-168.8-74.9-177.4177.8-172.50112.3V25 N26 M103 T106V25-K28 PolarHBondContact O-N 3.09Å; N26-K28 WeakPolarHBondContact O-CG 3.5Å; N26-K28 PolarHBondContact O-N 2.69Å; K28-M103 WeakPolarHBondContact O-CE 3.4Å; K28-T106 WeakPolarHBondContact O-CG2 3.37Å
29F74.9Confident73.4Confident21 Ų2140.9 Ų40.99%0.09222%0.217CC..EExtended strand (participates in β ladder)trans-138.2129.7-165-54.4-65.5000113.7V24 V25 F51V24-F29 CarbonylContact C-O 3.56Å; V24-F29 WeakPolarHBondContact CA-O 3.48Å; V25-F29 PolarHBondContact N-O 3.45Å; V25-F29 PolarHBondContact O-N 3.33Å; V25-F29 VanDerWaalsContact O-N 3.08Å; F29-F51 HydrophobicContact CB-CD1 3.91Å; F29-F51 HydrophobicContact CB-CE1 3.41Å; F29-F51 VanDerWaalsContact CB-CE1 3.41Å; F29-F51 HydrophobicContact CB-CZ 3.93Å; F29-F51 AromaticContact CD1-CD1 3.43Å; F29-F51 HydrophobicContact CD1-CD1 3.43Å; F29-F51 VanDerWaalsContact CD1-CD1 3.43Å; F29-F51 AromaticContact CD1-CE1 3.38Å; F29-F51 HydrophobicContact CD1-CE1 3.38Å; F29-F51 AromaticContact CD2-CD1 3.76Å; F29-F51 HydrophobicContact CD2-CD1 3.76Å; F29-F51 HydrophobicContact CD2-CE1 4.17Å; F29-F51 HydrophobicContact CD2-CG 4.4Å; F29-F51 AromaticContact CE1-CD1 3.8Å; F29-F51 HydrophobicContact CE1-CD1 3.8Å; F29-F51 HydrophobicContact CE1-CE1 4.17Å; F29-F51 HydrophobicContact CE2-CD1 4.1Å; F29-F51 AromaticContact CG-CD1 3.4Å; F29-F51 HydrophobicContact CG-CD1 3.4Å; F29-F51 AromaticContact CG-CE1 3.37Å; F29-F51 HydrophobicContact CG-CE1 3.37Å; F29-F51 HydrophobicContact CG-CG 4.37Å; F29-F51 HydrophobicContact CG-CZ 4.34Å; F29-F51 HydrophobicContact CZ-CD1 4.12Å
30P77.6Confident73.5Confident6 Ų641.2 Ų41.24%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-77.2135.4170.132-32.1000110.7V23 H101 M103 V182V23-P30 CarbonylContact O-C 3.59Å; V23-P30 VanDerWaalsContact O-CA 3.31Å; V23-P30 WeakPolarHBondContact O-CA 3.29Å; P30-H101 HydrophobicContact CB-CB 4.04Å; P30-H101 HydrophobicContact CG-CB 4.32Å; P30-H101 WeakPolarHBondContact CG-O 3.43Å; P30-M103 HydrophobicContact CB-CG 4.36Å; P30-M103 HydrophobicContact CG-CG 4.04Å; P30-V182 HydrophobicContact CB-CG1 3.75Å; P30-V182 HydrophobicContact CB-CG2 4.11Å; P30-V182 HydrophobicContact CG-CG1 4.4Å
31A76.2Confident73.6Confident2 Ų237.7 Ų37.72%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-139.8149.6176.500000110.4D4 I5 V23 V25D4-A31 HydrophobicContact CB-CB 3.91Å; I5-A31 HydrophobicContact CD1-CB 3.87Å; I5-A31 HydrophobicContact CG1-CB 4.27Å; V23-A31 WeakPolarHBondContact CG2-O 3.41Å; V23-A31 PolarHBondContact N-O 3.31Å; V23-A31 PolarHBondContact O-N 2.8Å; V25-A31 HydrophobicContact CG2-CB 3.8Å
32V76.8Confident73.3Confident8 Ų838.8 Ų38.85%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-93.2124.1172.7-178.30000110P3 D4 I5 F20 V22P3-V32 CarbonylContact C-O 3.55Å; D4-V32 WeakPolarHBondContact CB-O 3.46Å; D4-V32 PolarHBondContact N-O 2.93Å; D4-V32 PolarHBondContact OD2-N 3.31Å; I5-V32 PolarHBondContact N-O 3.34Å; F20-V32 HydrophobicContact CB-CG1 4.2Å; F20-V32 HydrophobicContact CD1-CG1 4.17Å; V22-V32 HydrophobicContact CG2-CG2 4.34Å
33V78.2Confident73Confident1 Ų139.1 Ų39.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-93.5136.1-178.3-1630000111.8I5 L7 Y12 F20 Q21 V23I5-V33 CarbonylContact O-C 3.54Å; I5-V33 VanDerWaalsContact O-CA 3.24Å; I5-V33 WeakPolarHBondContact O-CA 3.37Å; I5-V33 WeakPolarHBondContact O-CG1 3.37Å; L7-V33 HydrophobicContact CB-CG1 3.96Å; L7-V33 HydrophobicContact CD1-CB 4.47Å; L7-V33 HydrophobicContact CD1-CG1 3.27Å; L7-V33 HydrophobicContact CD1-CG2 4.45Å; L7-V33 HydrophobicContact CG-CG1 3.36Å; Y12-V33 HydrophobicContact CE2-CG1 4.28Å; Y12-V33 WeakPolarHBondContact OH-CB 3.22Å; Y12-V33 WeakPolarHBondContact OH-CG1 3.49Å; Y12-V33 PolarHBondContact OH-O 2.92Å; Y12-V33 VanDerWaalsContact OH-O 3.11Å; F20-V33 WeakPolarHBondContact CA-O 3.29Å; F20-V33 PolarHBondContact N-O 3.09Å; Q21-V33 PolarHBondContact O-N 3.42Å; V23-V33 HydrophobicContact CB-CG2 3.95Å; V23-V33 HydrophobicContact CG1-CG2 3.53Å; V23-V33 HydrophobicContact CG2-CG2 3.16Å
34G75.3Confident72.5Confident1 Ų140.8 Ų40.81%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-121173.416900000112.9P3 I5 L6 L7 Y12P3-G34 VanDerWaalsContact CB-N 3.28Å; I5-G34 PolarHBondContact O-N 3.17Å; L6-G34 CarbonylContact C-O 3.57Å; L6-G34 VanDerWaalsContact CA-O 3.27Å; L6-G34 WeakPolarHBondContact CA-O 3.21Å; L7-G34 PolarHBondContact N-O 2.71Å; Y12-G34 VanDerWaalsContact CE2-O 3.26Å; Y12-G34 WeakPolarHBondContact CE2-O 3.2Å; Y12-G34 WeakPolarHBondContact OH-CA 3.47Å; Y12-G34 PolarHBondContact OH-N 3.05Å; Y12-G34 PolarHBondContact OH-O 3.17Å; Y12-G34 VanDerWaalsContact OH-O 3.05Å
35V75.1Confident71.7Confident47 Ų4746.2 Ų46.229%0.28525%0.25SS..EExtended strand (participates in β ladder)trans-89125.6178.8176.50000109.9L6 F9 Y12 V19L6-V35 WeakPolarHBondContact CD2-O 3.33Å; F9-V35 HydrophobicContact CB-CG1 4.11Å; F9-V35 HydrophobicContact CD2-CG1 4.02Å; Y12-V35 HydrophobicContact CD1-CG2 4.45Å; Y12-V35 HydrophobicContact CD2-CG2 3.68Å; Y12-V35 HydrophobicContact CE1-CG2 4.35Å; Y12-V35 HydrophobicContact CE2-CB 4.2Å; Y12-V35 HydrophobicContact CE2-CG2 3.5Å; Y12-V35 HydrophobicContact CG-CG2 4.14Å; V19-V35 HydrophobicContact CB-CG2 4.27Å; V19-V35 HydrophobicContact CG1-CG2 3.98Å; V19-V35 HydrophobicContact CG2-CG2 3.44Å; V19-V35 VanDerWaalsContact CG2-CG2 3.44Å
36S74.7Confident71Confident6 Ų651 Ų514%0.04227%0.272CS..  trans-73.6137.1172.6-177.40000111.5L7 S38 N40L7-S36 PolarHBondContact O-N 3.35Å; S36-S38 PolarHBondContact OG-N 3.1Å; S36-S38 PolarHBondContact OG-OG 3.34Å; S36-N40 WeakPolarHBondContact CB-O 3.44Å; S36-N40 PolarHBondContact OG-O 3.3Å
37S66.3Low70.5Confident125 Ų12550 Ų5087%0.87427%0.267SS*.SBendtrans-80.2-25173.2670000113.1D39S37-D39 VanDerWaalsContact C-N 3.31Å
38S69.4Low70.1Confident51 Ų5146.6 Ų46.636%0.35726%0.258SS..SBendtrans-86.5-3.4-179.262.30000113S36 N40 E42S36-S38 PolarHBondContact OG-N 3.1Å; S36-S38 PolarHBondContact OG-OG 3.34Å; S38-N40 PolarHBondContact O-N 3.38Å; S38-N40 VanDerWaalsContact O-N 3.13Å; S38-N40 PolarHBondContact OG-N 3.09Å; S38-E42 WeakPolarHBondContact CB-OE1 3.02Å; S38-E42 PolarHBondContact OG-OE1 3.17Å
39D66Low69.6Low82 Ų8244.1 Ų44.144%0.43925%0.253SS..SBendtrans54.921.7-170.3-134.519.6000113P8 F9 S37P8-D39 VanDerWaalsContact CA-OD1 3.3Å; P8-D39 WeakPolarHBondContact CA-OD1 3.3Å; P8-D39 WeakPolarHBondContact CB-O 3.34Å; P8-D39 WeakPolarHBondContact CB-OD1 3.33Å; F9-D39 PolarHBondContact N-OD1 3.4Å; S37-D39 VanDerWaalsContact C-N 3.31Å
40N69.4Low68.8Low71 Ų7145.7 Ų45.738%0.3826%0.26SS..SBendtrans-108.4156.9169.7-68.8-31.2000110.4S36 S38 E42S36-N40 WeakPolarHBondContact CB-O 3.44Å; S36-N40 PolarHBondContact OG-O 3.3Å; S38-N40 PolarHBondContact O-N 3.38Å; S38-N40 VanDerWaalsContact O-N 3.13Å; S38-N40 PolarHBondContact OG-N 3.09Å; N40-E42 PolarHBondContact O-N 2.66Å
41V69.1Low67.9Low24 Ų2446.3 Ų46.315%0.14526%0.262CS..  trans-75.8117.2171.5177.30000108.6I5 L6 L7 P8 L59 W169 C171I5-V41 HydrophobicContact CG2-CG1 4.38Å; L6-V41 CarbonylContact O-C 3.58Å; L6-V41 VanDerWaalsContact O-CA 3.28Å; L6-V41 WeakPolarHBondContact O-CA 3.04Å; L7-V41 HydrophobicContact CD2-CG1 4.11Å; L7-V41 HydrophobicContact CD2-CG2 3.99Å; P8-V41 HydrophobicContact CG-CG2 4.26Å; V41-L59 HydrophobicContact CG1-CD1 4.12Å; V41-W169 HydrophobicContact CB-CB 3.98Å; V41-W169 HydrophobicContact CG1-CB 3.94Å; V41-W169 HydrophobicContact CG1-CG 4.5Å; V41-C171 HydrophobicContact CG2-CB 4.36Å; V41-C171 VanDerWaalsContact CG2-SG 3.55Å
42E70.9Confident66.9Low78 Ų7849.9 Ų49.936%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-116.5134.9176.1-55171.5179.700108.9L6 S38 N40L6-E42 HydrophobicContact CB-CB 4.05Å; L6-E42 HydrophobicContact CD1-CB 4.08Å; L6-E42 WeakPolarHBondContact CD1-OE2 3.39Å; L6-E42 PolarHBondContact N-O 3.38Å; L6-E42 PolarHBondContact O-N 2.67Å; S38-E42 WeakPolarHBondContact CB-OE1 3.02Å; S38-E42 PolarHBondContact OG-OE1 3.17Å; N40-E42 PolarHBondContact O-N 2.66Å
43I70.6Confident65.6Low28 Ų2854 Ų5414%0.14431%0.307CS..EExtended strand (participates in β ladder)trans-109.7133177.7-54.9179.4000107.2V47 L48 L59 W169I43-V47 HydrophobicContact CG2-CB 3.92Å; I43-V47 HydrophobicContact CG2-CG1 3.28Å; I43-L48 HydrophobicContact CG2-CD2 4.17Å; I43-L48 HydrophobicContact CG2-CG 4Å; I43-L59 HydrophobicContact CD1-CD1 3.97Å; I43-L59 HydrophobicContact CG1-CD1 4.49Å; I43-W169 HydrophobicContact CD1-CD2 3.92Å; I43-W169 HydrophobicContact CD1-CE3 3.98Å; I43-W169 HydrophobicContact CD1-CH2 3.69Å; I43-W169 HydrophobicContact CD1-CZ2 3.63Å; I43-W169 HydrophobicContact CD1-CZ3 3.86Å
44S66.5Low64.5Low35 Ų3560.4 Ų60.425%0.24534%0.342CS..  trans-69146.5176.5640000112.1D4 E46 V47 L48D4-S44 PolarHBondContact O-N 3.4Å; D4-S44 PolarHBondContact O-OG 2.69Å; S44-E46 PolarHBondContact O-N 3.31Å; S44-V47 WeakPolarHBondContact O-CB 3.25Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 WeakPolarHBondContact OG-CB 3.46Å; S44-V47 WeakPolarHBondContact OG-CG2 3.49Å; S44-L48 PolarHBondContact O-N 3.17Å; S44-L48 VanDerWaalsContact O-N 3.1Å
45D62Low63.5Low115 Ų11561.8 Ų61.862%0.61535%0.349SS*.Hα-helixtrans-59.9-32.5178.3-61.2-32.6000112.5V47 L48 S49D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.08Å; D45-L48 PolarHBondContact O-N 3.28Å; D45-S49 PolarHBondContact O-N 3.44Å
46E59.2Low62.8Low106 Ų10663.2 Ų63.250%0.49536%0.359SS..Hα-helixtrans-61.7-38.8176.1-72.5-178.9-155.800111.9S44 S49 K50S44-E46 PolarHBondContact O-N 3.31Å; E46-S49 PolarHBondContact O-N 3.47Å; E46-S49 PolarHBondContact O-OG 3.29Å; E46-K50 VanDerWaalsContact O-CG 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.24Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-K50 VanDerWaalsContact O-N 3.16Å
47V63.7Low62.1Low5 Ų570.6 Ų70.63%0.0339%0.386CS..Hα-helixtrans-68.7-47.7176.1159.40000109.3D4 I43 S44 D45 S49 K50 F51D4-V47 HydrophobicContact CB-CG2 3.34Å; D4-V47 WeakPolarHBondContact OD1-CG2 3.13Å; I43-V47 HydrophobicContact CG2-CB 3.92Å; I43-V47 HydrophobicContact CG2-CG1 3.28Å; S44-V47 WeakPolarHBondContact O-CB 3.25Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 WeakPolarHBondContact OG-CB 3.46Å; S44-V47 WeakPolarHBondContact OG-CG2 3.49Å; D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.08Å; V47-S49 PolarHBondContact O-N 2.93Å; V47-S49 VanDerWaalsContact O-N 3.16Å; V47-K50 PolarHBondContact O-N 3.42Å; V47-F51 HydrophobicContact CB-CD2 4.06Å; V47-F51 HydrophobicContact CB-CE2 3.87Å; V47-F51 HydrophobicContact CG1-CD2 3.41Å; V47-F51 VanDerWaalsContact CG1-CD2 3.41Å; V47-F51 HydrophobicContact CG1-CE2 3.42Å; V47-F51 VanDerWaalsContact CG1-CE2 3.42Å; V47-F51 HydrophobicContact CG2-CE2 4.06Å; V47-F51 WeakPolarHBondContact O-CD2 3.4Å; V47-F51 WeakPolarHBondContact O-CG 3.27Å; V47-F51 PolarHBondContact O-N 2.68Å; V47-F51 VanDerWaalsContact O-N 3.14Å
48L62.3Low62.2Low66 Ų6672.4 Ų72.435%0.34637%0.374SS..Hα-helixtrans-55.9-34.6175.1-69.3170.5000112.6I43 S44 D45 F51I43-L48 HydrophobicContact CG2-CD2 4.17Å; I43-L48 HydrophobicContact CG2-CG 4Å; S44-L48 PolarHBondContact O-N 3.17Å; S44-L48 VanDerWaalsContact O-N 3.1Å; D45-L48 PolarHBondContact O-N 3.28Å; L48-F51 VanDerWaalsContact O-O 3.12Å
49S58.2Low62.2Low49 Ų4970.1 Ų70.134%0.34336%0.358SS..Hα-helixtrans-75.8-24.5176.176.90000114.9D45 E46 V47 T109D45-S49 PolarHBondContact O-N 3.44Å; E46-S49 PolarHBondContact O-N 3.47Å; E46-S49 PolarHBondContact O-OG 3.29Å; V47-S49 PolarHBondContact O-N 2.93Å; V47-S49 VanDerWaalsContact O-N 3.16Å; S49-T109 PolarHBondContact O-OG1 3.45Å
50K57.4Low62.5Low54 Ų5467.5 Ų67.524%0.23535%0.345CS..Hα-helixtrans-83.7-21.3179.9-77.3171.5-173.3167.80113E46 V47 T109E46-K50 VanDerWaalsContact O-CG 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.24Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-K50 VanDerWaalsContact O-N 3.16Å; V47-K50 PolarHBondContact O-N 3.42Å; K50-T109 VanDerWaalsContact C-OG1 3.27Å; K50-T109 WeakPolarHBondContact CA-O 3.23Å; K50-T109 PolarHBondContact O-N 3.44Å; K50-T109 PolarHBondContact O-OG1 2.98Å
51F58Low62.8Low18 Ų1864.1 Ų64.18%0.07933%0.326CS..SBendtrans-118.7158.1-169.3-57-54.2000111.4F29 V47 L48 L55F29-F51 HydrophobicContact CB-CD1 3.91Å; F29-F51 HydrophobicContact CB-CE1 3.41Å; F29-F51 VanDerWaalsContact CB-CE1 3.41Å; F29-F51 HydrophobicContact CB-CZ 3.93Å; F29-F51 AromaticContact CD1-CD1 3.43Å; F29-F51 HydrophobicContact CD1-CD1 3.43Å; F29-F51 VanDerWaalsContact CD1-CD1 3.43Å; F29-F51 AromaticContact CD1-CE1 3.38Å; F29-F51 HydrophobicContact CD1-CE1 3.38Å; F29-F51 AromaticContact CD2-CD1 3.76Å; F29-F51 HydrophobicContact CD2-CD1 3.76Å; F29-F51 HydrophobicContact CD2-CE1 4.17Å; F29-F51 HydrophobicContact CD2-CG 4.4Å; F29-F51 AromaticContact CE1-CD1 3.8Å; F29-F51 HydrophobicContact CE1-CD1 3.8Å; F29-F51 HydrophobicContact CE1-CE1 4.17Å; F29-F51 HydrophobicContact CE2-CD1 4.1Å; F29-F51 AromaticContact CG-CD1 3.4Å; F29-F51 HydrophobicContact CG-CD1 3.4Å; F29-F51 AromaticContact CG-CE1 3.37Å; F29-F51 HydrophobicContact CG-CE1 3.37Å; F29-F51 HydrophobicContact CG-CG 4.37Å; F29-F51 HydrophobicContact CG-CZ 4.34Å; F29-F51 HydrophobicContact CZ-CD1 4.12Å; V47-F51 HydrophobicContact CB-CD2 4.06Å; V47-F51 HydrophobicContact CB-CE2 3.87Å; V47-F51 HydrophobicContact CG1-CD2 3.41Å; V47-F51 VanDerWaalsContact CG1-CD2 3.41Å; V47-F51 HydrophobicContact CG1-CE2 3.42Å; V47-F51 VanDerWaalsContact CG1-CE2 3.42Å; V47-F51 HydrophobicContact CG2-CE2 4.06Å; V47-F51 WeakPolarHBondContact O-CD2 3.4Å; V47-F51 WeakPolarHBondContact O-CG 3.27Å; V47-F51 PolarHBondContact O-N 2.68Å; V47-F51 VanDerWaalsContact O-N 3.14Å; L48-F51 VanDerWaalsContact O-O 3.12Å; F51-L55 HydrophobicContact CB-CD1 3.47Å; F51-L55 VanDerWaalsContact CB-CD1 3.47Å; F51-L55 HydrophobicContact CG-CD1 4.28Å
52D55.1Low63.2Low77 Ų7763.1 Ų63.141%0.41232%0.32SS..  trans-56.1136.2179.9-98.1-38.4000111.1D54 L55D52-D54 PolarHBondContact O-N 2.94Å; D52-D54 VanDerWaalsContact O-N 3.12Å; D52-L55 PolarHBondContact O-N 3.3Å
53P50.8Low63.5Low94 Ų9462.4 Ų62.461%0.6132%0.318SS*.THydrogen-bonded Turntrans-60.2-21.8174.724.6-32.2000112.2L55P53-L55 PolarHBondContact O-N 3.25Å
54D53.7Low63.7Low136 Ų13662 Ų6273%0.72732%0.318SS*.THydrogen-bonded Turntrans-85.324.6178.1-65.7-31.6000113.9D52 P56D52-D54 PolarHBondContact O-N 2.94Å; D52-D54 VanDerWaalsContact O-N 3.12Å; D54-P56 WeakPolarHBondContact O-CD 3.11Å
55L56.2Low64Low30 Ų3063.5 Ų63.516%0.15733%0.326CS..  trans-57.3120.5171.7-103.9155.9000109.9F51 D52 P53 R57 L59 W169F51-L55 HydrophobicContact CB-CD1 3.47Å; F51-L55 VanDerWaalsContact CB-CD1 3.47Å; F51-L55 HydrophobicContact CG-CD1 4.28Å; D52-L55 PolarHBondContact O-N 3.3Å; P53-L55 PolarHBondContact O-N 3.25Å; L55-R57 PolarHBondContact O-N 2.84Å; L55-L59 HydrophobicContact CD2-CD2 4.2Å; L55-W169 HydrophobicContact CB-CH2 4.5Å
56P58.8Low64.5Low77 Ų7767 Ų6750%0.533%0.33SS..  trans-60141.7177.422.9-32.6000109.8D54 R58 W169D54-P56 WeakPolarHBondContact O-CD 3.11Å; P56-R58 CarbonylContact O-C 3.3Å; P56-R58 PolarHBondContact O-N 2.75Å; P56-W169 WeakPolarHBondContact O-CZ3 3.3Å
57R61.5Low65.4Low162 Ų16265 Ų6561%0.61133%0.325SS*.SBendtrans-60.8-1.1176.6-65.4-173.6-178.8-165.3-2.1114.4L55 N167 L170L55-R57 PolarHBondContact O-N 2.84Å; R57-N167 PolarHBondContact NH1-OD1 3.3Å; R57-N167 VanDerWaalsContact NH1-OD1 3.11Å; R57-L170 PolarHBondContact O-N 3.44Å; R57-L170 VanDerWaalsContact O-N 3.16Å
58R66.5Low66.3Low163 Ų16366 Ų6662%0.61533%0.33SS*.EExtended strand (participates in β ladder)trans-105119.3169.5-70.7-173.1-178.7-174.21109.7N26 P56 L170N26-R58 PolarHBondContact ND2-O 2.81Å; N26-R58 PolarHBondContact OD1-O 3.46Å; P56-R58 CarbonylContact O-C 3.3Å; P56-R58 PolarHBondContact O-N 2.75Å; R58-L170 CarbonylContact C-O 3.51Å; R58-L170 WeakPolarHBondContact CA-O 3.27Å; R58-L170 HydrophobicContact CG-CB 4.11Å
59L70.2Confident67.1Low3 Ų366.3 Ų66.32%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-102.6109.6177.3-66.4167.1000108.9V25 V41 I43 L55 W169 L170 C171 E172V25-L59 HydrophobicContact CG1-CD2 3.61Å; V41-L59 HydrophobicContact CG1-CD1 4.12Å; I43-L59 HydrophobicContact CD1-CD1 3.97Å; I43-L59 HydrophobicContact CG1-CD1 4.49Å; L55-L59 HydrophobicContact CD2-CD2 4.2Å; L59-W169 HydrophobicContact CD1-CD2 4.32Å; L59-W169 HydrophobicContact CD1-CE3 3.68Å; L59-W169 HydrophobicContact CD1-CZ3 4.25Å; L59-W169 HydrophobicContact CD2-CE3 4.25Å; L59-W169 HydrophobicContact CD2-CZ3 4.07Å; L59-W169 HydrophobicContact CG-CE3 3.71Å; L59-W169 HydrophobicContact CG-CZ3 4.05Å; L59-L170 PolarHBondContact N-O 2.99Å; L59-C171 VanDerWaalsContact O-CA 3.31Å; L59-C171 WeakPolarHBondContact O-CA 3.2Å; L59-E172 PolarHBondContact O-N 2.87Å
60T73.4Confident68.1Low27 Ų2764.4 Ų64.417%0.16632%0.323CS..EExtended strand (participates in β ladder)trans-85124.3167.955.90000108.7V25 N26 E172 I174V25-T60 CarbonylContact C-O 3.53Å; V25-T60 WeakPolarHBondContact CA-O 3.47Å; N26-T60 VanDerWaalsContact CA-OG1 3.31Å; N26-T60 WeakPolarHBondContact CA-OG1 3.47Å; N26-T60 PolarHBondContact N-O 3.45Å; N26-T60 PolarHBondContact OD1-N 2.82Å; N26-T60 PolarHBondContact OD1-OG1 3.42Å; T60-E172 CarbonylContact C-O 3.58Å; T60-E172 WeakPolarHBondContact CA-O 3.41Å; T60-I174 HydrophobicContact CG2-CD1 3.92Å
61I75.8Confident69.2Low0 Ų067.8 Ų67.80%034%0.338CS..EExtended strand (participates in β ladder)trans-110.7133-177.3-58-177.7000107.8L7 F11 V23 V24 C171 E172 L173 I174L7-I61 HydrophobicContact CD1-CD1 3.42Å; L7-I61 VanDerWaalsContact CD1-CD1 3.42Å; L7-I61 HydrophobicContact CD2-CD1 3.8Å; L7-I61 HydrophobicContact CG-CD1 4.2Å; F11-I61 HydrophobicContact CE1-CD1 4.23Å; F11-I61 HydrophobicContact CZ-CD1 4.23Å; V23-I61 HydrophobicContact CB-CG2 3.6Å; V23-I61 HydrophobicContact CG1-CG2 3.78Å; V23-I61 HydrophobicContact CG2-CG2 3.7Å; V24-I61 CarbonylContact O-C 3.58Å; I61-C171 HydrophobicContact CD1-CB 4.26Å; I61-E172 PolarHBondContact N-O 3.18Å; I61-L173 HydrophobicContact CB-CD1 4.13Å; I61-L173 HydrophobicContact CG2-CD1 3.9Å; I61-L173 CarbonylContact O-C 3.39Å; I61-L173 WeakPolarHBondContact O-CA 3.47Å; I61-L173 WeakPolarHBondContact O-CD1 3.49Å; I61-I174 PolarHBondContact O-N 2.99Å
62Q77.6Confident70.3Confident3 Ų367.7 Ų67.71%0.01434%0.34CS..EExtended strand (participates in β ladder)trans-130.2148.9177.9-75.1-172.6-26.800110.8V23 V24 Y27 I174 S176V23-Q62 CarbonylContact C-O 3.59Å; V23-Q62 WeakPolarHBondContact CA-O 3.43Å; V23-Q62 WeakPolarHBondContact CB-O 3.42Å; V24-Q62 HydrophobicContact CB-CB 4.42Å; V24-Q62 PolarHBondContact N-O 3.46Å; V24-Q62 PolarHBondContact O-N 3.27Å; Y27-Q62 VanDerWaalsContact CE1-CD 3.43Å; Y27-Q62 VanDerWaalsContact CE1-OE1 3.32Å; Q62-I174 HydrophobicContact CG-CB 3.81Å; Q62-I174 HydrophobicContact CG-CG2 4.4Å; Q62-S176 PolarHBondContact NE2-O 2.79Å; Q62-S176 PolarHBondContact NE2-OG 2.82Å
63L76.7Confident71.6Confident62 Ų6264 Ų6433%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-80.8132.8169.7-71.4170.1000109.1L17 Q21 V23 P177 S178L17-L63 HydrophobicContact CD2-CD2 3.87Å; L17-L63 HydrophobicContact CD2-CG 4.44Å; Q21-L63 HydrophobicContact CG-CD2 4.21Å; V23-L63 HydrophobicContact CG1-CD2 4.4Å; L63-P177 WeakPolarHBondContact O-CA 3.48Å; L63-P177 WeakPolarHBondContact O-CB 3.42Å; L63-S178 PolarHBondContact O-N 2.94Å; L63-S178 VanDerWaalsContact O-N 3.1Å
64P73.4Confident73.1Confident21 Ų2164.8 Ų64.814%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-65.8143.9174.428.3-34.1000110.1V22 V24 R66 V67 S178 V182V22-P64 HydrophobicContact CG1-CG 4.5Å; V22-P64 WeakPolarHBondContact O-CD 3.17Å; V24-P64 HydrophobicContact CG2-CB 4.18Å; P64-R66 VanDerWaalsContact C-N 3.32Å; P64-R66 PolarHBondContact O-N 3.17Å; P64-V67 HydrophobicContact CB-CG2 4.49Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; P64-S178 WeakPolarHBondContact CA-OG 3.2Å; P64-V182 HydrophobicContact CB-CB 4.19Å; P64-V182 HydrophobicContact CB-CG2 3.55Å; P64-V182 HydrophobicContact CG-CG2 4.33Å
65T72.9Confident74.5Confident66 Ų6658.4 Ų58.441%0.40528%0.276SS..SBendtrans-56-47.8172.6360000111.5P177 S178 Q180T65-P177 HydrophobicContact CG2-CB 3.81Å; T65-P177 HydrophobicContact CG2-CG 3.97Å; T65-S178 WeakPolarHBondContact CG2-O 3.46Å; T65-S178 PolarHBondContact OG1-O 3.34Å; T65-Q180 PolarHBondContact OG1-O 3.4Å
66R74.1Confident75.7Confident187 Ų18759.7 Ų59.771%0.70628%0.282SS*.  trans-148.9146.9176.9-62.5-175.2-178.8170-0.1110.9P64 I68 V182P64-R66 VanDerWaalsContact C-N 3.32Å; P64-R66 PolarHBondContact O-N 3.17Å; R66-I68 HydrophobicContact CB-CG1 4.18Å; R66-V182 PolarHBondContact O-N 3.49Å
67V77.5Confident76.5Confident65 Ų6556.1 Ų56.139%0.39426%0.258SS..EExtended strand (participates in β ladder)trans-106.5110.7168.4-177.80000108.4V22 P64 V182 K184V22-V67 HydrophobicContact CB-CG2 4.23Å; V22-V67 HydrophobicContact CG1-CG2 4.38Å; P64-V67 HydrophobicContact CB-CG2 4.49Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; V67-V182 CarbonylContact C-O 3.52Å; V67-V182 VanDerWaalsContact CA-O 3.27Å; V67-V182 WeakPolarHBondContact CA-O 3.22Å; V67-V182 HydrophobicContact CG2-CB 4.45Å; V67-K184 HydrophobicContact CG1-CB 4.17Å
68I81.7Confident77Confident26 Ų2652.9 Ų52.913%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-108.2127.4-171.7-56.9178.1000109.6R66 A70 S126 F132 P181 V182 F183 K184R66-I68 HydrophobicContact CB-CG1 4.18Å; I68-A70 PolarHBondContact O-N 3.38Å; I68-S126 VanDerWaalsContact CG2-CB 3.47Å; I68-F132 HydrophobicContact CD1-CE2 4.19Å; I68-F132 HydrophobicContact CD1-CZ 3.9Å; I68-P181 HydrophobicContact CD1-CB 3.77Å; I68-P181 HydrophobicContact CD1-CG 4.43Å; I68-P181 HydrophobicContact CG1-CB 4.37Å; I68-V182 PolarHBondContact N-O 2.72Å; I68-F183 HydrophobicContact CB-CD1 4.13Å; I68-F183 HydrophobicContact CB-CE1 4.15Å; I68-F183 HydrophobicContact CD1-CE1 4.43Å; I68-F183 HydrophobicContact CG2-CD1 4.35Å; I68-F183 HydrophobicContact CG2-CE1 4.22Å; I68-F183 CarbonylContact O-C 3.55Å; I68-F183 VanDerWaalsContact O-CA 3.25Å; I68-F183 WeakPolarHBondContact O-CA 3.13Å; I68-K184 PolarHBondContact O-N 2.88Å
69P80.2Confident77.2Confident73 Ų7346.7 Ų46.747%0.47423%0.232SC..EExtended strand (participates in β ladder)trans-65.6125.1170.326.4-31.4000110S126 A127P69-S126 CarbonylContact O-C 3.59Å; P69-A127 HydrophobicContact CB-CB 4.24Å; P69-A127 HydrophobicContact CG-CB 3.83Å; P69-A127 PolarHBondContact O-N 2.92Å
70A79.4Confident77Confident9 Ų952.1 Ų52.17%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-74.6149174.400000110.7I68 L73 I125 F183 K184 T189I68-A70 PolarHBondContact O-N 3.38Å; A70-L73 HydrophobicContact CB-CD2 4.01Å; A70-L73 HydrophobicContact CB-CG 4.13Å; A70-I125 CarbonylContact C-O 3.57Å; A70-F183 HydrophobicContact CB-CB 4.36Å; A70-F183 HydrophobicContact CB-CD1 4.44Å; A70-K184 PolarHBondContact N-O 3.33Å; A70-T189 HydrophobicContact CB-CG2 4.01Å; A70-T189 WeakPolarHBondContact O-CG2 3.5Å
71K79.7Confident76.5Confident125 Ų12551.3 Ų51.354%0.54326%0.262SS..EExtended strand (participates in β ladder)trans-99.4-41.7165.3-176175.9-179.7177.60110.6I125 S126 T189 K190K71-I125 PolarHBondContact N-O 3.15Å; K71-S126 VanDerWaalsContact CB-O 3.24Å; K71-S126 WeakPolarHBondContact CB-O 3.35Å; K71-T189 WeakPolarHBondContact O-CA 3.38Å; K71-K190 PolarHBondContact O-N 2.78Å
72S81Confident75.6Confident16 Ų1655.4 Ų55.411%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-148.1149.2173.354.40000111.7I125 K190S72-I125 PolarHBondContact N-O 3.29Å; S72-I125 PolarHBondContact O-N 3.5Å; S72-I125 WeakPolarHBondContact OG-CB 3.33Å; S72-I125 WeakPolarHBondContact OG-CD1 3.33Å; S72-K190 CarbonylContact C-O 3.5Å; S72-K190 WeakPolarHBondContact CA-O 3.08Å; S72-K190 WeakPolarHBondContact CB-O 3.37Å
73L81.8Confident74.7Confident0 Ų059.9 Ų59.90%031%0.313CS..EExtended strand (participates in β ladder)trans-125.2133175.2-66.4178.3000109.4A70 A124 I185 K190 L191 I192A70-L73 HydrophobicContact CB-CD2 4.01Å; A70-L73 HydrophobicContact CB-CG 4.13Å; L73-A124 HydrophobicContact CD2-CB 3.35Å; L73-I185 HydrophobicContact CD1-CD1 3.27Å; L73-I185 HydrophobicContact CD1-CG1 3.56Å; L73-K190 PolarHBondContact N-O 2.96Å; L73-L191 HydrophobicContact CB-CD2 3.88Å; L73-L191 HydrophobicContact CD1-CD2 4.22Å; L73-L191 HydrophobicContact CG-CD2 4.5Å; L73-L191 CarbonylContact O-C 3.55Å; L73-L191 WeakPolarHBondContact O-CA 3.42Å; L73-I192 PolarHBondContact O-N 3.31Å
74R83.1Confident73.6Confident110 Ų11061.2 Ų61.242%0.41532%0.324SS..EExtended strand (participates in β ladder)trans-96.6118.6171.6-166.8176.3179.6174.5-2.5108.8V122 E123 I192 V194R74-V122 PolarHBondContact O-N 3.33Å; R74-E123 HydrophobicContact CB-CB 3.96Å; R74-E123 PolarHBondContact N-O 2.99Å; R74-E123 PolarHBondContact O-N 3.16Å; R74-I192 WeakPolarHBondContact CA-O 3.46Å; R74-I192 HydrophobicContact CG-CG2 4.44Å; R74-V194 HydrophobicContact CG-CG2 4.26Å
75L82.2Confident73Confident1 Ų162.1 Ų62.11%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-116.6129.5-175.7-61.3173.1000108.6L97 L120 I121 L191 I192 L193 V194L75-L97 HydrophobicContact CD1-CD1 3.67Å; L75-L120 CarbonylContact C-O 3.58Å; L75-L120 WeakPolarHBondContact CA-O 3.32Å; L75-I121 HydrophobicContact CD2-CB 4.29Å; L75-I121 HydrophobicContact CD2-CD1 4.33Å; L75-I121 HydrophobicContact CD2-CG1 3.67Å; L75-I121 HydrophobicContact CD2-CG2 4.37Å; L75-L191 HydrophobicContact CD1-CB 4.38Å; L75-L191 HydrophobicContact CD1-CD1 3.89Å; L75-L191 HydrophobicContact CD1-CD2 3.88Å; L75-L191 HydrophobicContact CD1-CG 4.27Å; L75-I192 PolarHBondContact N-O 3.46Å; L75-L193 HydrophobicContact CB-CD2 3.81Å; L75-L193 HydrophobicContact CD1-CD2 4.13Å; L75-L193 CarbonylContact O-C 3.22Å; L75-L193 WeakPolarHBondContact O-CA 3.22Å; L75-V194 PolarHBondContact O-N 3.29Å
76E81.4Confident72.6Confident58 Ų5860.5 Ų60.527%0.27132%0.316SS..EExtended strand (participates in β ladder)trans-100.6121.9171.9-177.3174.3-170.900109.5M78 L119 L120 V122 V194 A196E76-M78 PolarHBondContact O-N 2.95Å; E76-L119 WeakPolarHBondContact O-CA 3.18Å; E76-L120 HydrophobicContact CB-CB 4.32Å; E76-L120 PolarHBondContact N-O 2.94Å; E76-L120 PolarHBondContact O-N 3.48Å; E76-V122 HydrophobicContact CB-CG2 3.61Å; E76-V194 CarbonylContact C-O 3.59Å; E76-V194 VanDerWaalsContact CA-O 3.26Å; E76-V194 WeakPolarHBondContact CA-O 3.35Å; E76-A196 HydrophobicContact CG-CB 4.01Å; E76-A196 WeakPolarHBondContact OE1-CA 3.47Å; E76-A196 WeakPolarHBondContact OE1-CB 3.3Å
77I76.3Confident71.9Confident1 Ų152.5 Ų52.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-85.1114176.9-48161.3000107.5T79 V81 L89 F117 L119 L193 V194 A196I77-T79 WeakPolarHBondContact CG2-O 3.26Å; I77-V81 HydrophobicContact CD1-CG2 4.31Å; I77-V81 HydrophobicContact CG2-CG2 3.69Å; I77-L89 HydrophobicContact CD1-CD2 3.67Å; I77-L89 HydrophobicContact CG1-CD2 4.38Å; I77-L89 HydrophobicContact CG2-CD2 4.41Å; I77-F117 HydrophobicContact CG2-CD1 4.27Å; I77-L119 HydrophobicContact CB-CD2 4.22Å; I77-L119 HydrophobicContact CG1-CD2 3.73Å; I77-L119 HydrophobicContact CG2-CD2 4.2Å; I77-L193 HydrophobicContact CD1-CB 4.22Å; I77-L193 HydrophobicContact CD1-CD1 4.29Å; I77-L193 HydrophobicContact CD1-CD2 3.94Å; I77-L193 HydrophobicContact CD1-CG 4.39Å; I77-L193 HydrophobicContact CG1-CD2 3.79Å; I77-V194 PolarHBondContact N-O 2.86Å; I77-A196 WeakPolarHBondContact O-CB 3.41Å; I77-A196 PolarHBondContact O-N 3.3Å
78M72.5Confident71.1Confident94 Ų9451 Ų5146%0.46328%0.278SS..  trans-81.1-26.6179.7-58.5-174.972.500112.1E76 K107 S118 L120E76-M78 PolarHBondContact O-N 2.95Å; M78-K107 HydrophobicContact SD-CD 3.93Å; M78-K107 HydrophobicContact SD-CG 4.11Å; M78-S118 PolarHBondContact N-O 2.77Å; M78-L120 HydrophobicContact CG-CB 4.37Å; M78-L120 HydrophobicContact SD-CB 4.33Å
79T70.4Confident70.4Confident34 Ų3449.7 Ų49.721%0.20927%0.271CS..SBendtrans-81.5137.517645.70000110.8I77 V81 F117I77-T79 WeakPolarHBondContact CG2-O 3.26Å; T79-V81 VanDerWaalsContact O-CG2 3.29Å; T79-V81 WeakPolarHBondContact O-CG2 2.97Å; T79-V81 PolarHBondContact O-N 3.42Å; T79-F117 WeakPolarHBondContact OG1-CA 3.32Å; T79-F117 WeakPolarHBondContact OG1-CD1 3.43Å
80P65.5Low69.8Low116 Ų11649 Ų4975%0.75326%0.261SS*.  trans-65.6126.7177.126.8-32.7000109.8
81V62.3Low69Low10 Ų1052.2 Ų52.26%0.06128%0.277CS..  trans-120.4136.5179.7-165.30000108.6I77 T79 L85 L89 F117 Q195I77-V81 HydrophobicContact CD1-CG2 4.31Å; I77-V81 HydrophobicContact CG2-CG2 3.69Å; T79-V81 VanDerWaalsContact O-CG2 3.29Å; T79-V81 WeakPolarHBondContact O-CG2 2.97Å; T79-V81 PolarHBondContact O-N 3.42Å; V81-L85 HydrophobicContact CG1-CB 4.06Å; V81-L89 HydrophobicContact CG1-CD2 4.06Å; V81-L89 HydrophobicContact CG2-CD2 3.84Å; V81-F117 HydrophobicContact CB-CE1 4.38Å; V81-F117 HydrophobicContact CG1-CE1 4.08Å; V81-F117 HydrophobicContact CG2-CD1 3.82Å; V81-F117 HydrophobicContact CG2-CE1 3.56Å; V81-Q195 PolarHBondContact O-NE2 3.45Å
82D58.6Low68.3Low86 Ų8646.3 Ų46.346%0.4625%0.252SS..  trans-60.8128.1169.6-168.6-35.7000109V84 L85 L86D82-V84 PolarHBondContact O-N 3.43Å; D82-V84 WeakPolarHBondContact OD1-CG2 3.26Å; D82-V84 PolarHBondContact OD1-N 3.11Å; D82-L85 HydrophobicContact CB-CD1 4.25Å; D82-L85 HydrophobicContact CB-CG 4.28Å; D82-L85 PolarHBondContact O-N 2.93Å; D82-L86 PolarHBondContact O-N 3.29Å
83P57.4Low67.8Low98 Ų9845.5 Ų45.564%0.63625%0.247SC*.THydrogen-bonded Turntrans-53.2-26.3177.519.4-32.7000113.6L85 L86 P87P83-L85 VanDerWaalsContact C-N 3.31Å; P83-L85 PolarHBondContact O-N 3.49Å; P83-L86 PolarHBondContact O-N 2.78Å; P83-P87 WeakPolarHBondContact O-CD 3.27Å
84V53.5Low67.1Low90 Ų9047.7 Ų47.755%0.54526%0.256SS..THydrogen-bonded Turntrans-65.4-34174.7-179.60000112D82D82-V84 PolarHBondContact O-N 3.43Å; D82-V84 WeakPolarHBondContact OD1-CG2 3.26Å; D82-V84 PolarHBondContact OD1-N 3.11Å
85L60.7Low66Low40 Ų4043.9 Ų43.921%0.20924%0.242CC..THydrogen-bonded Turntrans-87.4-16.2-178.9-64.2177000112.9V81 D82 P83 L88 L89 L113 A506V81-L85 HydrophobicContact CG1-CB 4.06Å; D82-L85 HydrophobicContact CB-CD1 4.25Å; D82-L85 HydrophobicContact CB-CG 4.28Å; D82-L85 PolarHBondContact O-N 2.93Å; P83-L85 VanDerWaalsContact C-N 3.31Å; P83-L85 PolarHBondContact O-N 3.49Å; L85-L88 HydrophobicContact CD2-CD1 4.12Å; L85-L88 CarbonylContact O-C 3.51Å; L85-L88 WeakPolarHBondContact O-CA 3.48Å; L85-L88 WeakPolarHBondContact O-CB 3.5Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L89 PolarHBondContact O-N 3.37Å; L85-L113 HydrophobicContact CB-CD1 4.12Å; L85-A506 HydrophobicContact CD2-CB 4.13Å
86L65.7Low65.3Low31 Ų3147.5 Ų47.516%0.16226%0.256CS..Hα-helixtrans-56.8-41.5-175.3-161.2146000113.6D82 P83 L88 L89 E90D82-L86 PolarHBondContact O-N 3.29Å; P83-L86 PolarHBondContact O-N 2.78Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 3.23Å; L86-E90 PolarHBondContact O-N 3.34Å
87P59.3Low64.8Low20 Ų2045 Ų4513%0.1324%0.244CC..Hα-helixtrans-65.4-34.5173.5-20.432.8000113.2P83 N91 I211 T215P83-P87 WeakPolarHBondContact O-CD 3.27Å; P87-N91 PolarHBondContact O-N 3.3Å; P87-N91 VanDerWaalsContact O-N 3.11Å; P87-N91 PolarHBondContact O-ND2 3.46Å; P87-I211 HydrophobicContact CG-CG2 4.1Å; P87-T215 HydrophobicContact CB-CG2 4.08Å; P87-T215 HydrophobicContact CG-CG2 4.31Å
88L60.1Low64.3Low32 Ų3246.6 Ų46.617%0.16825%0.252CS..Hα-helixtrans-70.7-39.3177-61.8-176.9000110.8L85 L86 N91 S92 L113 H502 A506L85-L88 HydrophobicContact CD2-CD1 4.12Å; L85-L88 CarbonylContact O-C 3.51Å; L85-L88 WeakPolarHBondContact O-CA 3.48Å; L85-L88 WeakPolarHBondContact O-CB 3.5Å; L85-L88 PolarHBondContact O-N 2.99Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.11Å; L88-N91 PolarHBondContact O-N 2.86Å; L88-S92 WeakPolarHBondContact O-CB 3.21Å; L88-S92 PolarHBondContact O-N 3.36Å; L88-L113 HydrophobicContact CB-CD1 4.34Å; L88-L113 HydrophobicContact CB-CD2 3.89Å; L88-H502 HydrophobicContact CD2-CB 3.86Å; L88-A506 HydrophobicContact CD1-CB 4.2Å
89L68.1Low63.7Low0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-64.1-47.3173.7-175.863000110.5I77 V81 L85 L86 N91 S92 L93 A112 L113 F117I77-L89 HydrophobicContact CD1-CD2 3.67Å; I77-L89 HydrophobicContact CG1-CD2 4.38Å; I77-L89 HydrophobicContact CG2-CD2 4.41Å; V81-L89 HydrophobicContact CG1-CD2 4.06Å; V81-L89 HydrophobicContact CG2-CD2 3.84Å; L85-L89 PolarHBondContact O-N 3.37Å; L86-L89 PolarHBondContact O-N 3.23Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.81Å; L89-S92 PolarHBondContact O-N 3.49Å; L89-S92 VanDerWaalsContact O-N 3.11Å; L89-L93 HydrophobicContact CD1-CD1 4.12Å; L89-L93 HydrophobicContact CD1-CD2 4.2Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CD2-CD1 4.46Å; L89-L93 HydrophobicContact CG-CD1 3.88Å; L89-L93 HydrophobicContact CG-CG 4.06Å; L89-L93 WeakPolarHBondContact O-CB 3.31Å; L89-L93 VanDerWaalsContact O-CG 3.26Å; L89-L93 WeakPolarHBondContact O-CG 3.01Å; L89-L93 PolarHBondContact O-N 2.91Å; L89-A112 HydrophobicContact CD1-CB 3.53Å; L89-L113 HydrophobicContact CB-CD1 3.93Å; L89-L113 HydrophobicContact CD1-CD1 4.32Å; L89-F117 HydrophobicContact CD1-CD1 4.1Å; L89-F117 HydrophobicContact CD1-CD2 3.94Å; L89-F117 HydrophobicContact CD1-CE1 4.33Å; L89-F117 HydrophobicContact CD1-CE2 4.19Å; L89-F117 HydrophobicContact CD1-CG 3.92Å; L89-F117 HydrophobicContact CD1-CZ 4.37Å; L89-F117 HydrophobicContact CD2-CD1 3.73Å; L89-F117 HydrophobicContact CD2-CE1 3.94Å; L89-F117 HydrophobicContact CD2-CG 4.32Å
90E67.5Low63.8Low57 Ų5746 Ų4627%0.26625%0.249SC..Hα-helixtrans-53-49.9175.6-167.5179.8169.400111.8L86 L93 H94 L193L86-E90 PolarHBondContact O-N 3.34Å; E90-L93 PolarHBondContact O-N 3.5Å; E90-H94 VanDerWaalsContact O-CB 3.31Å; E90-H94 WeakPolarHBondContact O-CB 3.44Å; E90-H94 PolarHBondContact O-N 3.47Å; E90-L193 VanDerWaalsContact CA-CD1 3.42Å; E90-L193 HydrophobicContact CB-CD1 3.48Å; E90-L193 VanDerWaalsContact CB-CD1 3.48Å; E90-L193 HydrophobicContact CG-CD1 3.73Å; E90-L193 HydrophobicContact CG-CG 4.47Å
91N61.2Low64.5Low77 Ų7741.6 Ų41.641%0.41222%0.218SC..Hα-helixtrans-59.1-53.5176.2-75.9-48.5000110.2P87 L88 L89 L93 H94 Y95P87-N91 PolarHBondContact O-N 3.3Å; P87-N91 VanDerWaalsContact O-N 3.11Å; P87-N91 PolarHBondContact O-ND2 3.46Å; L88-N91 PolarHBondContact O-N 2.86Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.81Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.4Å; N91-H94 PolarHBondContact O-N 3.08Å; N91-Y95 HydrophobicContact CB-CE2 4.27Å; N91-Y95 WeakPolarHBondContact O-CD2 3.42Å; N91-Y95 PolarHBondContact O-N 2.92Å
92S66.1Low65.3Low1 Ų141.1 Ų41.11%0.00722%0.215CC..Hα-helixtrans-55.4-45.6-179.5-171.10000113.1L88 L89 Y95 R96 Y543L88-S92 WeakPolarHBondContact O-CB 3.21Å; L88-S92 PolarHBondContact O-N 3.36Å; L89-S92 PolarHBondContact O-N 3.49Å; L89-S92 VanDerWaalsContact O-N 3.11Å; S92-Y95 PolarHBondContact O-N 3.48Å; S92-R96 PolarHBondContact O-N 3.39Å; S92-Y543 PolarHBondContact OG-OH 3.18Å
93L70.9Confident66.3Low0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-66.1-44.6178.3-67.5-176.4000112L89 E90 N91 Y95 R96 L97 I110 A112 L119 L191 L193L89-L93 HydrophobicContact CD1-CD1 4.12Å; L89-L93 HydrophobicContact CD1-CD2 4.2Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CD2-CD1 4.46Å; L89-L93 HydrophobicContact CG-CD1 3.88Å; L89-L93 HydrophobicContact CG-CG 4.06Å; L89-L93 WeakPolarHBondContact O-CB 3.31Å; L89-L93 VanDerWaalsContact O-CG 3.26Å; L89-L93 WeakPolarHBondContact O-CG 3.01Å; L89-L93 PolarHBondContact O-N 2.91Å; E90-L93 PolarHBondContact O-N 3.5Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.4Å; L93-Y95 PolarHBondContact O-N 3.02Å; L93-Y95 VanDerWaalsContact O-N 3.1Å; L93-R96 PolarHBondContact O-N 3.47Å; L93-R96 VanDerWaalsContact O-N 3.15Å; L93-L97 VanDerWaalsContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 2.99Å; L93-I110 HydrophobicContact CD2-CB 4.21Å; L93-I110 HydrophobicContact CD2-CD1 4.19Å; L93-I110 HydrophobicContact CD2-CG2 3.96Å; L93-A112 HydrophobicContact CD2-CB 4.49Å; L93-L119 HydrophobicContact CD1-CD1 3.73Å; L93-L119 HydrophobicContact CD1-CD2 3.67Å; L93-L119 HydrophobicContact CD1-CG 4.36Å; L93-L119 HydrophobicContact CD2-CD1 3.51Å; L93-L119 HydrophobicContact CG-CD1 4.24Å; L93-L191 HydrophobicContact CB-CD1 4.07Å; L93-L193 HydrophobicContact CD1-CD1 4.34Å; L93-L193 HydrophobicContact CD1-CD2 3.63Å
94H66Low67.4Low45 Ų4532.9 Ų32.921%0.20817%0.167CC..Hα-helixtrans-54.4-33.8176.6-175.465.5000111.8E90 N91 Q98 S187 T189 L191E90-H94 VanDerWaalsContact O-CB 3.31Å; E90-H94 WeakPolarHBondContact O-CB 3.44Å; E90-H94 PolarHBondContact O-N 3.47Å; N91-H94 PolarHBondContact O-N 3.08Å; H94-Q98 PolarHBondContact CD2-NE2 3.01Å; H94-Q98 PolarHBondContact NE2-NE2 3.21Å; H94-Q98 WeakPolarHBondContact O-CG 3.28Å; H94-Q98 PolarHBondContact O-N 3.36Å; H94-Q98 PolarHBondContact O-NE2 3.4Å; H94-S187 PolarHBondContact NE2-O 3.24Å; H94-T189 PolarHBondContact CE1-O 3.14Å; H94-T189 PolarHBondContact ND1-O 2.82Å; H94-L191 HydrophobicContact CB-CD1 3.95Å; H94-L191 HydrophobicContact CB-CG 4.47Å
95Y61Low68.4Low30 Ų3030.4 Ų30.412%0.11816%0.159CC..Hα-helixtrans-90.4-28.5178.7-64.4-71.1000115.5N91 S92 L93 Q98 K495 R499 I546N91-Y95 HydrophobicContact CB-CE2 4.27Å; N91-Y95 WeakPolarHBondContact O-CD2 3.42Å; N91-Y95 PolarHBondContact O-N 2.92Å; S92-Y95 PolarHBondContact O-N 3.48Å; L93-Y95 PolarHBondContact O-N 3.02Å; L93-Y95 VanDerWaalsContact O-N 3.1Å; Y95-Q98 WeakPolarHBondContact O-CB 3.32Å; Y95-K495 WeakPolarHBondContact OH-CE 3.16Å; Y95-R499 VanDerWaalsContact CD1-NH1 3.35Å; Y95-R499 HydrophobicContact CD2-CG 3.95Å; Y95-R499 HydrophobicContact CE2-CB 4.38Å; Y95-R499 HydrophobicContact CE2-CG 3.68Å; Y95-R499 VanDerWaalsContact CG-NE 3.32Å; Y95-I546 HydrophobicContact CD1-CD1 3.73Å; Y95-I546 HydrophobicContact CE1-CD1 3.48Å; Y95-I546 VanDerWaalsContact CE1-CD1 3.48Å
96R67Low69.1Low78 Ų7829 Ų2929%0.29415%0.152SC..Hα-helixtrans-76.1-34.4174.7-78.8-170.6172.8-121.61.9112.2S92 L93 Q98 I110 R111 Y543S92-R96 PolarHBondContact O-N 3.39Å; L93-R96 PolarHBondContact O-N 3.47Å; L93-R96 VanDerWaalsContact O-N 3.15Å; R96-Q98 VanDerWaalsContact C-N 3.27Å; R96-I110 HydrophobicContact CB-CG2 4.27Å; R96-I110 VanDerWaalsContact CD-CG2 3.43Å; R96-I110 HydrophobicContact CG-CG2 4.5Å; R96-R111 WeakPolarHBondContact CD-O 3.37Å; R96-R111 PolarHBondContact NE-O 3.16Å; R96-R111 PolarHBondContact NH1-O 3.25Å; R96-R111 PolarHBondContact NH2-O 2.82Å; R96-Y543 PolarHBondContact NE-OH 2.85Å; R96-Y543 PolarHBondContact NH2-OH 2.7Å
97L70.5Confident69.5Low4 Ų432 Ų322%0.02116%0.164CC..SBendtrans-79.5-12.3174.5-68.9175.9000111.9L75 L93 M99 S100 T102 I110 I185 L191L75-L97 HydrophobicContact CD1-CD1 3.67Å; L93-L97 VanDerWaalsContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-M99 PolarHBondContact O-N 2.99Å; L97-S100 WeakPolarHBondContact O-CB 3.45Å; L97-S100 PolarHBondContact O-N 2.91Å; L97-S100 VanDerWaalsContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.17Å; L97-T102 HydrophobicContact CD2-CG2 4.28Å; L97-I110 HydrophobicContact CD1-CD1 4.46Å; L97-I110 HydrophobicContact CD2-CD1 3.59Å; L97-I110 HydrophobicContact CG-CD1 3.97Å; L97-I185 HydrophobicContact CB-CD1 3.75Å; L97-I185 HydrophobicContact CB-CG2 4.32Å; L97-I185 HydrophobicContact CD1-CD1 4.47Å; L97-I185 HydrophobicContact CD2-CD1 4.21Å; L97-I185 HydrophobicContact CG-CD1 4.37Å; L97-I185 WeakPolarHBondContact O-CB 3.28Å; L97-I185 WeakPolarHBondContact O-CG2 3.26Å; L97-L191 HydrophobicContact CD1-CD1 4Å; L97-L191 HydrophobicContact CD1-CD2 4.44Å
98Q65Low70.1Confident36 Ų3631.6 Ų31.617%0.16816%0.16CC..THydrogen-bonded Turntrans-58.4131.5176.9-107.2166.64800111.8H94 Y95 R96 S100H94-Q98 PolarHBondContact CD2-NE2 3.01Å; H94-Q98 PolarHBondContact NE2-NE2 3.21Å; H94-Q98 WeakPolarHBondContact O-CG 3.28Å; H94-Q98 PolarHBondContact O-N 3.36Å; H94-Q98 PolarHBondContact O-NE2 3.4Å; Y95-Q98 WeakPolarHBondContact O-CB 3.32Å; R96-Q98 VanDerWaalsContact C-N 3.27Å; Q98-S100 PolarHBondContact O-N 2.84Å; Q98-S100 VanDerWaalsContact O-N 3.17Å
99M60.3Low70.6Confident93 Ų9331.2 Ų31.246%0.45816%0.159SC..THydrogen-bonded Turntrans59.418.6-178.2-55.8-64.6174.700114.2M1 L97 I185M1-M99 HydrophobicContact CE-CB 4.09Å; M1-M99 WeakPolarHBondContact CE-O 3.27Å; L97-M99 PolarHBondContact O-N 2.99Å; M99-I185 WeakPolarHBondContact CA-O 3.5Å; M99-I185 PolarHBondContact N-O 3.21Å
100S73.1Confident70.7Confident21 Ų2131.7 Ų31.715%0.14716%0.162CC..  trans-92.7169.9170.383.50000111.6L97 Q98 I185L97-S100 WeakPolarHBondContact O-CB 3.45Å; L97-S100 PolarHBondContact O-N 2.91Å; L97-S100 VanDerWaalsContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.17Å; Q98-S100 PolarHBondContact O-N 2.84Å; Q98-S100 VanDerWaalsContact O-N 3.17Å; S100-I185 PolarHBondContact O-N 3.36Å
101H79.2Confident70.6Confident24 Ų2434.2 Ų34.211%0.11117%0.169CC..EExtended strand (participates in β ladder)trans-113.7141.2173.5-61.488.1000108.9V22 P30 V182 F183V22-H101 HydrophobicContact CG1-CB 4.31Å; V22-H101 WeakPolarHBondContact CG2-NE2 3.24Å; P30-H101 HydrophobicContact CB-CB 4.04Å; P30-H101 HydrophobicContact CG-CB 4.32Å; P30-H101 WeakPolarHBondContact CG-O 3.43Å; H101-V182 HydrophobicContact CB-CG1 3.74Å; H101-F183 CarbonylContact C-O 3.54Å; H101-F183 VanDerWaalsContact CA-O 3.28Å; H101-F183 WeakPolarHBondContact CA-O 3.41Å
102T80.4Confident70.8Confident0 Ų030.6 Ų30.60%015%0.149CC..EExtended strand (participates in β ladder)trans-144152.6-176.258.10000111.3L97 I121 F183 I185L97-T102 HydrophobicContact CD2-CG2 4.28Å; T102-I121 HydrophobicContact CG2-CD1 3.73Å; T102-F183 PolarHBondContact N-O 3.47Å; T102-F183 WeakPolarHBondContact O-CB 3.41Å; T102-F183 PolarHBondContact O-N 3.19Å; T102-I185 HydrophobicContact CG2-CD1 3.46Å; T102-I185 VanDerWaalsContact CG2-CD1 3.46Å; T102-I185 HydrophobicContact CG2-CG1 4.3Å
103M79.5Confident70.5Confident1 Ų130.8 Ų30.81%0.00515%0.15CC..  trans-117.4156.3172.5-67-170.3-51.700110.2V24 K28 P30 T106 I121 Q180 V182V24-M103 HydrophobicContact CB-SD 4.5Å; V24-M103 HydrophobicContact CG1-CE 3.62Å; V24-M103 HydrophobicContact CG1-SD 3.94Å; V24-M103 HydrophobicContact CG2-CE 4.43Å; V24-M103 HydrophobicContact CG2-SD 3.69Å; K28-M103 WeakPolarHBondContact O-CE 3.4Å; P30-M103 HydrophobicContact CB-CG 4.36Å; P30-M103 HydrophobicContact CG-CG 4.04Å; M103-T106 HydrophobicContact CB-CG2 3.66Å; M103-T106 HydrophobicContact CE-CG2 4.12Å; M103-T106 PolarHBondContact O-OG1 3.23Å; M103-I121 WeakPolarHBondContact O-CB 3.37Å; M103-Q180 HydrophobicContact SD-CB 4.47Å; M103-V182 HydrophobicContact CG-CB 4.46Å; M103-V182 HydrophobicContact CG-CG2 3.79Å; M103-V182 HydrophobicContact SD-CG2 3.89Å
104V79.5Confident69.9Low11 Ų1131.3 Ų31.37%0.06716%0.156CC..THydrogen-bonded Turntrans-76.6137177.6175.40000109.3I121 A124 F132 I134 Q180 F183V104-I121 HydrophobicContact CG2-CG2 4.45Å; V104-A124 HydrophobicContact CG2-CB 3.57Å; V104-F132 HydrophobicContact CG2-CB 4.49Å; V104-I134 HydrophobicContact CG1-CB 4.25Å; V104-I134 HydrophobicContact CG1-CG1 3.54Å; V104-Q180 PolarHBondContact O-OE1 2.88Å; V104-F183 HydrophobicContact CG2-CD2 4.05Å; V104-F183 HydrophobicContact CG2-CE2 3.61Å; V104-F183 HydrophobicContact CG2-CZ 4.45Å
105G75Confident69.8Low38 Ų3833.2 Ų33.239%0.39217%0.167SC..THydrogen-bonded Turntrans88.3-2.6-177.100000115.1I121G105-I121 PolarHBondContact N-O 2.82Å
106T75Confident70.2Confident10 Ų1034.1 Ų34.16%0.06117%0.173CC..  trans-85.9136.2179.866.30000111.4K28 M103 I121K28-T106 WeakPolarHBondContact O-CG2 3.37Å; M103-T106 HydrophobicContact CB-CG2 3.66Å; M103-T106 HydrophobicContact CE-CG2 4.12Å; M103-T106 PolarHBondContact O-OG1 3.23Å; T106-I121 PolarHBondContact O-N 3.23Å
107K75.4Confident70.5Confident93 Ų9331 Ų3140%0.40416%0.161SC..EExtended strand (participates in β ladder)trans-85.3126.9167.1-171.1-179.8178.8-173.70108.8M78 S118 L119M78-K107 HydrophobicContact SD-CD 3.93Å; M78-K107 HydrophobicContact SD-CG 4.11Å; K107-S118 WeakPolarHBondContact CE-OG 3.46Å; K107-L119 CarbonylContact C-O 3.4Å; K107-L119 WeakPolarHBondContact CA-O 3Å
108Q71.9Confident70.8Confident12 Ų1231.8 Ų31.86%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-121.4128.3175.9-65.8-168.8-13.400109.7I110 L119Q108-I110 HydrophobicContact CB-CG1 4.43Å; Q108-L119 PolarHBondContact N-O 2.97Å; Q108-L119 PolarHBondContact O-N 2.91Å
109T71.1Confident71.4Confident24 Ų2430.1 Ų30.115%0.14716%0.159CC..EExtended strand (participates in β ladder)trans-90.6117.3171.445.90000109S49 K50 F117S49-T109 PolarHBondContact O-OG1 3.45Å; K50-T109 VanDerWaalsContact C-OG1 3.27Å; K50-T109 WeakPolarHBondContact CA-O 3.23Å; K50-T109 PolarHBondContact O-N 3.44Å; K50-T109 PolarHBondContact O-OG1 2.98Å; T109-F117 WeakPolarHBondContact CA-O 3.46Å
110I69.1Low72.4Confident10 Ų1026.8 Ų26.85%0.05114%0.143CC..EExtended strand (participates in β ladder)trans-121.4122.2179.8-57.5-172.5000108.4L93 R96 L97 Q108 A112 F117 L119L93-I110 HydrophobicContact CD2-CB 4.21Å; L93-I110 HydrophobicContact CD2-CD1 4.19Å; L93-I110 HydrophobicContact CD2-CG2 3.96Å; R96-I110 HydrophobicContact CB-CG2 4.27Å; R96-I110 VanDerWaalsContact CD-CG2 3.43Å; R96-I110 HydrophobicContact CG-CG2 4.5Å; L97-I110 HydrophobicContact CD1-CD1 4.46Å; L97-I110 HydrophobicContact CD2-CD1 3.59Å; L97-I110 HydrophobicContact CG-CD1 3.97Å; Q108-I110 HydrophobicContact CB-CG1 4.43Å; I110-A112 PolarHBondContact O-N 3.49Å; I110-F117 PolarHBondContact N-O 2.89Å; I110-F117 PolarHBondContact O-N 2.73Å; I110-L119 HydrophobicContact CB-CD1 4.12Å; I110-L119 HydrophobicContact CD1-CD1 3.59Å; I110-L119 HydrophobicContact CG1-CD1 3.92Å
111R66.3Low72.8Confident111 Ų11125.8 Ų25.842%0.41914%0.136SC..EExtended strand (participates in β ladder)trans-68.9118.6168.1-165.2176.1179.7-171.53109R96 D115R96-R111 WeakPolarHBondContact CD-O 3.37Å; R96-R111 PolarHBondContact NE-O 3.16Å; R96-R111 PolarHBondContact NH1-O 3.25Å; R96-R111 PolarHBondContact NH2-O 2.82Å; R111-D115 CarbonylContact C-O 3.55Å; R111-D115 WeakPolarHBondContact CA-O 3.13Å; R111-D115 WeakPolarHBondContact CG-O 3.26Å
112A64.2Low73Confident0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-138.7152.1174.700000108.4L89 L93 I110 G114 D115 F117L89-A112 HydrophobicContact CD1-CB 3.53Å; L93-A112 HydrophobicContact CD2-CB 4.49Å; I110-A112 PolarHBondContact O-N 3.49Å; A112-G114 PolarHBondContact O-N 2.76Å; A112-D115 PolarHBondContact N-O 2.79Å; A112-D115 PolarHBondContact O-N 3.08Å; A112-F117 HydrophobicContact CB-CD2 3.86Å; A112-F117 HydrophobicContact CB-CE2 4.21Å; A112-F117 WeakPolarHBondContact O-CE2 3.4Å
113L60.5Low73.1Confident5 Ų528.4 Ų28.43%0.02615%0.151CC..THydrogen-bonded Turntrans53.728.2175-48.6179.2000114.5L85 L88 L89 F117 A506 S507L85-L113 HydrophobicContact CB-CD1 4.12Å; L88-L113 HydrophobicContact CB-CD1 4.34Å; L88-L113 HydrophobicContact CB-CD2 3.89Å; L89-L113 HydrophobicContact CB-CD1 3.93Å; L89-L113 HydrophobicContact CD1-CD1 4.32Å; L113-F117 HydrophobicContact CB-CE2 4.46Å; L113-A506 HydrophobicContact CB-CB 3.63Å; L113-A506 HydrophobicContact CD1-CB 4.17Å; L113-A506 HydrophobicContact CD2-CB 3.38Å; L113-A506 HydrophobicContact CG-CB 3.88Å; L113-S507 WeakPolarHBondContact O-CA 3.33Å
114G58.6Low73.2Confident11 Ų1128.3 Ų28.311%0.11315%0.15CC..THydrogen-bonded Turntrans87-14-176.300000116.1A112A112-G114 PolarHBondContact O-N 2.76Å
115D64.2Low73.4Confident85 Ų8530 Ų3046%0.45516%0.158SC..EExtended strand (participates in β ladder)trans-124.5168.2-171.8-162.67.7000112.8R111 A112 F117R111-D115 CarbonylContact C-O 3.55Å; R111-D115 WeakPolarHBondContact CA-O 3.13Å; R111-D115 WeakPolarHBondContact CG-O 3.26Å; A112-D115 PolarHBondContact N-O 2.79Å; A112-D115 PolarHBondContact O-N 3.08Å; D115-F117 HydrophobicContact CB-CE2 4.02Å; D115-F117 HydrophobicContact CB-CZ 4.48Å; D115-F117 WeakPolarHBondContact O-CD2 3.33Å
116H68.6Low73.7Confident50 Ų5028.2 Ų28.223%0.23114%0.14CC..EExtended strand (participates in β ladder)trans-95.1119.5-178.6-74.4-91000112.3
117F73Confident73.4Confident13 Ų1330.5 Ų30.56%0.05716%0.16CC..EExtended strand (participates in β ladder)trans-106.2124.3178-65.7-94.8000110.4I77 T79 V81 L89 T109 I110 A112 L113 D115I77-F117 HydrophobicContact CG2-CD1 4.27Å; T79-F117 WeakPolarHBondContact OG1-CA 3.32Å; T79-F117 WeakPolarHBondContact OG1-CD1 3.43Å; V81-F117 HydrophobicContact CB-CE1 4.38Å; V81-F117 HydrophobicContact CG1-CE1 4.08Å; V81-F117 HydrophobicContact CG2-CD1 3.82Å; V81-F117 HydrophobicContact CG2-CE1 3.56Å; L89-F117 HydrophobicContact CD1-CD1 4.1Å; L89-F117 HydrophobicContact CD1-CD2 3.94Å; L89-F117 HydrophobicContact CD1-CE1 4.33Å; L89-F117 HydrophobicContact CD1-CE2 4.19Å; L89-F117 HydrophobicContact CD1-CG 3.92Å; L89-F117 HydrophobicContact CD1-CZ 4.37Å; L89-F117 HydrophobicContact CD2-CD1 3.73Å; L89-F117 HydrophobicContact CD2-CE1 3.94Å; L89-F117 HydrophobicContact CD2-CG 4.32Å; T109-F117 WeakPolarHBondContact CA-O 3.46Å; I110-F117 PolarHBondContact N-O 2.89Å; I110-F117 PolarHBondContact O-N 2.73Å; A112-F117 HydrophobicContact CB-CD2 3.86Å; A112-F117 HydrophobicContact CB-CE2 4.21Å; A112-F117 WeakPolarHBondContact O-CE2 3.4Å; L113-F117 HydrophobicContact CB-CE2 4.46Å; D115-F117 HydrophobicContact CB-CE2 4.02Å; D115-F117 HydrophobicContact CB-CZ 4.48Å; D115-F117 WeakPolarHBondContact O-CD2 3.33Å
118S77.2Confident73.4Confident19 Ų1930.5 Ų30.513%0.13317%0.172CC..EExtended strand (participates in β ladder)trans-85.9121.7170.8-73.80000109.7M78 K107M78-S118 PolarHBondContact N-O 2.77Å; K107-S118 WeakPolarHBondContact CE-OG 3.46Å
119L77.8Confident73.4Confident1 Ų132 Ų321%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-119.2129.9-177.1-62.3162000110.1E76 I77 L93 K107 Q108 I110 L193E76-L119 WeakPolarHBondContact O-CA 3.18Å; I77-L119 HydrophobicContact CB-CD2 4.22Å; I77-L119 HydrophobicContact CG1-CD2 3.73Å; I77-L119 HydrophobicContact CG2-CD2 4.2Å; L93-L119 HydrophobicContact CD1-CD1 3.73Å; L93-L119 HydrophobicContact CD1-CD2 3.67Å; L93-L119 HydrophobicContact CD1-CG 4.36Å; L93-L119 HydrophobicContact CD2-CD1 3.51Å; L93-L119 HydrophobicContact CG-CD1 4.24Å; K107-L119 CarbonylContact C-O 3.4Å; K107-L119 WeakPolarHBondContact CA-O 3Å; Q108-L119 PolarHBondContact N-O 2.97Å; Q108-L119 PolarHBondContact O-N 2.91Å; I110-L119 HydrophobicContact CB-CD1 4.12Å; I110-L119 HydrophobicContact CD1-CD1 3.59Å; I110-L119 HydrophobicContact CG1-CD1 3.92Å; L119-L193 HydrophobicContact CD2-CD2 4.48Å
120L81.8Confident73.7Confident23 Ų2336.2 Ų36.212%0.1221%0.208CC..EExtended strand (participates in β ladder)trans-103.2130.6171.5179.466.6000109.7L75 E76 M78 V122 I134L75-L120 CarbonylContact C-O 3.58Å; L75-L120 WeakPolarHBondContact CA-O 3.32Å; E76-L120 HydrophobicContact CB-CB 4.32Å; E76-L120 PolarHBondContact N-O 2.94Å; E76-L120 PolarHBondContact O-N 3.48Å; M78-L120 HydrophobicContact CG-CB 4.37Å; M78-L120 HydrophobicContact SD-CB 4.33Å; L120-V122 HydrophobicContact CD2-CG2 4.49Å; L120-V122 HydrophobicContact CG-CG2 4.45Å; L120-V122 PolarHBondContact O-N 2.79Å; L120-I134 HydrophobicContact CD1-CD1 4.36Å; L120-I134 HydrophobicContact CD2-CD1 4.3Å; L120-I134 HydrophobicContact CG-CD1 4.28Å
121I81.3Confident74.2Confident1 Ų138.6 Ų38.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-89.1103.2178-52.8-172.8000109L75 T102 M103 V104 G105 T106 I134L75-I121 HydrophobicContact CD2-CB 4.29Å; L75-I121 HydrophobicContact CD2-CD1 4.33Å; L75-I121 HydrophobicContact CD2-CG1 3.67Å; L75-I121 HydrophobicContact CD2-CG2 4.37Å; T102-I121 HydrophobicContact CG2-CD1 3.73Å; M103-I121 WeakPolarHBondContact O-CB 3.37Å; V104-I121 HydrophobicContact CG2-CG2 4.45Å; G105-I121 PolarHBondContact N-O 2.82Å; T106-I121 PolarHBondContact O-N 3.23Å; I121-I134 WeakPolarHBondContact O-CD1 3.3Å
122V81.8Confident74.8Confident35 Ų3536 Ų3621%0.21222%0.217CC..EExtended strand (participates in β ladder)trans-84.1-41.5-171.6-1790000112.7R74 E76 L120 I134R74-V122 PolarHBondContact O-N 3.33Å; E76-V122 HydrophobicContact CB-CG2 3.61Å; L120-V122 HydrophobicContact CD2-CG2 4.49Å; L120-V122 HydrophobicContact CG-CG2 4.45Å; L120-V122 PolarHBondContact O-N 2.79Å; V122-I134 HydrophobicContact CB-CD1 4.48Å; V122-I134 VanDerWaalsContact O-CG1 3.32Å; V122-I134 WeakPolarHBondContact O-CG1 3.44Å; V122-I134 PolarHBondContact O-N 3.33Å
123E82.5Confident75.4Confident43 Ų4339.4 Ų39.420%0.20124%0.24CC..EExtended strand (participates in β ladder)trans-152.4141.2-175.4-176.4-174.517300109.9R74 S131 F132 P133R74-E123 HydrophobicContact CB-CB 3.96Å; R74-E123 PolarHBondContact N-O 2.99Å; R74-E123 PolarHBondContact O-N 3.16Å; E123-S131 WeakPolarHBondContact OE1-CB 3.45Å; E123-S131 PolarHBondContact OE1-OG 2.97Å; E123-F132 WeakPolarHBondContact CA-O 3.43Å; E123-P133 HydrophobicContact CG-CB 4.35Å
124A82.8Confident75.9Confident0 Ų041.9 Ų41.90%025%0.252CS..EExtended strand (participates in β ladder)trans-122.3130.4172.500000110.7L73 V104 F132 F183L73-A124 HydrophobicContact CD2-CB 3.35Å; V104-A124 HydrophobicContact CG2-CB 3.57Å; A124-F132 PolarHBondContact N-O 2.76Å; A124-F132 WeakPolarHBondContact O-CB 3.31Å; A124-F132 PolarHBondContact O-N 2.71Å; A124-F183 HydrophobicContact CB-CD1 3.74Å; A124-F183 HydrophobicContact CB-CD2 3.66Å; A124-F183 HydrophobicContact CB-CE1 3.68Å; A124-F183 HydrophobicContact CB-CE2 3.62Å; A124-F183 HydrophobicContact CB-CG 3.72Å; A124-F183 HydrophobicContact CB-CZ 3.63Å
125I82.3Confident75.9Confident46 Ų4648.9 Ų48.924%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-102.9124.4171.6-53.9-174.9000107.8A70 K71 S72 E130A70-I125 CarbonylContact C-O 3.57Å; K71-I125 PolarHBondContact N-O 3.15Å; S72-I125 PolarHBondContact N-O 3.29Å; S72-I125 PolarHBondContact O-N 3.5Å; S72-I125 WeakPolarHBondContact OG-CB 3.33Å; S72-I125 WeakPolarHBondContact OG-CD1 3.33Å; I125-E130 CarbonylContact C-O 3.56Å; I125-E130 VanDerWaalsContact CA-O 3.32Å; I125-E130 WeakPolarHBondContact CA-O 3.26Å
126S81.3Confident74.6Confident0 Ų051.5 Ų51.50%030%0.296CS..EExtended strand (participates in β ladder)trans-68.7164.5177.272.20000112.3I68 P69 K71 S128 G129 E130I68-S126 VanDerWaalsContact CG2-CB 3.47Å; P69-S126 CarbonylContact O-C 3.59Å; K71-S126 VanDerWaalsContact CB-O 3.24Å; K71-S126 WeakPolarHBondContact CB-O 3.35Å; S126-S128 PolarHBondContact O-N 2.95Å; S126-S128 PolarHBondContact OG-N 3.18Å; S126-S128 PolarHBondContact OG-OG 3.02Å; S126-G129 PolarHBondContact O-N 3.19Å; S126-G129 PolarHBondContact OG-N 3.11Å; S126-E130 PolarHBondContact N-O 3.26Å; S126-E130 WeakPolarHBondContact OG-CB 3.11Å; S126-E130 PolarHBondContact OG-N 3.21Å; S126-E130 PolarHBondContact OG-O 3.23Å
127A70.5Confident73.1Confident59 Ų5953.7 Ų53.749%0.48831%0.309SS..THydrogen-bonded Turntrans-58.1-33.2170.400000112.9P69 G129P69-A127 HydrophobicContact CB-CB 4.24Å; P69-A127 HydrophobicContact CG-CB 3.83Å; P69-A127 PolarHBondContact O-N 2.92Å; A127-G129 PolarHBondContact O-N 2.63Å
128S74Confident71.1Confident93 Ų9364.2 Ų64.265%0.6535%0.348SS*.THydrogen-bonded Turntrans-72.1-11.2173.754.90000113.5S126S126-S128 PolarHBondContact O-N 2.95Å; S126-S128 PolarHBondContact OG-N 3.18Å; S126-S128 PolarHBondContact OG-OG 3.02Å
129G72Confident68.8Low43 Ų4364.9 Ų64.944%0.44336%0.357SS..  trans94.15.1178.800000114.9S126 A127S126-G129 PolarHBondContact O-N 3.19Å; S126-G129 PolarHBondContact OG-N 3.11Å; A127-G129 PolarHBondContact O-N 2.63Å
130E77.8Confident66.5Low113 Ų11372 Ų7253%0.52840%0.401SS..  trans-73130.4174.2-64175.4172.100110.1I125 S126 F132I125-E130 CarbonylContact C-O 3.56Å; I125-E130 VanDerWaalsContact CA-O 3.32Å; I125-E130 WeakPolarHBondContact CA-O 3.26Å; S126-E130 PolarHBondContact N-O 3.26Å; S126-E130 WeakPolarHBondContact OG-CB 3.11Å; S126-E130 PolarHBondContact OG-N 3.21Å; S126-E130 PolarHBondContact OG-O 3.23Å; E130-F132 HydrophobicContact CB-CD2 4.47Å; E130-F132 HydrophobicContact CB-CE2 3.72Å; E130-F132 HydrophobicContact CB-CZ 4.25Å
131S78.9Confident64.2Low60 Ų6076.3 Ų76.342%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-91.7132.5175.1164.30000110.7E123 P133E123-S131 WeakPolarHBondContact OE1-CB 3.45Å; E123-S131 PolarHBondContact OE1-OG 2.97Å; S131-P133 WeakPolarHBondContact O-CD 3.37Å
132F79Confident61.8Low55 Ų5583.3 Ų83.324%0.24146%0.46CS..EExtended strand (participates in β ladder)trans-118.987.3175.4-64-95.6000108.5I68 V104 E123 A124 E130 P181 F183I68-F132 HydrophobicContact CD1-CE2 4.19Å; I68-F132 HydrophobicContact CD1-CZ 3.9Å; V104-F132 HydrophobicContact CG2-CB 4.49Å; E123-F132 WeakPolarHBondContact CA-O 3.43Å; A124-F132 PolarHBondContact N-O 2.76Å; A124-F132 WeakPolarHBondContact O-CB 3.31Å; A124-F132 PolarHBondContact O-N 2.71Å; E130-F132 HydrophobicContact CB-CD2 4.47Å; E130-F132 HydrophobicContact CB-CE2 3.72Å; E130-F132 HydrophobicContact CB-CZ 4.25Å; F132-P181 HydrophobicContact CD1-CG 3.96Å; F132-P181 HydrophobicContact CE1-CG 4.03Å; F132-F183 HydrophobicContact CB-CE2 4.31Å; F132-F183 HydrophobicContact CB-CZ 3.67Å; F132-F183 HydrophobicContact CD1-CZ 4.18Å; F132-F183 AromaticContact CD2-CE1 3.74Å; F132-F183 HydrophobicContact CD2-CE1 3.74Å; F132-F183 AromaticContact CD2-CZ 3.53Å; F132-F183 HydrophobicContact CD2-CZ 3.53Å; F132-F183 HydrophobicContact CE2-CE1 4.17Å; F132-F183 HydrophobicContact CE2-CZ 4.19Å; F132-F183 HydrophobicContact CG-CE1 4.23Å; F132-F183 AromaticContact CG-CZ 3.53Å; F132-F183 HydrophobicContact CG-CZ 3.53Å
133P78.3Confident59.2Low72 Ų7290.8 Ų90.847%0.46849%0.49SS..EExtended strand (participates in β ladder)trans-74.9160.1174.331.2-34.4000111.4E123 S131 Q135E123-P133 HydrophobicContact CG-CB 4.35Å; S131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-Q135 PolarHBondContact O-N 3.39Å
134I69.6Low56.7Low57 Ų5796.6 Ų96.629%0.29252%0.517SS..  trans-53.8112.7162.9-80.3174.5000107.1V104 L120 I121 V122 N136V104-I134 HydrophobicContact CG1-CB 4.25Å; V104-I134 HydrophobicContact CG1-CG1 3.54Å; L120-I134 HydrophobicContact CD1-CD1 4.36Å; L120-I134 HydrophobicContact CD2-CD1 4.3Å; L120-I134 HydrophobicContact CG-CD1 4.28Å; I121-I134 WeakPolarHBondContact O-CD1 3.3Å; V122-I134 HydrophobicContact CB-CD1 4.48Å; V122-I134 VanDerWaalsContact O-CG1 3.32Å; V122-I134 WeakPolarHBondContact O-CG1 3.44Å; V122-I134 PolarHBondContact O-N 3.33Å; I134-N136 PolarHBondContact O-N 3.28Å
135Q58.6Low54Low158 Ų158103.8 Ų103.874%0.73856%0.555SS**  trans-65129.8164.1-67.3-179.2-3.400106.5P133 I137P133-Q135 PolarHBondContact O-N 3.39Å; Q135-I137 PolarHBondContact O-N 3.22Å
136N38.4Very low51.5Low140 Ų140104.8 Ų104.875%0.74957%0.566SS**  trans-55.182.2179.3-85.8-35.3000111.1I134 R138I134-N136 PolarHBondContact O-N 3.28Å; N136-R138 PolarHBondContact O-N 2.85Å
137I36.2Very low49.1Very low96 Ų96112.4 Ų112.449%0.49261%0.606SS.*  trans-74.577165.2-59.6169.7000104.8Q135 G139Q135-I137 PolarHBondContact O-N 3.22Å; I137-G139 WeakPolarHBondContact CG2-O 3.4Å; I137-G139 PolarHBondContact O-N 3.13Å
138R30.3Very low47.4Very low235 Ų235114.4 Ų114.489%0.88760%0.604SS**  trans-71.920171.4-90.1-170.6174.8-174.4-1112.6N136N136-R138 PolarHBondContact O-N 2.85Å
139G30.1Very low45.4Very low32 Ų32113.4 Ų113.433%0.3360%0.596SS.*SBendtrans-131.7113.5-179.800000111.2I137 I141I137-G139 WeakPolarHBondContact CG2-O 3.4Å; I137-G139 PolarHBondContact O-N 3.13Å; G139-I141 PolarHBondContact O-N 2.94Å
140T29.1Very low43.4Very low151 Ų151116.5 Ų116.593%0.92661%0.61SS**SBendtrans78.9-0.7150.255.30000122.8
141I33.8Very low41.2Very low114 Ų114117.2 Ų117.259%0.58561%0.613SS**SBendtrans-116.5-15.5178.4-52.1178.5000115G139 K143G139-I141 PolarHBondContact O-N 2.94Å; I141-K143 PolarHBondContact O-N 3.29Å
142L31.2Very low38.9Very low148 Ų148117.2 Ų117.278%0.77561%0.606SS**THydrogen-bonded Turntrans-88.69.5-171.7-72.1168.7000116
143K25.6Very low36.8Very low192 Ų192119.7 Ų119.784%0.83562%0.621SS**THydrogen-bonded Turntrans-127.115.8-168.1-95.8-165.3177.1-169.70117I141 D145I141-K143 PolarHBondContact O-N 3.29Å; K143-D145 PolarHBondContact O-N 2.9Å
144E30.3Very low34.4Very low164 Ų164122.5 Ų122.577%0.76663%0.633SS**  trans-86.491.2160.9-75.2179.3172.100107.6C146E144-C146 PolarHBondContact O-N 3.12Å
145D27.6Very low32.3Very low152 Ų152124.1 Ų124.181%0.81364%0.642SS**  trans-62.876.4162.2-70.2-36000107.6K143 D147K143-D145 PolarHBondContact O-N 2.9Å; D145-D147 PolarHBondContact O-N 2.88Å; D145-D147 VanDerWaalsContact O-N 3.13Å
146C29.8Very low30.6Very low67 Ų67122.3 Ų122.345%0.45364%0.641SS.*  trans-80.393.3171.9-660000107.7E144 F148E144-C146 PolarHBondContact O-N 3.12Å; C146-F148 PolarHBondContact O-N 3.32Å; C146-F148 VanDerWaalsContact O-N 3.1Å
147D29Very low30.1Very low159 Ų159121.3 Ų121.385%0.8563%0.631SS**  trans-53113.1161.6-78.9-34.2000108.2D145D145-D147 PolarHBondContact O-N 2.88Å; D145-D147 VanDerWaalsContact O-N 3.13Å
148F35.6Very low29.5Very low101 Ų101120.4 Ų120.444%0.44363%0.631SS.*  trans-75.7126.6-179.5-151.1-94.1000108.6C146 S150 F152C146-F148 PolarHBondContact O-N 3.32Å; C146-F148 VanDerWaalsContact O-N 3.1Å; F148-S150 PolarHBondContact O-N 3.38Å; F148-F152 HydrophobicContact CD1-CD2 4.19Å; F148-F152 HydrophobicContact CE1-CB 4.31Å; F148-F152 AromaticContact CE1-CD2 3.34Å; F148-F152 HydrophobicContact CE1-CD2 3.34Å; F148-F152 AromaticContact CE1-CE2 3.79Å; F148-F152 HydrophobicContact CE1-CE2 3.79Å; F148-F152 AromaticContact CE1-CG 3.93Å; F148-F152 HydrophobicContact CE1-CG 3.93Å; F148-F152 AromaticContact CZ-CD2 3.89Å; F148-F152 HydrophobicContact CZ-CD2 3.89Å; F148-F152 AromaticContact CZ-CE2 3.85Å; F148-F152 HydrophobicContact CZ-CE2 3.85Å
149P31.4Very low29.3Very low73 Ų73115.1 Ų115.147%0.47463%0.63SS.*  trans-65.8123.6179.124.2-31.3000109.8H151P149-H151 PolarHBondContact O-N 3.3Å
150S31.9Very low29.1Very low107 Ų107120.9 Ų120.975%0.74865%0.648SS**G310 helixtrans-59.2-2.9175.949.30000114.5F148 F152F148-S150 PolarHBondContact O-N 3.38Å; S150-F152 VanDerWaalsContact C-N 3.32Å; S150-F152 PolarHBondContact O-N 3.31Å
151H29.7Very low29Very low128 Ų128117.9 Ų117.959%0.59363%0.634SS**G310 helixtrans-84.46.6-177.2-63.6-62.3000114.8P149 N153 D154 L155P149-H151 PolarHBondContact O-N 3.3Å; H151-N153 VanDerWaalsContact C-N 3.3Å; H151-N153 PolarHBondContact O-N 3.44Å; H151-D154 PolarHBondContact O-N 3.44Å; H151-L155 PolarHBondContact O-N 3.48Å
152F32.1Very low28.8Very low61 Ų61120.1 Ų120.127%0.26864%0.639SS.*G310 helixtrans-70.2-22179.5-109.3-83.4000114.6F148 S150 D154 L155F148-F152 HydrophobicContact CD1-CD2 4.19Å; F148-F152 HydrophobicContact CE1-CB 4.31Å; F148-F152 AromaticContact CE1-CD2 3.34Å; F148-F152 HydrophobicContact CE1-CD2 3.34Å; F148-F152 AromaticContact CE1-CE2 3.79Å; F148-F152 HydrophobicContact CE1-CE2 3.79Å; F148-F152 AromaticContact CE1-CG 3.93Å; F148-F152 HydrophobicContact CE1-CG 3.93Å; F148-F152 AromaticContact CZ-CD2 3.89Å; F148-F152 HydrophobicContact CZ-CD2 3.89Å; F148-F152 AromaticContact CZ-CE2 3.85Å; F148-F152 HydrophobicContact CZ-CE2 3.85Å; S150-F152 VanDerWaalsContact C-N 3.32Å; S150-F152 PolarHBondContact O-N 3.31Å; F152-D154 PolarHBondContact O-N 3.29Å; F152-L155 HydrophobicContact CD1-CB 4.45Å; F152-L155 HydrophobicContact CD1-CD1 4.41Å; F152-L155 HydrophobicContact CD2-CD1 4.43Å; F152-L155 HydrophobicContact CE1-CD1 4.35Å; F152-L155 HydrophobicContact CE2-CD1 4.38Å; F152-L155 HydrophobicContact CG-CD1 4.47Å; F152-L155 HydrophobicContact CZ-CD1 4.35Å; F152-L155 PolarHBondContact O-N 2.97Å
153N33.3Very low28.6Very low106 Ų106119.1 Ų119.157%0.56764%0.635SS**G310 helixtrans-67-23.5174.2-79.5-17000112.5H151H151-N153 VanDerWaalsContact C-N 3.3Å; H151-N153 PolarHBondContact O-N 3.44Å
154D29Very low28.9Very low132 Ų132117.5 Ų117.571%0.70664%0.635SS**THydrogen-bonded Turntrans-98.6-12178.9-67.4-29.5000113.4H151 F152 T156H151-D154 PolarHBondContact O-N 3.44Å; F152-D154 PolarHBondContact O-N 3.29Å; D154-T156 PolarHBondContact O-N 3.25Å
155L24.3Very low29.3Very low91 Ų91113.9 Ų113.948%0.47663%0.628SS.*  trans-77.570.8165.6-65.9173.7000108.6H151 F152 F157H151-L155 PolarHBondContact O-N 3.48Å; F152-L155 HydrophobicContact CD1-CB 4.45Å; F152-L155 HydrophobicContact CD1-CD1 4.41Å; F152-L155 HydrophobicContact CD2-CD1 4.43Å; F152-L155 HydrophobicContact CE1-CD1 4.35Å; F152-L155 HydrophobicContact CE2-CD1 4.38Å; F152-L155 HydrophobicContact CG-CD1 4.47Å; F152-L155 HydrophobicContact CZ-CD1 4.35Å; F152-L155 PolarHBondContact O-N 2.97Å; L155-F157 PolarHBondContact O-N 2.94Å
156T24.6Very low30Very low119 Ų119113.1 Ų113.173%0.7362%0.624SS**  trans-43.6106.9134.445.30000105.5D154 P158D154-T156 PolarHBondContact O-N 3.25Å; T156-P158 VanDerWaalsContact O-CD 3.23Å; T156-P158 WeakPolarHBondContact O-CD 3.38Å
157F26.8Very low30.7Very low120 Ų120113.2 Ų113.253%0.52662%0.62SS.*  trans-45.8114.5172.2-86.8-86.5000104.8L155 S159L155-F157 PolarHBondContact O-N 2.94Å; F157-S159 PolarHBondContact O-N 3.39Å
158P24.6Very low31.7Very low76 Ų76111.9 Ų111.949%0.49461%0.612SS.*  trans-57.4118.7-175.3-6.610.6000104.4T156 E160T156-P158 VanDerWaalsContact O-CD 3.23Å; T156-P158 WeakPolarHBondContact O-CD 3.38Å; P158-E160 HydrophobicContact CB-CB 4.19Å; P158-E160 HydrophobicContact CB-CG 4.09Å; P158-E160 PolarHBondContact O-N 2.92Å
159S26.3Very low32.9Very low125 Ų125110.2 Ų110.287%0.87460%0.603SS**  trans-68.327.5167.5600000110.4F157 S161F157-S159 PolarHBondContact O-N 3.39Å; S159-S161 PolarHBondContact O-N 3.46Å
160E24.3Very low34.2Very low153 Ų153111.2 Ų111.272%0.71560%0.604SS**  trans-68.595.4159.2-67.8-165.9163.300105P158 F162P158-E160 HydrophobicContact CB-CB 4.19Å; P158-E160 HydrophobicContact CB-CG 4.09Å; P158-E160 PolarHBondContact O-N 2.92Å; E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 PolarHBondContact O-N 3.3Å
161S27.6Very low35.7Very low88 Ų88107.1 Ų107.162%0.61558%0.575SS**  trans-30.699.4156.150.50000108.9S159 N163S159-S161 PolarHBondContact O-N 3.46Å; S161-N163 PolarHBondContact O-N 3.22Å
162F29.3Very low37.5Very low161 Ų161106.1 Ų106.171%0.70657%0.571SS**  trans-52.4112.6175.8-88.7-86.8000106.1E160 N164E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 PolarHBondContact O-N 3.3Å; F162-N164 PolarHBondContact O-N 3.48Å; F162-N164 VanDerWaalsContact O-N 3.11Å
163N26.9Very low39.1Very low126 Ų126105 Ų10567%0.67457%0.567SS**  trans-55.2122.3-174.8-82.4-41.4000108.6S161 S165S161-N163 PolarHBondContact O-N 3.22Å; N163-S165 PolarHBondContact O-N 3.13Å
164N33.5Very low40.8Very low159 Ų159102.1 Ų102.185%0.8555%0.551SS**THydrogen-bonded Turntrans-81.633.1-153.9-127.9-1.7000114.2F162F162-N164 PolarHBondContact O-N 3.48Å; F162-N164 VanDerWaalsContact O-N 3.11Å
165S38.1Very low42.2Very low88 Ų88104.5 Ų104.562%0.61556%0.558SS**THydrogen-bonded Turntrans-122.8-22.6-174.256.50000117.2N163N163-S165 PolarHBondContact O-N 3.13Å
166D41.7Very low43.7Very low136 Ų136103.3 Ų103.373%0.72756%0.558SS**SBendtrans-121.94-172.9-67.3-29.8000116
167N44.7Very low45.4Very low68 Ų68100.9 Ų100.936%0.36454%0.544SS..  trans-105.759.5-179-75.4-17.6000112.5R57 W169R57-N167 PolarHBondContact NH1-OD1 3.3Å; R57-N167 VanDerWaalsContact NH1-OD1 3.11Å; N167-W169 PolarHBondContact O-N 3.27Å; N167-W169 VanDerWaalsContact O-N 3.17Å
168L49.7Very low46.9Very low132 Ų13295.6 Ų95.669%0.69152%0.521SS*.  trans-7699.4169.9-82149000109.5L170L168-L170 PolarHBondContact O-N 3.31Å
169W60.6Low48.7Very low65 Ų6599.7 Ų99.725%0.24654%0.539CS..  trans-62124.3164.3-69.883000108.7V41 I43 L55 P56 L59 N167V41-W169 HydrophobicContact CB-CB 3.98Å; V41-W169 HydrophobicContact CG1-CB 3.94Å; V41-W169 HydrophobicContact CG1-CG 4.5Å; I43-W169 HydrophobicContact CD1-CD2 3.92Å; I43-W169 HydrophobicContact CD1-CE3 3.98Å; I43-W169 HydrophobicContact CD1-CH2 3.69Å; I43-W169 HydrophobicContact CD1-CZ2 3.63Å; I43-W169 HydrophobicContact CD1-CZ3 3.86Å; L55-W169 HydrophobicContact CB-CH2 4.5Å; P56-W169 WeakPolarHBondContact O-CZ3 3.3Å; L59-W169 HydrophobicContact CD1-CD2 4.32Å; L59-W169 HydrophobicContact CD1-CE3 3.68Å; L59-W169 HydrophobicContact CD1-CZ3 4.25Å; L59-W169 HydrophobicContact CD2-CE3 4.25Å; L59-W169 HydrophobicContact CD2-CZ3 4.07Å; L59-W169 HydrophobicContact CG-CE3 3.71Å; L59-W169 HydrophobicContact CG-CZ3 4.05Å; N167-W169 PolarHBondContact O-N 3.27Å; N167-W169 VanDerWaalsContact O-N 3.17Å
170L59.3Low50.8Low94 Ų9496.9 Ų96.949%0.49251%0.512SS..EExtended strand (participates in β ladder)trans-90115.3176.5-99.9147.3000108.6R57 R58 L59 L168R57-L170 PolarHBondContact O-N 3.44Å; R57-L170 VanDerWaalsContact O-N 3.16Å; R58-L170 CarbonylContact C-O 3.51Å; R58-L170 WeakPolarHBondContact CA-O 3.27Å; R58-L170 HydrophobicContact CG-CB 4.11Å; L59-L170 PolarHBondContact N-O 2.99Å; L168-L170 PolarHBondContact O-N 3.31Å
171C63.5Low53.3Low21 Ų2190.9 Ų90.914%0.14249%0.486CS..EExtended strand (participates in β ladder)trans-100.3128174-73.10000110.9L7 F11 V41 L59 I61L7-C171 HydrophobicContact CD2-CB 4.22Å; L7-C171 VanDerWaalsContact CD2-SG 3.5Å; F11-C171 HydrophobicContact CD2-CB 4.38Å; F11-C171 HydrophobicContact CE2-CB 3.91Å; F11-C171 WeakPolarHBondContact CE2-O 3.42Å; F11-C171 HydrophobicContact CZ-CB 4.22Å; V41-C171 HydrophobicContact CG2-CB 4.36Å; V41-C171 VanDerWaalsContact CG2-SG 3.55Å; L59-C171 VanDerWaalsContact O-CA 3.31Å; L59-C171 WeakPolarHBondContact O-CA 3.2Å; I61-C171 HydrophobicContact CD1-CB 4.26Å
172E66.8Low55.8Low108 Ų10886.7 Ų86.751%0.50546%0.457SS..EExtended strand (participates in β ladder)trans-121.3130.6170.9-73.4-178.5174.700109.3L59 T60 I61L59-E172 PolarHBondContact O-N 2.87Å; T60-E172 CarbonylContact C-O 3.58Å; T60-E172 WeakPolarHBondContact CA-O 3.41Å; I61-E172 PolarHBondContact N-O 3.18Å
173L66.3Low58.3Low37 Ų3779 Ų7919%0.19442%0.424CS..EExtended strand (participates in β ladder)trans-88123.3171.5-174.481.7000108.8F11 N15 L17 I61F11-L173 HydrophobicContact CE1-CB 4.44Å; F11-L173 HydrophobicContact CE2-CB 4.49Å; F11-L173 HydrophobicContact CZ-CB 3.79Å; N15-L173 HydrophobicContact CB-CD2 3.69Å; L17-L173 HydrophobicContact CD1-CD1 4.48Å; I61-L173 HydrophobicContact CB-CD1 4.13Å; I61-L173 HydrophobicContact CG2-CD1 3.9Å; I61-L173 CarbonylContact O-C 3.39Å; I61-L173 WeakPolarHBondContact O-CA 3.47Å; I61-L173 WeakPolarHBondContact O-CD1 3.49Å
174I68.2Low60.8Low45 Ų4577.4 Ų77.423%0.23141%0.411CS..EExtended strand (participates in β ladder)trans-95.5125.6170.3-56.5177.8000107.6Y27 T60 I61 Q62 S176Y27-I174 HydrophobicContact CE2-CD1 4.25Å; Y27-I174 WeakPolarHBondContact OH-CD1 3.44Å; T60-I174 HydrophobicContact CG2-CD1 3.92Å; I61-I174 PolarHBondContact O-N 2.99Å; Q62-I174 HydrophobicContact CG-CB 3.81Å; Q62-I174 HydrophobicContact CG-CG2 4.4Å; I174-S176 VanDerWaalsContact CG2-OG 3.28Å; I174-S176 WeakPolarHBondContact CG2-OG 3.26Å
175Q58.8Low62.8Low183 Ų18369.9 Ų69.986%0.85537%0.37SS*.EExtended strand (participates in β ladder)trans-74.9-22.9-174.4-71.7-173.9-21.200113.7
176S57.2Low64.1Low66 Ų6666.6 Ų66.646%0.46235%0.35SS..EExtended strand (participates in β ladder)trans-66.9124.2174.358.50000109.3Q62 I174Q62-S176 PolarHBondContact NE2-O 2.79Å; Q62-S176 PolarHBondContact NE2-OG 2.82Å; I174-S176 VanDerWaalsContact CG2-OG 3.28Å; I174-S176 WeakPolarHBondContact CG2-OG 3.26Å
177P59.9Low65Low68 Ų6863.7 Ų63.744%0.44234%0.341SS..EExtended strand (participates in β ladder)trans-67.6152.3178.431.9-36.3000110.2L63 T65 D179L63-P177 WeakPolarHBondContact O-CA 3.48Å; L63-P177 WeakPolarHBondContact O-CB 3.42Å; T65-P177 HydrophobicContact CG2-CB 3.81Å; T65-P177 HydrophobicContact CG2-CG 3.97Å; P177-D179 PolarHBondContact O-N 2.83Å
178S56.7Low65.8Low8 Ų865.3 Ų65.36%0.05636%0.358CS..EExtended strand (participates in β ladder)trans-66.3133.317964.60000111.1L63 P64 T65 Q180L63-S178 PolarHBondContact O-N 2.94Å; L63-S178 VanDerWaalsContact O-N 3.1Å; P64-S178 WeakPolarHBondContact CA-OG 3.2Å; T65-S178 WeakPolarHBondContact CG2-O 3.46Å; T65-S178 PolarHBondContact OG1-O 3.34Å; S178-Q180 PolarHBondContact O-N 3.28Å; S178-Q180 PolarHBondContact OG-O 2.98Å; S178-Q180 VanDerWaalsContact OG-O 3.13Å
179D64.1Low66.7Low163 Ų16359.1 Ų59.187%0.87233%0.325SS*.SBendtrans-58.8-22.4179.8-72.3-28000113.4P177P177-D179 PolarHBondContact O-N 2.83Å
180Q69.8Low67.3Low66 Ų6661.9 Ų61.931%0.30834%0.339SS..SBendtrans-96139.6179.8-66-165.7-17.200113.3T65 M103 V104 S178T65-Q180 PolarHBondContact OG1-O 3.4Å; M103-Q180 HydrophobicContact SD-CB 4.47Å; V104-Q180 PolarHBondContact O-OE1 2.88Å; S178-Q180 PolarHBondContact O-N 3.28Å; S178-Q180 PolarHBondContact OG-O 2.98Å; S178-Q180 VanDerWaalsContact OG-O 3.13Å
181P76.5Confident67.9Low26 Ų2657.6 Ų57.617%0.16932%0.316CS..PPolyproline II helixtrans-73146.4171.430.2-33.3000111.4I68 F132 F183I68-P181 HydrophobicContact CD1-CB 3.77Å; I68-P181 HydrophobicContact CD1-CG 4.43Å; I68-P181 HydrophobicContact CG1-CB 4.37Å; F132-P181 HydrophobicContact CD1-CG 3.96Å; F132-P181 HydrophobicContact CE1-CG 4.03Å; P181-F183 HydrophobicContact CB-CE2 4.48Å; P181-F183 HydrophobicContact CB-CZ 4.4Å; P181-F183 HydrophobicContact CG-CE2 3.94Å; P181-F183 HydrophobicContact CG-CZ 3.87Å
182V81.1Confident68.6Low0 Ų059.8 Ų59.80%033%0.326CS..EExtended strand (participates in β ladder)trans-96.2129.9173.6175.70000109.4V22 V24 P30 P64 R66 V67 I68 H101 M103V22-V182 HydrophobicContact CG1-CG1 3.95Å; V24-V182 HydrophobicContact CG2-CG2 3.71Å; P30-V182 HydrophobicContact CB-CG1 3.75Å; P30-V182 HydrophobicContact CB-CG2 4.11Å; P30-V182 HydrophobicContact CG-CG1 4.4Å; P64-V182 HydrophobicContact CB-CB 4.19Å; P64-V182 HydrophobicContact CB-CG2 3.55Å; P64-V182 HydrophobicContact CG-CG2 4.33Å; R66-V182 PolarHBondContact O-N 3.49Å; V67-V182 CarbonylContact C-O 3.52Å; V67-V182 VanDerWaalsContact CA-O 3.27Å; V67-V182 WeakPolarHBondContact CA-O 3.22Å; V67-V182 HydrophobicContact CG2-CB 4.45Å; I68-V182 PolarHBondContact N-O 2.72Å; H101-V182 HydrophobicContact CB-CG1 3.74Å; M103-V182 HydrophobicContact CG-CB 4.46Å; M103-V182 HydrophobicContact CG-CG2 3.79Å; M103-V182 HydrophobicContact SD-CG2 3.89Å
183F81.5Confident68.8Low1 Ų156 Ų560%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-95.2128.8178.9-65.1-82.8000111.1I68 A70 H101 T102 V104 A124 F132 P181I68-F183 HydrophobicContact CB-CD1 4.13Å; I68-F183 HydrophobicContact CB-CE1 4.15Å; I68-F183 HydrophobicContact CD1-CE1 4.43Å; I68-F183 HydrophobicContact CG2-CD1 4.35Å; I68-F183 HydrophobicContact CG2-CE1 4.22Å; I68-F183 CarbonylContact O-C 3.55Å; I68-F183 VanDerWaalsContact O-CA 3.25Å; I68-F183 WeakPolarHBondContact O-CA 3.13Å; A70-F183 HydrophobicContact CB-CB 4.36Å; A70-F183 HydrophobicContact CB-CD1 4.44Å; H101-F183 CarbonylContact C-O 3.54Å; H101-F183 VanDerWaalsContact CA-O 3.28Å; H101-F183 WeakPolarHBondContact CA-O 3.41Å; T102-F183 PolarHBondContact N-O 3.47Å; T102-F183 WeakPolarHBondContact O-CB 3.41Å; T102-F183 PolarHBondContact O-N 3.19Å; V104-F183 HydrophobicContact CG2-CD2 4.05Å; V104-F183 HydrophobicContact CG2-CE2 3.61Å; V104-F183 HydrophobicContact CG2-CZ 4.45Å; A124-F183 HydrophobicContact CB-CD1 3.74Å; A124-F183 HydrophobicContact CB-CD2 3.66Å; A124-F183 HydrophobicContact CB-CE1 3.68Å; A124-F183 HydrophobicContact CB-CE2 3.62Å; A124-F183 HydrophobicContact CB-CG 3.72Å; A124-F183 HydrophobicContact CB-CZ 3.63Å; F132-F183 HydrophobicContact CB-CE2 4.31Å; F132-F183 HydrophobicContact CB-CZ 3.67Å; F132-F183 HydrophobicContact CD1-CZ 4.18Å; F132-F183 AromaticContact CD2-CE1 3.74Å; F132-F183 HydrophobicContact CD2-CE1 3.74Å; F132-F183 AromaticContact CD2-CZ 3.53Å; F132-F183 HydrophobicContact CD2-CZ 3.53Å; F132-F183 HydrophobicContact CE2-CE1 4.17Å; F132-F183 HydrophobicContact CE2-CZ 4.19Å; F132-F183 HydrophobicContact CG-CE1 4.23Å; F132-F183 AromaticContact CG-CZ 3.53Å; F132-F183 HydrophobicContact CG-CZ 3.53Å; P181-F183 HydrophobicContact CB-CE2 4.48Å; P181-F183 HydrophobicContact CB-CZ 4.4Å; P181-F183 HydrophobicContact CG-CE2 3.94Å; P181-F183 HydrophobicContact CG-CZ 3.87Å
184K79.4Confident69Low92 Ų9256.6 Ų56.640%0.431%0.314SS..EExtended strand (participates in β ladder)trans-91.3123.1171.6-179.1178.7179.1-1800109.4V67 I68 A70 G186V67-K184 HydrophobicContact CG1-CB 4.17Å; I68-K184 PolarHBondContact O-N 2.88Å; A70-K184 PolarHBondContact N-O 3.33Å; K184-G186 PolarHBondContact O-N 3.05Å
185I75.3Confident68.8Low0 Ų058.1 Ų58.10%032%0.32CS..  trans-89.3108.5179.1-54.5-174000108.9L73 L97 M99 S100 T102 T189L73-I185 HydrophobicContact CD1-CD1 3.27Å; L73-I185 HydrophobicContact CD1-CG1 3.56Å; L97-I185 HydrophobicContact CB-CD1 3.75Å; L97-I185 HydrophobicContact CB-CG2 4.32Å; L97-I185 HydrophobicContact CD1-CD1 4.47Å; L97-I185 HydrophobicContact CD2-CD1 4.21Å; L97-I185 HydrophobicContact CG-CD1 4.37Å; L97-I185 WeakPolarHBondContact O-CB 3.28Å; L97-I185 WeakPolarHBondContact O-CG2 3.26Å; M99-I185 WeakPolarHBondContact CA-O 3.5Å; M99-I185 PolarHBondContact N-O 3.21Å; S100-I185 PolarHBondContact O-N 3.36Å; T102-I185 HydrophobicContact CG2-CD1 3.46Å; T102-I185 VanDerWaalsContact CG2-CD1 3.46Å; T102-I185 HydrophobicContact CG2-CG1 4.3Å; I185-T189 HydrophobicContact CG2-CG2 4.07Å; I185-T189 WeakPolarHBondContact CG2-OG1 3.44Å
186G65.2Low68.5Low19 Ų1950.7 Ų50.720%0.19629%0.29CS..  trans-84.9173.817400000113.3K184 S188 T189K184-G186 PolarHBondContact O-N 3.05Å; G186-S188 PolarHBondContact O-N 3.1Å; G186-T189 PolarHBondContact O-N 3.42Å; G186-T189 PolarHBondContact O-OG1 3.36Å
187S60.2Low67.7Low76 Ų7656.8 Ų56.853%0.53131%0.311SS..THydrogen-bonded Turntrans-64.2-19.8174.753.90000114.5H94H94-S187 PolarHBondContact NE2-O 3.24Å
188S61.5Low66.5Low102 Ų10257.1 Ų57.171%0.71332%0.32SS*.THydrogen-bonded Turntrans-99.51.9-177.7540000114.2G186 K190G186-S188 PolarHBondContact O-N 3.1Å; S188-K190 PolarHBondContact O-N 3.09Å
189T68.7Low65Low1 Ų160.4 Ų60.41%0.00634%0.343CS..PPolyproline II helixtrans-69128.1-178.650.70000111.3A70 K71 H94 I185 G186 L191A70-T189 HydrophobicContact CB-CG2 4.01Å; A70-T189 WeakPolarHBondContact O-CG2 3.5Å; K71-T189 WeakPolarHBondContact O-CA 3.38Å; H94-T189 PolarHBondContact CE1-O 3.14Å; H94-T189 PolarHBondContact ND1-O 2.82Å; I185-T189 HydrophobicContact CG2-CG2 4.07Å; I185-T189 WeakPolarHBondContact CG2-OG1 3.44Å; G186-T189 PolarHBondContact O-N 3.42Å; G186-T189 PolarHBondContact O-OG1 3.36Å; T189-L191 PolarHBondContact O-N 2.76Å
190K73.3Confident63.2Low124 Ų12458.4 Ų58.454%0.53934%0.338SS..EExtended strand (participates in β ladder)trans-82116.5174.9-71.3-179.3178.5-178.40110K71 S72 L73 S188K71-K190 PolarHBondContact O-N 2.78Å; S72-K190 CarbonylContact C-O 3.5Å; S72-K190 WeakPolarHBondContact CA-O 3.08Å; S72-K190 WeakPolarHBondContact CB-O 3.37Å; L73-K190 PolarHBondContact N-O 2.96Å; S188-K190 PolarHBondContact O-N 3.09Å
191L72.3Confident61.1Low3 Ų362 Ų622%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-79.2140.3166-59-171.6000109.6L73 L75 L93 H94 L97 T189 R208L73-L191 HydrophobicContact CB-CD2 3.88Å; L73-L191 HydrophobicContact CD1-CD2 4.22Å; L73-L191 HydrophobicContact CG-CD2 4.5Å; L73-L191 CarbonylContact O-C 3.55Å; L73-L191 WeakPolarHBondContact O-CA 3.42Å; L75-L191 HydrophobicContact CD1-CB 4.38Å; L75-L191 HydrophobicContact CD1-CD1 3.89Å; L75-L191 HydrophobicContact CD1-CD2 3.88Å; L75-L191 HydrophobicContact CD1-CG 4.27Å; L93-L191 HydrophobicContact CB-CD1 4.07Å; H94-L191 HydrophobicContact CB-CD1 3.95Å; H94-L191 HydrophobicContact CB-CG 4.47Å; L97-L191 HydrophobicContact CD1-CD1 4Å; L97-L191 HydrophobicContact CD1-CD2 4.44Å; T189-L191 PolarHBondContact O-N 2.76Å; L191-R208 PolarHBondContact O-NH2 2.66Å
192I77.2Confident58.6Low68 Ų6867.3 Ų67.335%0.34939%0.386SS..EExtended strand (participates in β ladder)trans-124.2105.5172.7-59.4174.2000105.4L73 R74 L75L73-I192 PolarHBondContact O-N 3.31Å; R74-I192 WeakPolarHBondContact CA-O 3.46Å; R74-I192 HydrophobicContact CG-CG2 4.44Å; L75-I192 PolarHBondContact N-O 3.46Å
193L71.8Confident55.8Low27 Ų2772.7 Ų72.714%0.14142%0.424CS..EExtended strand (participates in β ladder)trans-86.8135.6177.6-68.9166.3000110.3L75 I77 E90 L93 L119L75-L193 HydrophobicContact CB-CD2 3.81Å; L75-L193 HydrophobicContact CD1-CD2 4.13Å; L75-L193 CarbonylContact O-C 3.22Å; L75-L193 WeakPolarHBondContact O-CA 3.22Å; I77-L193 HydrophobicContact CD1-CB 4.22Å; I77-L193 HydrophobicContact CD1-CD1 4.29Å; I77-L193 HydrophobicContact CD1-CD2 3.94Å; I77-L193 HydrophobicContact CD1-CG 4.39Å; I77-L193 HydrophobicContact CG1-CD2 3.79Å; E90-L193 VanDerWaalsContact CA-CD1 3.42Å; E90-L193 HydrophobicContact CB-CD1 3.48Å; E90-L193 VanDerWaalsContact CB-CD1 3.48Å; E90-L193 HydrophobicContact CG-CD1 3.73Å; E90-L193 HydrophobicContact CG-CG 4.47Å; L93-L193 HydrophobicContact CD1-CD1 4.34Å; L93-L193 HydrophobicContact CD1-CD2 3.63Å; L119-L193 HydrophobicContact CD2-CD2 4.48Å
194V69.6Low53.1Low50 Ų5076.6 Ų76.630%0.30345%0.448SS..EExtended strand (participates in β ladder)trans-123.2134.8169.7-177.40000106.6R74 L75 E76 I77R74-V194 HydrophobicContact CG-CG2 4.26Å; L75-V194 PolarHBondContact O-N 3.29Å; E76-V194 CarbonylContact C-O 3.59Å; E76-V194 VanDerWaalsContact CA-O 3.26Å; E76-V194 WeakPolarHBondContact CA-O 3.35Å; I77-V194 PolarHBondContact N-O 2.86Å
195Q64.4Low50.4Low78 Ų7876 Ų7636%0.36447%0.468SS..EExtended strand (participates in β ladder)trans-84.5132.6172.6-171.9166.53.200108.5V81 E197V81-Q195 PolarHBondContact O-NE2 3.45Å; Q195-E197 PolarHBondContact O-N 2.91Å
196A53.4Low47.9Very low27 Ų2780.4 Ų80.422%0.22349%0.487CS..  trans-59.8131.3173.400000109.2E76 I77 A198E76-A196 HydrophobicContact CG-CB 4.01Å; E76-A196 WeakPolarHBondContact OE1-CA 3.47Å; E76-A196 WeakPolarHBondContact OE1-CB 3.3Å; I77-A196 WeakPolarHBondContact O-CB 3.41Å; I77-A196 PolarHBondContact O-N 3.3Å; A196-A198 PolarHBondContact O-N 2.93Å
197E39.2Very low45.8Very low194 Ų19481.4 Ų81.491%0.90750%0.497SS*.  trans-63.289.6-176.6-69.2-179.8170.100111.3Q195Q195-E197 PolarHBondContact O-N 2.91Å
198A35.1Very low44Very low75 Ų7584.4 Ų84.462%0.6250%0.497SS*.  trans-86.3103.115900000107.8A196A196-A198 PolarHBondContact O-N 2.93Å
199S25.4Very low42.2Very low77 Ų7783.9 Ų83.954%0.53849%0.493SS..SBendtrans73.1139.517678.10000116.8N201S199-N201 PolarHBondContact O-N 2.9Å
200P26.5Very low40.1Very low120 Ų12087.5 Ų87.578%0.77951%0.51SS*.THydrogen-bonded Turntrans-73.812.5-171.532.5-36000114.4
201N25.5Very low37.9Very low142 Ų14283.6 Ų83.676%0.75950%0.495SS*.THydrogen-bonded Turntrans-103.76.9-174.6-73-9.9000114.7S199S199-N201 PolarHBondContact O-N 2.9Å
202L23.9Very low35.7Very low138 Ų13886.1 Ų86.172%0.72351%0.512SS*.  trans-131.549.1178-81.7156.3000111.8V204L202-V204 HydrophobicContact CD2-CG2 4.41Å; L202-V204 PolarHBondContact O-N 3.41Å
203S22.9Very low33.2Very low113 Ų11389.3 Ų89.379%0.7952%0.524SS*.  trans-76.560.5165.152.30000110.9G205S203-G205 PolarHBondContact O-N 2.87Å
204V24.3Very low31.1Very low83 Ų8393.6 Ų93.650%0.50355%0.547SS..  trans-98.386173.8-159.30000109.3L202 F206L202-V204 HydrophobicContact CD2-CG2 4.41Å; L202-V204 PolarHBondContact O-N 3.41Å; V204-F206 HydrophobicContact CB-CD2 4.09Å; V204-F206 HydrophobicContact CB-CE2 3.94Å; V204-F206 HydrophobicContact CG1-CD1 4.27Å; V204-F206 HydrophobicContact CG1-CD2 3.43Å; V204-F206 VanDerWaalsContact CG1-CD2 3.43Å; V204-F206 HydrophobicContact CG1-CE1 3.99Å; V204-F206 HydrophobicContact CG1-CE2 3.1Å; V204-F206 HydrophobicContact CG1-CG 4.02Å; V204-F206 HydrophobicContact CG1-CZ 3.41Å; V204-F206 VanDerWaalsContact CG1-CZ 3.41Å; V204-F206 PolarHBondContact O-N 2.92Å
205G22.4Very low29.1Very low80 Ų8094.3 Ų94.383%0.82555%0.551SS**  trans-66.379169.300000110.8S203 G207S203-G205 PolarHBondContact O-N 2.87Å; G205-G207 PolarHBondContact O-N 3.24Å; G205-G207 VanDerWaalsContact O-N 3.07Å
206F22.6Very low27.4Very low91 Ų9193.9 Ų93.940%0.39956%0.555SS.*  trans-76.497.3170.3-77.5-62.6000109.3V204 E210 I211 L214V204-F206 HydrophobicContact CB-CD2 4.09Å; V204-F206 HydrophobicContact CB-CE2 3.94Å; V204-F206 HydrophobicContact CG1-CD1 4.27Å; V204-F206 HydrophobicContact CG1-CD2 3.43Å; V204-F206 VanDerWaalsContact CG1-CD2 3.43Å; V204-F206 HydrophobicContact CG1-CE1 3.99Å; V204-F206 HydrophobicContact CG1-CE2 3.1Å; V204-F206 HydrophobicContact CG1-CG 4.02Å; V204-F206 HydrophobicContact CG1-CZ 3.41Å; V204-F206 VanDerWaalsContact CG1-CZ 3.41Å; V204-F206 PolarHBondContact O-N 2.92Å; F206-E210 HydrophobicContact CD1-CB 3.73Å; F206-E210 HydrophobicContact CE1-CB 4.36Å; F206-I211 HydrophobicContact CB-CD1 4.31Å; F206-I211 HydrophobicContact CB-CG1 3.82Å; F206-L214 HydrophobicContact CD2-CD1 4.31Å; F206-L214 HydrophobicContact CE2-CD1 4.11Å; F206-L214 HydrophobicContact CZ-CD1 4.24Å
207G21.1Very low26.2Very low40 Ų40100.9 Ų100.941%0.41258%0.58SS.*  trans-53.9145.6164.900000110.1G205 S209 E210G205-G207 PolarHBondContact O-N 3.24Å; G205-G207 VanDerWaalsContact O-N 3.07Å; G207-S209 PolarHBondContact O-N 2.79Å; G207-E210 PolarHBondContact O-N 3.28Å
208R23.9Very low26.1Very low139 Ų13994.1 Ų94.153%0.52555%0.552SS.*Hα-helixtrans-43.6-27.3179.8-78.5-179.7164.1155.30.4114.9L191 E210L191-R208 PolarHBondContact O-NH2 2.66Å; R208-E210 VanDerWaalsContact C-N 3.34Å
209S23.8Very low26.1Very low91 Ų9196 Ų9664%0.63655%0.551SS**Hα-helixtrans-66.5-28.3176.648.20000114.1G207 S212G207-S209 PolarHBondContact O-N 2.79Å; S209-S212 PolarHBondContact O-OG 3.16Å
210E24.5Very low26.8Very low77 Ų7796 Ų9636%0.3654%0.541SS..Hα-helixtrans-97.6-24.3-178.6-61.7-140125.900113.6F206 G207 R208 S212 K213 L214F206-E210 HydrophobicContact CD1-CB 3.73Å; F206-E210 HydrophobicContact CE1-CB 4.36Å; G207-E210 PolarHBondContact O-N 3.28Å; R208-E210 VanDerWaalsContact C-N 3.34Å; E210-S212 PolarHBondContact O-N 2.73Å; E210-K213 WeakPolarHBondContact O-CA 3.2Å; E210-K213 WeakPolarHBondContact O-CB 3.19Å; E210-K213 PolarHBondContact O-N 3.38Å; E210-K213 IonicContact OE1-NZ 2.66Å; E210-K213 PolarHBondContact OE1-NZ 2.95Å; E210-L214 PolarHBondContact O-N 3.43Å
211I26.1Very low27.7Very low43 Ų4393.8 Ų93.822%0.22152%0.521CS..Hα-helixtrans-64.9-31.6173.9-55.5176.6000110.5P87 F206 K213 L214 T215P87-I211 HydrophobicContact CG-CG2 4.1Å; F206-I211 HydrophobicContact CB-CD1 4.31Å; F206-I211 HydrophobicContact CB-CG1 3.82Å; I211-K213 PolarHBondContact O-N 3.34Å; I211-K213 VanDerWaalsContact O-N 3.15Å; I211-L214 PolarHBondContact O-N 2.7Å; I211-T215 PolarHBondContact O-N 3.05Å; I211-T215 PolarHBondContact O-OG1 3.42Å
212S26Very low28.8Very low55 Ų5591.4 Ų91.439%0.38551%0.509SS..Hα-helixtrans-64.7-10.516976.70000114.6S209 E210 T215S209-S212 PolarHBondContact O-OG 3.16Å; E210-S212 PolarHBondContact O-N 2.73Å; S212-T215 VanDerWaalsContact O-O 3.08Å
213K25Very low30Very low135 Ų13584.9 Ų84.959%0.58747%0.474SS*.Hα-helixtrans-92.3-29.1169.6-58.5177.6-177.7166.90112.3E210 I211 T215E210-K213 WeakPolarHBondContact O-CA 3.2Å; E210-K213 WeakPolarHBondContact O-CB 3.19Å; E210-K213 PolarHBondContact O-N 3.38Å; E210-K213 IonicContact OE1-NZ 2.66Å; E210-K213 PolarHBondContact OE1-NZ 2.95Å; I211-K213 PolarHBondContact O-N 3.34Å; I211-K213 VanDerWaalsContact O-N 3.15Å; K213-T215 CarbonylContact C-O 3.55Å
214L27.6Very low31.4Very low118 Ų11881.4 Ų81.462%0.61845%0.446SS*.Hα-helixtrans-84.1-32.7-178.7-74.5169.7000113.1F206 E210 I211 P216F206-L214 HydrophobicContact CD2-CD1 4.31Å; F206-L214 HydrophobicContact CE2-CD1 4.11Å; F206-L214 HydrophobicContact CZ-CD1 4.24Å; E210-L214 PolarHBondContact O-N 3.43Å; I211-L214 PolarHBondContact O-N 2.7Å; L214-P216 WeakPolarHBondContact O-CD 3.46Å
215T27.4Very low33Very low65 Ų6578.5 Ų78.540%0.39943%0.427SS..SBendtrans-68.5114.8149.856.30000104.6P87 I211 S212 K213 K217P87-T215 HydrophobicContact CB-CG2 4.08Å; P87-T215 HydrophobicContact CG-CG2 4.31Å; I211-T215 PolarHBondContact O-N 3.05Å; I211-T215 PolarHBondContact O-OG1 3.42Å; S212-T215 VanDerWaalsContact O-O 3.08Å; K213-T215 CarbonylContact C-O 3.55Å; T215-K217 PolarHBondContact O-N 3.5Å; T215-K217 VanDerWaalsContact O-N 3.16Å
216P28.8Very low34.8Very low68 Ų6877.7 Ų77.744%0.44240%0.401SS..  trans-55.3136.8177.811.8-9.5000105.8L214 V218L214-P216 WeakPolarHBondContact O-CD 3.46Å; P216-V218 HydrophobicContact CB-CG2 3.56Å; P216-V218 HydrophobicContact CG-CG2 3.58Å; P216-V218 PolarHBondContact O-N 3.47Å
217K28.5Very low36.8Very low174 Ų17473.9 Ų73.976%0.75739%0.387SS*.  trans-64.355.8161.8-70.4-176.9177.9-179.90107.8T215 N219T215-K217 PolarHBondContact O-N 3.5Å; T215-K217 VanDerWaalsContact O-N 3.16Å; K217-N219 PolarHBondContact O-N 2.84Å
218V36Very low39.4Very low52 Ų5272.7 Ų72.732%0.31537%0.371SS..  trans-59.2131.9163.4-173.50000103.2P216 Y220P216-V218 HydrophobicContact CB-CG2 3.56Å; P216-V218 HydrophobicContact CG-CG2 3.58Å; P216-V218 PolarHBondContact O-N 3.47Å; V218-Y220 HydrophobicContact CB-CD2 4.28Å; V218-Y220 HydrophobicContact CB-CE2 4.35Å; V218-Y220 PolarHBondContact O-N 2.61Å
219N35.7Very low41.9Very low114 Ų11470.4 Ų70.461%0.6137%0.369SS*.  trans-64.568.7172-72.6-26.1000109.3K217 I221 N222K217-N219 PolarHBondContact O-N 2.84Å; N219-I221 HydrophobicContact CB-CB 4.15Å; N219-I221 HydrophobicContact CB-CD1 4.13Å; N219-I221 HydrophobicContact CB-CG1 4.13Å; N219-I221 PolarHBondContact O-N 3.49Å; N219-I221 WeakPolarHBondContact OD1-CD1 3.49Å; N219-N222 PolarHBondContact O-N 3.49Å
220Y40.9Very low44.6Very low79 Ų7970.9 Ų70.931%0.3137%0.368SS..THydrogen-bonded Turntrans-51-13.9157.4-83.1-80.9000111.3V218 N222 S223 V498 H502V218-Y220 HydrophobicContact CB-CD2 4.28Å; V218-Y220 HydrophobicContact CB-CE2 4.35Å; V218-Y220 PolarHBondContact O-N 2.61Å; Y220-N222 PolarHBondContact O-N 3.3Å; Y220-S223 PolarHBondContact O-N 3.28Å; Y220-S223 VanDerWaalsContact O-N 3.08Å; Y220-V498 HydrophobicContact CE1-CG1 4.33Å; Y220-H502 PolarHBondContact OH-CE1 3.09Å; Y220-H502 VanDerWaalsContact OH-CE1 3.23Å; Y220-H502 PolarHBondContact OH-NE2 2.92Å; Y220-H502 VanDerWaalsContact OH-NE2 3.14Å
221I44.2Very low47.5Very low72 Ų7268.2 Ų68.237%0.36936%0.357SS..THydrogen-bonded Turntrans-34.3-40.3168.5-58.9-179.1000111N219 L225 N278N219-I221 HydrophobicContact CB-CB 4.15Å; N219-I221 HydrophobicContact CB-CD1 4.13Å; N219-I221 HydrophobicContact CB-CG1 4.13Å; N219-I221 PolarHBondContact O-N 3.49Å; N219-I221 WeakPolarHBondContact OD1-CD1 3.49Å; I221-L225 WeakPolarHBondContact O-CD1 3.37Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; I221-N278 HydrophobicContact CG2-CB 4.39Å; I221-N278 WeakPolarHBondContact CG2-ND2 3.33Å
222N48.8Very low50.2Low93 Ų9369 Ų6950%0.49736%0.358SS..THydrogen-bonded Turntrans-98.8-25.2-177.7-68.5-7.9000116.1N219 Y220 H224 L225N219-N222 PolarHBondContact O-N 3.49Å; Y220-N222 PolarHBondContact O-N 3.3Å; N222-H224 VanDerWaalsContact C-N 3.27Å; N222-H224 PolarHBondContact O-N 2.88Å; N222-L225 PolarHBondContact O-N 2.81Å; N222-L225 VanDerWaalsContact O-N 3.07Å
223S49.7Very low53Low0 Ų071.5 Ų71.50%037%0.366CS..G310 helixtrans-68.8-28.6-176.880.80000113Y220 L225 F226 H444 N445Y220-S223 PolarHBondContact O-N 3.28Å; Y220-S223 VanDerWaalsContact O-N 3.08Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.04Å; S223-F226 VanDerWaalsContact O-CD2 3.25Å; S223-F226 WeakPolarHBondContact O-CD2 3.47Å; S223-H444 WeakPolarHBondContact CB-CD2 3.38Å; S223-N445 PolarHBondContact OG-OD1 2.87Å
224H52.4Low55.9Low41 Ų4167.5 Ų67.519%0.1935%0.353CS..G310 helixtrans-79.1-9.7175.1-68.1-52.8000114N222N222-H224 VanDerWaalsContact C-N 3.27Å; N222-H224 PolarHBondContact O-N 2.88Å
225L57.9Low58.7Low21 Ų2161.9 Ų61.911%0.1132%0.324CS..G310 helixtrans-97.1-7.8-174.7-73.3168.7000114.3I221 N222 S223 G227 L228 F275 N278I221-L225 WeakPolarHBondContact O-CD1 3.37Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; N222-L225 PolarHBondContact O-N 2.81Å; N222-L225 VanDerWaalsContact O-N 3.07Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.04Å; L225-G227 PolarHBondContact O-N 2.87Å; L225-G227 VanDerWaalsContact O-N 3.11Å; L225-L228 HydrophobicContact CD2-CD1 4.36Å; L225-L228 PolarHBondContact O-N 2.92Å; L225-L228 VanDerWaalsContact O-N 3.11Å; L225-F275 HydrophobicContact CD2-CB 3.87Å; L225-F275 HydrophobicContact CD2-CD2 3.47Å; L225-F275 VanDerWaalsContact CD2-CD2 3.47Å; L225-F275 HydrophobicContact CD2-CE2 4.45Å; L225-F275 HydrophobicContact CD2-CG 4.1Å; L225-N278 HydrophobicContact CD1-CB 3.78Å; L225-N278 VanDerWaalsContact CD1-CG 3.42Å; L225-N278 WeakPolarHBondContact CD1-ND2 3.23Å
226F60.4Low61.4Low64 Ų6460.4 Ų60.428%0.28131%0.313SS..THydrogen-bonded Turntrans-54.1121.5-179-74.9-64.6000111.5S223 Q440 I441 H444S223-F226 VanDerWaalsContact O-CD2 3.25Å; S223-F226 WeakPolarHBondContact O-CD2 3.47Å; F226-Q440 HydrophobicContact CD1-CB 4.36Å; F226-Q440 HydrophobicContact CG-CB 4.43Å; F226-I441 HydrophobicContact CB-CD1 4.4Å; F226-I441 HydrophobicContact CB-CG1 3.8Å; F226-I441 HydrophobicContact CD2-CG1 3.99Å; F226-I441 HydrophobicContact CG-CG1 4.31Å; F226-H444 HydrophobicContact CE2-CB 3.79Å; F226-H444 AromaticContact CE2-CG 3.79Å; F226-H444 HydrophobicContact CZ-CB 4.15Å
227G64.5Low64Low10 Ų1058.5 Ų58.510%0.10331%0.306CS..THydrogen-bonded Turntrans85.28.7174.900000116.1L225 D229 K437L225-G227 PolarHBondContact O-N 2.87Å; L225-G227 VanDerWaalsContact O-N 3.11Å; G227-D229 VanDerWaalsContact C-N 3.34Å; G227-K437 VanDerWaalsContact CA-CE 3.48Å; G227-K437 PolarHBondContact O-NZ 3.41Å
228L75.6Confident66.7Low16 Ų1651.6 Ų51.68%0.08428%0.275CS..  trans-93.412.2167.4-70.5174.3000112.6L225 T230 V231 R232 F275 I430L225-L228 HydrophobicContact CD2-CD1 4.36Å; L225-L228 PolarHBondContact O-N 2.92Å; L225-L228 VanDerWaalsContact O-N 3.11Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 3.02Å; L228-V231 HydrophobicContact CD2-CB 4.29Å; L228-V231 HydrophobicContact CD2-CG2 4.06Å; L228-V231 CarbonylContact O-C 3.37Å; L228-V231 WeakPolarHBondContact O-CA 3.49Å; L228-V231 WeakPolarHBondContact O-CB 3.11Å; L228-V231 PolarHBondContact O-N 3.29Å; L228-R232 WeakPolarHBondContact O-CB 3.46Å; L228-R232 PolarHBondContact O-N 3.06Å; L228-F275 HydrophobicContact CB-CD2 3.89Å; L228-F275 HydrophobicContact CB-CE2 3.93Å; L228-F275 HydrophobicContact CD1-CB 4.06Å; L228-F275 HydrophobicContact CD1-CD2 3.63Å; L228-F275 HydrophobicContact CD1-CE2 4.43Å; L228-F275 HydrophobicContact CD1-CG 4.09Å; L228-F275 HydrophobicContact CG-CD2 4.35Å; L228-I430 HydrophobicContact CD2-CD1 4.32Å; L228-I430 HydrophobicContact CD2-CG1 4.08Å; L228-I430 HydrophobicContact CD2-CG2 3.84Å
229D77.4Confident69Low91 Ų9149.1 Ų49.149%0.48726%0.26SS..Hα-helixtrans-59.5-42.8-176.2-52.4-62.4000112.2G227 V231 R232 D233G227-D229 VanDerWaalsContact C-N 3.34Å; D229-V231 VanDerWaalsContact C-N 3.31Å; D229-V231 PolarHBondContact O-N 2.74Å; D229-R232 CarbonylContact O-C 3.5Å; D229-R232 WeakPolarHBondContact O-CA 3.36Å; D229-R232 VanDerWaalsContact O-CB 3.26Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.29Å; D229-R232 VanDerWaalsContact O-N 3.14Å; D229-D233 VanDerWaalsContact O-CG 3.27Å; D229-D233 PolarHBondContact O-N 3.5Å
230T80.1Confident71.1Confident100 Ų10044.9 Ų44.961%0.61324%0.24SC*.Hα-helixtrans-63.7-37.6175.657.60000112.5L228 R232 V234L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 3.02Å; T230-R232 VanDerWaalsContact C-N 3.35Å; T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.3Å; T230-V234 PolarHBondContact O-N 2.82Å; T230-V234 VanDerWaalsContact O-N 3.09Å
231V83.8Confident72.9Confident21 Ų2145.8 Ų45.813%0.12725%0.25CS..Hα-helixtrans-69.9-38176.2179.50000110L228 D229 V234 I235 L264 F275 L428L228-V231 HydrophobicContact CD2-CB 4.29Å; L228-V231 HydrophobicContact CD2-CG2 4.06Å; L228-V231 CarbonylContact O-C 3.37Å; L228-V231 WeakPolarHBondContact O-CA 3.49Å; L228-V231 WeakPolarHBondContact O-CB 3.11Å; L228-V231 PolarHBondContact O-N 3.29Å; D229-V231 VanDerWaalsContact C-N 3.31Å; D229-V231 PolarHBondContact O-N 2.74Å; V231-V234 PolarHBondContact O-N 3.14Å; V231-I235 HydrophobicContact CG1-CD1 4Å; V231-I235 WeakPolarHBondContact O-CB 3.19Å; V231-I235 WeakPolarHBondContact O-CG1 3.24Å; V231-I235 PolarHBondContact O-N 2.88Å; V231-L264 HydrophobicContact CG1-CD2 3.89Å; V231-F275 HydrophobicContact CB-CZ 4.45Å; V231-F275 HydrophobicContact CG1-CE1 4.28Å; V231-F275 HydrophobicContact CG1-CE2 4.47Å; V231-F275 HydrophobicContact CG1-CZ 3.92Å; V231-L428 HydrophobicContact CG1-CD1 4.34Å
232R84.8Confident74.7Confident60 Ų6042.7 Ų42.723%0.22623%0.234CC..Hα-helixtrans-59.6-50.6173.3-169.2-175.81761585.5110.4L228 D229 T230 V234 I235 L236 F275 D282L228-R232 WeakPolarHBondContact O-CB 3.46Å; L228-R232 PolarHBondContact O-N 3.06Å; D229-R232 CarbonylContact O-C 3.5Å; D229-R232 WeakPolarHBondContact O-CA 3.36Å; D229-R232 VanDerWaalsContact O-CB 3.26Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.29Å; D229-R232 VanDerWaalsContact O-N 3.14Å; T230-R232 VanDerWaalsContact C-N 3.35Å; R232-V234 PolarHBondContact O-N 3.25Å; R232-I235 PolarHBondContact O-N 2.98Å; R232-L236 HydrophobicContact CG-CD1 3.82Å; R232-L236 HydrophobicContact CG-CG 4.18Å; R232-L236 WeakPolarHBondContact O-CB 3.48Å; R232-L236 VanDerWaalsContact O-CG 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.5Å; R232-L236 PolarHBondContact O-N 3.36Å; R232-F275 HydrophobicContact CB-CE2 3.97Å; R232-F275 HydrophobicContact CB-CZ 4.22Å; R232-D282 IonicContact CZ-OD2 3.87Å; R232-D282 IonicContact NH2-OD2 3.65Å; R232-D282 PolarHBondContact NH2-OD2 3.27Å
233D84Confident76.2Confident107 Ų10738.5 Ų38.557%0.57221%0.212SC*.Hα-helixtrans-61.5-42.2179.6-66.7-22.7000112.1D229 I235 L236 G237D229-D233 VanDerWaalsContact O-CG 3.27Å; D229-D233 PolarHBondContact O-N 3.5Å; D233-I235 PolarHBondContact O-N 3.06Å; D233-L236 PolarHBondContact O-N 3.45Å; D233-G237 PolarHBondContact O-N 3.5Å
234V85.3Confident77.3Confident51 Ų5141 Ų4131%0.30922%0.224SC..Hα-helixtrans-63.4-42.1176.2171.50000111.3T230 V231 R232 Y238 L428T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.3Å; T230-V234 PolarHBondContact O-N 2.82Å; T230-V234 VanDerWaalsContact O-N 3.09Å; V231-V234 PolarHBondContact O-N 3.14Å; R232-V234 PolarHBondContact O-N 3.25Å; V234-Y238 WeakPolarHBondContact O-CB 3.22Å; V234-Y238 PolarHBondContact O-N 2.92Å; V234-L428 HydrophobicContact CG1-CD1 3.97Å; V234-L428 HydrophobicContact CG1-CD2 4.43Å
235I86.5Confident78.3Confident0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-73.5-41.1179.6-72.2173.9000111.2V231 R232 D233 Y238 L239 L264 F275 I279 L405 L428V231-I235 HydrophobicContact CG1-CD1 4Å; V231-I235 WeakPolarHBondContact O-CB 3.19Å; V231-I235 WeakPolarHBondContact O-CG1 3.24Å; V231-I235 PolarHBondContact O-N 2.88Å; R232-I235 PolarHBondContact O-N 2.98Å; D233-I235 PolarHBondContact O-N 3.06Å; I235-Y238 PolarHBondContact O-N 3.4Å; I235-L239 HydrophobicContact CG2-CD1 4.01Å; I235-L239 HydrophobicContact CG2-CG 4.21Å; I235-L239 WeakPolarHBondContact O-CB 3.4Å; I235-L239 VanDerWaalsContact O-CG 3.28Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 3.31Å; I235-L264 HydrophobicContact CD1-CD1 3.92Å; I235-L264 HydrophobicContact CD1-CD2 3.7Å; I235-L264 HydrophobicContact CD1-CG 4.13Å; I235-F275 HydrophobicContact CD1-CE1 3.49Å; I235-F275 VanDerWaalsContact CD1-CE1 3.49Å; I235-F275 HydrophobicContact CD1-CZ 3.96Å; I235-I279 HydrophobicContact CB-CD1 4.4Å; I235-I279 HydrophobicContact CG2-CD1 3.69Å; I235-L405 HydrophobicContact CG2-CD1 4.25Å; I235-L428 HydrophobicContact CD1-CD1 4.33Å; I235-L428 HydrophobicContact CG1-CD1 4.18Å
236L83.8Confident79.1Confident34 Ų3440.1 Ų40.118%0.17822%0.223CC..Hα-helixtrans-63.3-42.1175-71.5179.1000111.2R232 D233 Y238 L239 S240 L286R232-L236 HydrophobicContact CG-CD1 3.82Å; R232-L236 HydrophobicContact CG-CG 4.18Å; R232-L236 WeakPolarHBondContact O-CB 3.48Å; R232-L236 VanDerWaalsContact O-CG 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.5Å; R232-L236 PolarHBondContact O-N 3.36Å; D233-L236 PolarHBondContact O-N 3.45Å; L236-Y238 VanDerWaalsContact C-N 3.32Å; L236-Y238 PolarHBondContact O-N 2.89Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-S240 WeakPolarHBondContact O-CB 3.45Å; L236-S240 PolarHBondContact O-N 3.49Å; L236-S240 PolarHBondContact O-OG 2.93Å; L236-L286 HydrophobicContact CD2-CD2 3.6Å; L236-L286 HydrophobicContact CD2-CG 3.87Å
237G83.4Confident79.4Confident28 Ų2840.5 Ų40.529%0.28923%0.231SC..Hα-helixtrans-65.4-33.3173.800000113.2D233 S240 N241D233-G237 PolarHBondContact O-N 3.5Å; G237-S240 WeakPolarHBondContact CA-OG 2.95Å; G237-S240 PolarHBondContact O-OG 3.32Å; G237-N241 VanDerWaalsContact O-CG 3.29Å; G237-N241 PolarHBondContact O-N 2.96Å; G237-N241 PolarHBondContact O-ND2 3.35Å; G237-N241 VanDerWaalsContact O-ND2 3.11Å
238Y85.5Confident79.3Confident29 Ų2946 Ų4611%0.11425%0.254CS..Hα-helixtrans-71.3-43.7172.6171.2-103.7000112V234 I235 L236 S240 N241 F242 P260 I262 C403 L405 Y425V234-Y238 WeakPolarHBondContact O-CB 3.22Å; V234-Y238 PolarHBondContact O-N 2.92Å; I235-Y238 PolarHBondContact O-N 3.4Å; L236-Y238 VanDerWaalsContact C-N 3.32Å; L236-Y238 PolarHBondContact O-N 2.89Å; Y238-S240 VanDerWaalsContact C-N 3.34Å; Y238-S240 PolarHBondContact O-N 3.3Å; Y238-N241 PolarHBondContact O-N 3.49Å; Y238-F242 PolarHBondContact O-N 2.95Å; Y238-P260 PolarHBondContact OH-O 2.92Å; Y238-I262 HydrophobicContact CD1-CD1 3.43Å; Y238-I262 VanDerWaalsContact CD1-CD1 3.43Å; Y238-I262 HydrophobicContact CD1-CG1 3.9Å; Y238-I262 HydrophobicContact CD2-CD1 3.94Å; Y238-I262 HydrophobicContact CD2-CG1 4.43Å; Y238-I262 HydrophobicContact CE1-CD1 4.03Å; Y238-I262 HydrophobicContact CE1-CG1 3.96Å; Y238-I262 HydrophobicContact CE2-CD1 4.49Å; Y238-I262 HydrophobicContact CE2-CG1 4.5Å; Y238-I262 HydrophobicContact CG-CD1 3.4Å; Y238-I262 HydrophobicContact CG-CG1 4.16Å; Y238-C403 WeakPolarHBondContact CE1-SG 3.32Å; Y238-L405 HydrophobicContact CE1-CD2 4.39Å; Y238-Y425 HydrophobicContact CD2-CE1 4.02Å; Y238-Y425 WeakPolarHBondContact CD2-OH 3.39Å; Y238-Y425 AromaticContact CE2-CE1 3.58Å; Y238-Y425 HydrophobicContact CE2-CE1 3.58Å
239L83.8Confident78.2Confident0 Ų047.8 Ų47.80%028%0.276CS..Hα-helixtrans-65.3-36.9176.6-71.7-179.7000111.6I235 L236 F242 L243 I279 L286 I341 L405I235-L239 HydrophobicContact CG2-CD1 4.01Å; I235-L239 HydrophobicContact CG2-CG 4.21Å; I235-L239 WeakPolarHBondContact O-CB 3.4Å; I235-L239 VanDerWaalsContact O-CG 3.28Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 3.31Å; L236-L239 PolarHBondContact O-N 3.49Å; L239-F242 WeakPolarHBondContact O-CB 2.96Å; L239-F242 PolarHBondContact O-N 3.34Å; L239-L243 WeakPolarHBondContact O-CB 3.42Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.3Å; L239-I279 HydrophobicContact CD1-CG2 4Å; L239-L286 HydrophobicContact CB-CD2 4.05Å; L239-L286 HydrophobicContact CD1-CD1 4.43Å; L239-L286 HydrophobicContact CD1-CD2 4.08Å; L239-I341 HydrophobicContact CD1-CD1 4.27Å; L239-I341 HydrophobicContact CD2-CD1 3.67Å; L239-I341 HydrophobicContact CD2-CG1 4.18Å; L239-I341 HydrophobicContact CD2-CG2 4.5Å; L239-L405 HydrophobicContact CD1-CD1 4.47Å; L239-L405 HydrophobicContact CD2-CD1 4.36Å
240S79.8Confident76.8Confident25 Ų2550.6 Ų50.618%0.17529%0.291CS..Hα-helixtrans-65.4-42.5175.667.30000112.1L236 G237 Y238 F242 L243 L244 I290L236-S240 WeakPolarHBondContact O-CB 3.45Å; L236-S240 PolarHBondContact O-N 3.49Å; L236-S240 PolarHBondContact O-OG 2.93Å; G237-S240 WeakPolarHBondContact CA-OG 2.95Å; G237-S240 PolarHBondContact O-OG 3.32Å; Y238-S240 VanDerWaalsContact C-N 3.34Å; Y238-S240 PolarHBondContact O-N 3.3Å; S240-F242 VanDerWaalsContact C-N 3.34Å; S240-F242 PolarHBondContact O-N 2.65Å; S240-L243 PolarHBondContact O-N 3.5Å; S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 3Å; S240-I290 VanDerWaalsContact CB-CD1 3.44Å
241N80.4Confident75Confident99 Ų9953.1 Ų53.153%0.52930%0.301SS..Hα-helixtrans-62.4-40.8172.5-73.2-28.6000111.9G237 Y238 L244 T245G237-N241 VanDerWaalsContact O-CG 3.29Å; G237-N241 PolarHBondContact O-N 2.96Å; G237-N241 PolarHBondContact O-ND2 3.35Å; G237-N241 VanDerWaalsContact O-ND2 3.11Å; Y238-N241 PolarHBondContact O-N 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.06Å; N241-L244 PolarHBondContact O-N 3.25Å; N241-T245 WeakPolarHBondContact O-CG2 3.45Å; N241-T245 PolarHBondContact O-N 2.93Å; N241-T245 VanDerWaalsContact O-N 3.1Å
242F81.6Confident73.2Confident6 Ų656.1 Ų56.13%0.02632%0.319CS..Hα-helixtrans-61.4-45.7174.2171.6-106.8000112Y238 L239 S240 L244 T245 C246 T259 P339 I341 R401 C403Y238-F242 PolarHBondContact O-N 2.95Å; L239-F242 WeakPolarHBondContact O-CB 2.96Å; L239-F242 PolarHBondContact O-N 3.34Å; S240-F242 VanDerWaalsContact C-N 3.34Å; S240-F242 PolarHBondContact O-N 2.65Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.28Å; F242-T245 PolarHBondContact O-N 3.03Å; F242-T245 VanDerWaalsContact O-N 3.17Å; F242-T245 PolarHBondContact O-OG1 3.32Å; F242-C246 PolarHBondContact O-N 3.47Å; F242-C246 PolarHBondContact O-SG 3.48Å; F242-C246 VanDerWaalsContact O-SG 3.4Å; F242-T259 HydrophobicContact CD2-CG2 3.84Å; F242-T259 VanDerWaalsContact CD2-OG1 3.27Å; F242-T259 WeakPolarHBondContact CD2-OG1 3.49Å; F242-T259 HydrophobicContact CE2-CG2 3.99Å; F242-T259 VanDerWaalsContact CE2-OG1 3.23Å; F242-T259 WeakPolarHBondContact CE2-OG1 3.46Å; F242-P339 HydrophobicContact CD1-CB 4.5Å; F242-P339 HydrophobicContact CE1-CB 3.71Å; F242-P339 HydrophobicContact CZ-CB 4.33Å; F242-I341 HydrophobicContact CE1-CG1 4.31Å; F242-R401 HydrophobicContact CE2-CB 4.5Å; F242-R401 HydrophobicContact CE2-CG 3.99Å; F242-R401 HydrophobicContact CZ-CB 4.42Å; F242-R401 HydrophobicContact CZ-CG 4.4Å; F242-C403 HydrophobicContact CD1-CB 3.94Å; F242-C403 HydrophobicContact CD2-CB 3.78Å; F242-C403 HydrophobicContact CE1-CB 3.7Å; F242-C403 HydrophobicContact CE2-CB 3.55Å; F242-C403 HydrophobicContact CG-CB 3.97Å; F242-C403 HydrophobicContact CZ-CB 3.51Å
243L79.3Confident71.4Confident6 Ų660 Ų603%0.03135%0.349CS..Hα-helixtrans-62.3-39.5176.5-69169.3000111.7L239 S240 T245 C246 V247 I290 Y294 P297 P339L239-L243 WeakPolarHBondContact O-CB 3.42Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.3Å; S240-L243 PolarHBondContact O-N 3.5Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.34Å; L243-C246 WeakPolarHBondContact O-CB 3.5Å; L243-C246 PolarHBondContact O-N 3.36Å; L243-C246 VanDerWaalsContact O-N 3.09Å; L243-V247 PolarHBondContact O-N 3.15Å; L243-I290 HydrophobicContact CD1-CD1 3.72Å; L243-Y294 HydrophobicContact CB-CD1 4.22Å; L243-P297 HydrophobicContact CD2-CB 4.14Å; L243-P297 HydrophobicContact CD2-CG 4.36Å; L243-P339 HydrophobicContact CD2-CB 3.69Å; L243-P339 HydrophobicContact CD2-CG 3.54Å
244L74.2Confident69.5Low51 Ų5160.5 Ų60.527%0.26735%0.346SS..Hα-helixtrans-58.6-39.9173.4-82.3166.9000112.7S240 N241 F242 C246 V247 H248 Y294S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 3Å; N241-L244 WeakPolarHBondContact O-CB 3.06Å; N241-L244 PolarHBondContact O-N 3.25Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.28Å; L244-C246 PolarHBondContact O-N 3.25Å; L244-V247 PolarHBondContact O-N 3.15Å; L244-H248 PolarHBondContact O-CD2 2.98Å; L244-H248 PolarHBondContact O-N 3.36Å; L244-H248 VanDerWaalsContact O-N 3.17Å; L244-Y294 HydrophobicContact CD2-CE1 3.59Å; L244-Y294 VanDerWaalsContact CD2-OH 3.29Å; L244-Y294 WeakPolarHBondContact CD2-OH 3.47Å; L244-Y294 HydrophobicContact CG-CE1 3.82Å
245T73.5Confident67.8Low34 Ų3464.1 Ų64.121%0.20937%0.374CS..Hα-helixtrans-65.6-24.8176.965.10000113.2N241 F242 L243N241-T245 WeakPolarHBondContact O-CG2 3.45Å; N241-T245 PolarHBondContact O-N 2.93Å; N241-T245 VanDerWaalsContact O-N 3.1Å; F242-T245 PolarHBondContact O-N 3.03Å; F242-T245 VanDerWaalsContact O-N 3.17Å; F242-T245 PolarHBondContact O-OG1 3.32Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.34Å
246C72.9Confident66.3Low10 Ų1066.7 Ų66.77%0.06839%0.392CS..Hα-helixtrans-78.4-30.7176.4-58.80000112.1F242 L243 L244 C337F242-C246 PolarHBondContact O-N 3.47Å; F242-C246 PolarHBondContact O-SG 3.48Å; F242-C246 VanDerWaalsContact O-SG 3.4Å; L243-C246 WeakPolarHBondContact O-CB 3.5Å; L243-C246 PolarHBondContact O-N 3.36Å; L243-C246 VanDerWaalsContact O-N 3.09Å; L244-C246 PolarHBondContact O-N 3.25Å; C246-C337 HydrophobicContact CB-CB 4.4Å; C246-C337 WeakPolarHBondContact O-CB 3.38Å
247V66.6Low65.2Low73 Ų7368.1 Ų68.144%0.44240%0.4SS..Hα-helixtrans-76.4-43.3179.6176.30000111.6L243 L244 G249 Y294L243-V247 PolarHBondContact O-N 3.15Å; L244-V247 PolarHBondContact O-N 3.15Å; V247-G249 PolarHBondContact O-N 2.5Å; V247-Y294 HydrophobicContact CG2-CD1 4.08Å; V247-Y294 HydrophobicContact CG2-CE1 4.49Å
248H63Low64.2Low125 Ų12567.8 Ų67.858%0.57939%0.391SS*.THydrogen-bonded Turntrans-84.337.4-177.5-68.6-64.2000113.7L244 N250L244-H248 PolarHBondContact O-CD2 2.98Å; L244-H248 PolarHBondContact O-N 3.36Å; L244-H248 VanDerWaalsContact O-N 3.17Å; H248-N250 PolarHBondContact O-N 2.89Å
249G53.4Low63.4Low54 Ų5466.9 Ų66.956%0.55739%0.389SS*.THydrogen-bonded Turntrans-55.516.2-158.100000121V247V247-G249 PolarHBondContact O-N 2.5Å
250N47.1Very low63.1Low149 Ų14968.6 Ų68.680%0.79740%0.4SS*.THydrogen-bonded Turntrans-118.9-17.9-172.5-77.5-3.8000118.6H248H248-N250 PolarHBondContact O-N 2.89Å
251D43.1Very low63.2Low154 Ų15467.4 Ų67.482%0.82439%0.392SS*.  trans-146.411-167.5-83-47000119.6
252T45.3Very low63.7Low83 Ų8362.7 Ų62.751%0.50937%0.367SS..  trans-106.3105.9-16959.50000115.6F254T252-F254 PolarHBondContact O-N 3.11Å
253V48Very low64.1Low142 Ų14262.4 Ų62.486%0.86137%0.365SS*.SBendtrans33.8-29.6147-170.60000121.7S255V253-S255 PolarHBondContact O-N 3.32Å
254F44.2Very low64.6Low117 Ų11762.2 Ų62.251%0.51336%0.364SS..  trans-83.996.6177.9-66.7-74.6000110.1T252 S256T252-F254 PolarHBondContact O-N 3.11Å; F254-S256 PolarHBondContact O-N 3.11Å; F254-S256 VanDerWaalsContact O-N 3.09Å
255S48.9Very low65.1Low128 Ų12860.2 Ų60.290%0.89535%0.353SS*.  trans-61.6-11.8176.357.80000114.3V253V253-S255 PolarHBondContact O-N 3.32Å
256S55.1Low65.5Low53 Ų5358.6 Ų58.637%0.37134%0.343SS..SBendtrans-96.5137.1178.961.10000112.5F254 I258 R401F254-S256 PolarHBondContact O-N 3.11Å; F254-S256 VanDerWaalsContact O-N 3.09Å; S256-I258 PolarHBondContact O-N 3.27Å; S256-I258 PolarHBondContact OG-O 3.3Å; S256-R401 PolarHBondContact O-NH1 3.48Å
257N59.8Low65.8Low64 Ų6458.7 Ų58.734%0.34234%0.343SS..SBendtrans-69-18.7174.3-67.6-14.4000112.8S389N257-S389 WeakPolarHBondContact CB-OG 3.2Å; N257-S389 PolarHBondContact ND2-OG 3.45Å
258I62.3Low66.3Low21 Ų2158.1 Ų58.111%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-99.1120.3174-56.3175.4000107.8S256 I382 I385 I404S256-I258 PolarHBondContact O-N 3.27Å; S256-I258 PolarHBondContact OG-O 3.3Å; I258-I382 HydrophobicContact CD1-CG2 4.01Å; I258-I385 HydrophobicContact CD1-CB 4.22Å; I258-I385 HydrophobicContact CD1-CD1 4.28Å; I258-I385 HydrophobicContact CD1-CG2 3.78Å; I258-I385 HydrophobicContact CG1-CG2 3.63Å; I258-I404 HydrophobicContact CG2-CD1 4.45Å
259T68.9Low67Low10 Ų1053.3 Ų53.36%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-76.4133.7166.750.40000109F242 G261 F402F242-T259 HydrophobicContact CD2-CG2 3.84Å; F242-T259 VanDerWaalsContact CD2-OG1 3.27Å; F242-T259 WeakPolarHBondContact CD2-OG1 3.49Å; F242-T259 HydrophobicContact CE2-CG2 3.99Å; F242-T259 VanDerWaalsContact CE2-OG1 3.23Å; F242-T259 WeakPolarHBondContact CE2-OG1 3.46Å; T259-G261 PolarHBondContact O-N 2.92Å; T259-F402 PolarHBondContact N-O 2.87Å; T259-F402 VanDerWaalsContact N-O 3.16Å; T259-F402 PolarHBondContact OG1-O 3.32Å
260P77.1Confident68.3Low36 Ų3651 Ų5123%0.23430%0.3CS..EExtended strand (participates in β ladder)trans-63.1129.2-176.727.7-35.4000110.3Y238 L423 Y425Y238-P260 PolarHBondContact OH-O 2.92Å; P260-L423 CarbonylContact C-O 3.51Å; P260-Y425 HydrophobicContact CB-CD1 4.03Å; P260-Y425 HydrophobicContact CB-CG 4.3Å; P260-Y425 HydrophobicContact CG-CD1 4.07Å; P260-Y425 HydrophobicContact CG-CG 4.28Å; P260-Y425 WeakPolarHBondContact O-CD1 3.32Å
261G83.7Confident69.8Low0 Ų044.4 Ų44.40%027%0.268CS..EExtended strand (participates in β ladder)trans-80.5178.7-172.200000115.5T259 I404 L423 F424 Y425T259-G261 PolarHBondContact O-N 2.92Å; G261-I404 CarbonylContact C-O 3.6Å; G261-I404 WeakPolarHBondContact CA-O 3.06Å; G261-L423 PolarHBondContact N-O 3.32Å; G261-F424 WeakPolarHBondContact O-CA 3.1Å; G261-Y425 VanDerWaalsContact O-CD1 3.31Å; G261-Y425 WeakPolarHBondContact O-CD1 3.34Å; G261-Y425 PolarHBondContact O-N 2.96Å
262I89.4Confident71.9Confident1 Ų137.6 Ų37.61%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-113.8135.8173.9-58.7-174.8000109.6Y238 I404 L405 A406 Y425 R426 L428Y238-I262 HydrophobicContact CD1-CD1 3.43Å; Y238-I262 VanDerWaalsContact CD1-CD1 3.43Å; Y238-I262 HydrophobicContact CD1-CG1 3.9Å; Y238-I262 HydrophobicContact CD2-CD1 3.94Å; Y238-I262 HydrophobicContact CD2-CG1 4.43Å; Y238-I262 HydrophobicContact CE1-CD1 4.03Å; Y238-I262 HydrophobicContact CE1-CG1 3.96Å; Y238-I262 HydrophobicContact CE2-CD1 4.49Å; Y238-I262 HydrophobicContact CE2-CG1 4.5Å; Y238-I262 HydrophobicContact CG-CD1 3.4Å; Y238-I262 HydrophobicContact CG-CG1 4.16Å; I262-I404 PolarHBondContact N-O 3.36Å; I262-I404 VanDerWaalsContact N-O 3.08Å; I262-L405 HydrophobicContact CB-CD2 3.93Å; I262-L405 WeakPolarHBondContact O-CA 3.36Å; I262-A406 PolarHBondContact O-N 2.96Å; I262-Y425 HydrophobicContact CD1-CE1 4.39Å; I262-Y425 HydrophobicContact CG1-CE1 3.81Å; I262-R426 WeakPolarHBondContact CA-O 3.4Å; I262-R426 HydrophobicContact CG1-CB 4.31Å; I262-L428 HydrophobicContact CG2-CD1 3.75Å; I262-L428 HydrophobicContact CG2-CG 3.94Å
263I90.4Very high73.7Confident0 Ų039.6 Ų39.60%023%0.229CC..EExtended strand (participates in β ladder)trans-110.2125172.2-169.6166.5000111.5I347 A406 A408 V414 F415 F424 R426 R427 L428I263-I347 HydrophobicContact CD1-CG2 3.97Å; I263-A406 WeakPolarHBondContact CA-O 3.39Å; I263-A406 HydrophobicContact CB-CB 4.43Å; I263-A406 HydrophobicContact CD1-CB 4.33Å; I263-A406 HydrophobicContact CG1-CB 4.03Å; I263-A408 HydrophobicContact CD1-CB 4.01Å; I263-A408 HydrophobicContact CG1-CB 4.44Å; I263-V414 HydrophobicContact CD1-CG1 4.08Å; I263-F415 HydrophobicContact CD1-CE2 4.31Å; I263-F415 HydrophobicContact CG2-CE2 3.9Å; I263-F415 HydrophobicContact CG2-CZ 3.91Å; I263-F424 HydrophobicContact CB-CB 4.4Å; I263-F424 HydrophobicContact CB-CD1 3.93Å; I263-F424 HydrophobicContact CB-CD2 4.41Å; I263-F424 HydrophobicContact CB-CE1 4.3Å; I263-F424 HydrophobicContact CB-CG 4Å; I263-F424 HydrophobicContact CD1-CD2 4.32Å; I263-F424 HydrophobicContact CD1-CE2 4.26Å; I263-F424 HydrophobicContact CG2-CB 4.16Å; I263-F424 HydrophobicContact CG2-CG 4.27Å; I263-R426 PolarHBondContact N-O 3.19Å; I263-R427 HydrophobicContact CG2-CB 3.87Å; I263-R427 WeakPolarHBondContact O-CA 3.18Å; I263-L428 PolarHBondContact O-N 2.79Å
264L89.7Confident75.2Confident2 Ų235.4 Ų35.41%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-92.6115.6173-64.9-178.9000109.7V231 I235 F275 L276 A406 T407 A408 L428 I430V231-L264 HydrophobicContact CG1-CD2 3.89Å; I235-L264 HydrophobicContact CD1-CD1 3.92Å; I235-L264 HydrophobicContact CD1-CD2 3.7Å; I235-L264 HydrophobicContact CD1-CG 4.13Å; L264-F275 HydrophobicContact CD1-CD1 3.58Å; L264-F275 HydrophobicContact CD1-CE1 3.76Å; L264-L276 HydrophobicContact CD1-CD2 3.79Å; L264-L276 HydrophobicContact CD1-CG 4.17Å; L264-A406 PolarHBondContact N-O 3.21Å; L264-T407 HydrophobicContact CB-CG2 4.1Å; L264-T407 HydrophobicContact CD1-CG2 4.49Å; L264-T407 CarbonylContact O-C 3.57Å; L264-T407 WeakPolarHBondContact O-CA 3.42Å; L264-A408 PolarHBondContact O-N 2.91Å; L264-L428 WeakPolarHBondContact CA-O 3.45Å; L264-L428 HydrophobicContact CD2-CB 3.69Å; L264-L428 HydrophobicContact CD2-CD1 3.92Å; L264-L428 HydrophobicContact CD2-CG 4.35Å; L264-I430 HydrophobicContact CB-CD1 3.98Å; L264-I430 HydrophobicContact CD1-CD1 4.14Å; L264-I430 HydrophobicContact CD2-CD1 4.26Å; L264-I430 HydrophobicContact CG-CD1 4.36Å
265Y85.8Confident77.2Confident8 Ų830 Ų303%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-126160.6-179.877.7-77.7000113A408 I411 R427 L428 L429 I430Y265-A408 VanDerWaalsContact CA-O 3.22Å; Y265-A408 WeakPolarHBondContact CA-O 3.37Å; Y265-I411 VanDerWaalsContact CB-CG2 3.47Å; Y265-I411 HydrophobicContact CD1-CG2 3.63Å; Y265-I411 HydrophobicContact CD2-CB 4.45Å; Y265-I411 HydrophobicContact CD2-CD1 4.36Å; Y265-I411 HydrophobicContact CD2-CG1 4.12Å; Y265-I411 HydrophobicContact CD2-CG2 3.65Å; Y265-I411 HydrophobicContact CE1-CD1 4.26Å; Y265-I411 HydrophobicContact CE1-CG2 4.24Å; Y265-I411 HydrophobicContact CE2-CD1 3.87Å; Y265-I411 HydrophobicContact CE2-CG1 4.03Å; Y265-I411 HydrophobicContact CE2-CG2 4.24Å; Y265-I411 HydrophobicContact CG-CG2 3.29Å; Y265-R427 HydrophobicContact CD1-CB 4.13Å; Y265-R427 HydrophobicContact CE1-CB 3.78Å; Y265-R427 HydrophobicContact CE1-CG 4.08Å; Y265-L428 WeakPolarHBondContact CD1-O 3.22Å; Y265-L428 PolarHBondContact N-O 3.25Å; Y265-L429 HydrophobicContact CD2-CD1 3.94Å; Y265-L429 HydrophobicContact CE1-CB 3.89Å; Y265-L429 HydrophobicContact CE2-CB 4.22Å; Y265-L429 HydrophobicContact CE2-CD1 3.65Å; Y265-L429 HydrophobicContact CE2-CG 4.44Å; Y265-L429 CarbonylContact O-C 3.6Å; Y265-L429 WeakPolarHBondContact O-CA 3.33Å; Y265-I430 PolarHBondContact O-N 2.93Å
266G81Confident78.8Confident0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans148.5-172.8178.900000112.2K272 A408 T409G266-K272 PolarHBondContact O-NZ 3.21Å; G266-A408 PolarHBondContact N-O 3.14Å; G266-T409 WeakPolarHBondContact O-CA 3.22Å
267L79.1Confident80.1Confident13 Ų1324.8 Ų24.87%0.06814%0.136CC..  trans-58.6144.8-175.4-65.6169.4000112.5C270 K272 L432 N547 V656 H657 A660L267-C270 PolarHBondContact O-SG 3.44Å; L267-K272 PolarHBondContact O-NZ 2.88Å; L267-L432 HydrophobicContact CD1-CD1 3.65Å; L267-L432 HydrophobicContact CD1-CD2 3.94Å; L267-L432 HydrophobicContact CD1-CG 3.8Å; L267-N547 HydrophobicContact CD1-CB 4.31Å; L267-N547 HydrophobicContact CD2-CB 4.22Å; L267-V656 HydrophobicContact CD2-CG1 4.39Å; L267-H657 HydrophobicContact CD1-CB 4.43Å; L267-H657 HydrophobicContact CD2-CB 4.17Å; L267-A660 HydrophobicContact CD1-CB 3.81Å; L267-A660 HydrophobicContact CG-CB 4.1Å
268P77.6Confident81Confident61 Ų6122.2 Ų22.240%0.39612%0.122SC..THydrogen-bonded Turntrans-65.2145.2173.129.2-33.9000109.9T409 N547P268-T409 HydrophobicContact CB-CG2 4.25Å; P268-N547 VanDerWaalsContact CD-OD1 3.24Å; P268-N547 WeakPolarHBondContact CD-OD1 3.14Å; P268-N547 WeakPolarHBondContact CG-OD1 3.38Å; P268-N547 PolarHBondContact O-ND2 2.8Å
269G76.8Confident81.9Confident24 Ų2421.5 Ų21.525%0.24712%0.118CC..THydrogen-bonded Turntrans91-7.6-176.800000115.2G271 K495G269-G271 PolarHBondContact O-N 3.5Å; G269-K495 WeakPolarHBondContact O-CB 3.34Å; G269-K495 PolarHBondContact O-N 2.75Å
270C80.3Confident82.3Confident4 Ų421.6 Ų21.63%0.02712%0.121CC..SBendtrans-77.916174.2-56.90000115.3L267 K272 I430L267-C270 PolarHBondContact O-SG 3.44Å; C270-K272 VanDerWaalsContact C-N 3.32Å; C270-K272 HydrophobicContact CB-CG 4.48Å; C270-K272 PolarHBondContact O-N 3.3Å; C270-I430 HydrophobicContact CB-CG2 3.66Å
271G79.9Confident82.1Confident12 Ų1225.4 Ų25.412%0.12414%0.139CC..SBendtrans7115.2175.700000116.5G269 R273 T274 F275G269-G271 PolarHBondContact O-N 3.5Å; G271-R273 VanDerWaalsContact C-N 3.35Å; G271-R273 PolarHBondContact O-N 3.46Å; G271-T274 VanDerWaalsContact C-OG1 3.25Å; G271-T274 WeakPolarHBondContact CA-OG1 3.39Å; G271-T274 PolarHBondContact O-N 2.84Å; G271-T274 PolarHBondContact O-OG1 3.26Å; G271-F275 VanDerWaalsContact O-CB 3.22Å; G271-F275 WeakPolarHBondContact O-CB 3.16Å; G271-F275 PolarHBondContact O-N 2.78Å
272K86.2Confident81.2Confident11 Ų1127.6 Ų27.65%0.04815%0.151CC..Hα-helixtrans-57.6-43.1-176.3-43.1-172-73.5-86.10113.9G266 L267 C270 L276 T407 A408 I430G266-K272 PolarHBondContact O-NZ 3.21Å; L267-K272 PolarHBondContact O-NZ 2.88Å; C270-K272 VanDerWaalsContact C-N 3.32Å; C270-K272 HydrophobicContact CB-CG 4.48Å; C270-K272 PolarHBondContact O-N 3.3Å; K272-L276 PolarHBondContact O-N 2.92Å; K272-T407 HydrophobicContact CB-CG2 3.81Å; K272-A408 WeakPolarHBondContact CE-O 3.44Å; K272-I430 HydrophobicContact CB-CD1 3.88Å; K272-I430 HydrophobicContact CD-CB 4.5Å; K272-I430 HydrophobicContact CD-CD1 4.07Å; K272-I430 HydrophobicContact CG-CB 4.37Å; K272-I430 HydrophobicContact CG-CD1 3.55Å
273R83.1Confident79.5Confident125 Ų12530 Ų3047%0.47216%0.162SC..Hα-helixtrans-70.6-47.9178.5176.5179.6169.51633.5111.1G271 F275 L276 E277 P345G271-R273 VanDerWaalsContact C-N 3.35Å; G271-R273 PolarHBondContact O-N 3.46Å; R273-F275 PolarHBondContact O-N 3.31Å; R273-L276 PolarHBondContact O-N 3.31Å; R273-L276 VanDerWaalsContact O-N 3.14Å; R273-E277 HydrophobicContact CG-CG 4.49Å; R273-E277 IonicContact CZ-OE1 2.82Å; R273-E277 IonicContact NE-OE1 3.96Å; R273-E277 PolarHBondContact NE-OE1 3.11Å; R273-E277 IonicContact NH2-OE1 3.81Å; R273-E277 PolarHBondContact NH2-OE1 3.11Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 3.5Å; R273-P345 HydrophobicContact CG-CB 4.39Å
274T81.1Confident77.5Confident54 Ų5436.7 Ų36.733%0.33120%0.196SC..Hα-helixtrans-60.7-30.4177.648.20000111.3G271 N278G271-T274 VanDerWaalsContact C-OG1 3.25Å; G271-T274 WeakPolarHBondContact CA-OG1 3.39Å; G271-T274 PolarHBondContact O-N 2.84Å; G271-T274 PolarHBondContact O-OG1 3.26Å; T274-N278 WeakPolarHBondContact O-CB 3.38Å; T274-N278 PolarHBondContact O-N 2.82Å
275F85.2Confident75.6Confident2 Ų241.2 Ų41.21%0.00922%0.217CC..Hα-helixtrans-65.7-47.6173.2174.2-85.7000112.8L225 L228 V231 R232 I235 L264 G271 R273 E277 N278 I279L225-F275 HydrophobicContact CD2-CB 3.87Å; L225-F275 HydrophobicContact CD2-CD2 3.47Å; L225-F275 VanDerWaalsContact CD2-CD2 3.47Å; L225-F275 HydrophobicContact CD2-CE2 4.45Å; L225-F275 HydrophobicContact CD2-CG 4.1Å; L228-F275 HydrophobicContact CB-CD2 3.89Å; L228-F275 HydrophobicContact CB-CE2 3.93Å; L228-F275 HydrophobicContact CD1-CB 4.06Å; L228-F275 HydrophobicContact CD1-CD2 3.63Å; L228-F275 HydrophobicContact CD1-CE2 4.43Å; L228-F275 HydrophobicContact CD1-CG 4.09Å; L228-F275 HydrophobicContact CG-CD2 4.35Å; V231-F275 HydrophobicContact CB-CZ 4.45Å; V231-F275 HydrophobicContact CG1-CE1 4.28Å; V231-F275 HydrophobicContact CG1-CE2 4.47Å; V231-F275 HydrophobicContact CG1-CZ 3.92Å; R232-F275 HydrophobicContact CB-CE2 3.97Å; R232-F275 HydrophobicContact CB-CZ 4.22Å; I235-F275 HydrophobicContact CD1-CE1 3.49Å; I235-F275 VanDerWaalsContact CD1-CE1 3.49Å; I235-F275 HydrophobicContact CD1-CZ 3.96Å; L264-F275 HydrophobicContact CD1-CD1 3.58Å; L264-F275 HydrophobicContact CD1-CE1 3.76Å; G271-F275 VanDerWaalsContact O-CB 3.22Å; G271-F275 WeakPolarHBondContact O-CB 3.16Å; G271-F275 PolarHBondContact O-N 2.78Å; R273-F275 PolarHBondContact O-N 3.31Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 3.17Å; F275-N278 PolarHBondContact O-N 2.87Å; F275-I279 HydrophobicContact CD1-CD1 3.97Å; F275-I279 HydrophobicContact CE1-CD1 3.29Å; F275-I279 HydrophobicContact CE1-CG1 4.32Å; F275-I279 HydrophobicContact CE2-CD1 4.44Å; F275-I279 HydrophobicContact CZ-CD1 3.58Å; F275-I279 HydrophobicContact CZ-CG1 4.47Å; F275-I279 WeakPolarHBondContact O-CG1 3.3Å; F275-I279 PolarHBondContact O-N 3.29Å
276L83.4Confident73.8Confident6 Ų641 Ų413%0.03122%0.217CC..Hα-helixtrans-64.9-38.9174.9-70.4-169.6000112.4L264 K272 R273 N278 I279 A280 L343 L405 T407L264-L276 HydrophobicContact CD1-CD2 3.79Å; L264-L276 HydrophobicContact CD1-CG 4.17Å; K272-L276 PolarHBondContact O-N 2.92Å; R273-L276 PolarHBondContact O-N 3.31Å; R273-L276 VanDerWaalsContact O-N 3.14Å; L276-N278 VanDerWaalsContact C-N 3.33Å; L276-I279 PolarHBondContact O-N 3.39Å; L276-A280 PolarHBondContact O-N 2.88Å; L276-L343 HydrophobicContact CB-CD2 4.31Å; L276-L343 HydrophobicContact CD1-CD2 4.37Å; L276-L343 HydrophobicContact CD2-CD2 4.45Å; L276-L405 HydrophobicContact CD1-CB 4.27Å; L276-L405 HydrophobicContact CD2-CB 4.01Å; L276-L405 HydrophobicContact CD2-CD1 4.13Å; L276-T407 HydrophobicContact CD1-CG2 3.57Å; L276-T407 HydrophobicContact CG-CG2 4Å
277E81.3Confident72.2Confident66 Ų6643.8 Ų43.831%0.30823%0.233SC..Hα-helixtrans-64.8-36.6175.6-71.5171173.700111.5R273 F275 A280 N281R273-E277 HydrophobicContact CG-CG 4.49Å; R273-E277 IonicContact CZ-OE1 2.82Å; R273-E277 IonicContact NE-OE1 3.96Å; R273-E277 PolarHBondContact NE-OE1 3.11Å; R273-E277 IonicContact NH2-OE1 3.81Å; R273-E277 PolarHBondContact NH2-OE1 3.11Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 3.5Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 3.17Å; E277-A280 WeakPolarHBondContact O-CB 3.31Å; E277-A280 PolarHBondContact O-N 3.49Å; E277-N281 VanDerWaalsContact O-CG 3.22Å; E277-N281 PolarHBondContact O-N 3.44Å; E277-N281 VanDerWaalsContact O-N 3.1Å; E277-N281 PolarHBondContact O-ND2 2.92Å
278N79.8Confident70.8Confident10 Ų1046.8 Ų46.85%0.05326%0.256CS..Hα-helixtrans-63.6-47.6172.6-179.2-59.7000111.1I221 L225 T274 F275 L276 A280 N281 D282I221-N278 HydrophobicContact CG2-CB 4.39Å; I221-N278 WeakPolarHBondContact CG2-ND2 3.33Å; L225-N278 HydrophobicContact CD1-CB 3.78Å; L225-N278 VanDerWaalsContact CD1-CG 3.42Å; L225-N278 WeakPolarHBondContact CD1-ND2 3.23Å; T274-N278 WeakPolarHBondContact O-CB 3.38Å; T274-N278 PolarHBondContact O-N 2.82Å; F275-N278 PolarHBondContact O-N 2.87Å; L276-N278 VanDerWaalsContact C-N 3.33Å; N278-A280 PolarHBondContact O-N 3.07Å; N278-N281 CarbonylContact O-C 3.48Å; N278-N281 PolarHBondContact O-N 3.31Å; N278-D282 WeakPolarHBondContact O-CB 3.46Å; N278-D282 PolarHBondContact O-N 2.93Å
279I79.7Confident69.4Low6 Ų648.8 Ų48.83%0.03127%0.267CS..Hα-helixtrans-57.2-37.4177.4-68.3176.5000111.3I235 L239 F275 L276 N281 L286 F299I235-I279 HydrophobicContact CB-CD1 4.4Å; I235-I279 HydrophobicContact CG2-CD1 3.69Å; L239-I279 HydrophobicContact CD1-CG2 4Å; F275-I279 HydrophobicContact CD1-CD1 3.97Å; F275-I279 HydrophobicContact CE1-CD1 3.29Å; F275-I279 HydrophobicContact CE1-CG1 4.32Å; F275-I279 HydrophobicContact CE2-CD1 4.44Å; F275-I279 HydrophobicContact CZ-CD1 3.58Å; F275-I279 HydrophobicContact CZ-CG1 4.47Å; F275-I279 WeakPolarHBondContact O-CG1 3.3Å; F275-I279 PolarHBondContact O-N 3.29Å; L276-I279 PolarHBondContact O-N 3.39Å; I279-N281 VanDerWaalsContact C-N 3.33Å; I279-L286 HydrophobicContact CG2-CD1 4.38Å; I279-F299 HydrophobicContact CG2-CE1 4.09Å; I279-F299 HydrophobicContact CG2-CZ 4.23Å
280A77.7Confident68.1Low13 Ų1348.4 Ų48.411%0.10726%0.259CS..Hα-helixtrans-65.6-35.9176.400000113L276 E277 N278 Q283 F299 L343L276-A280 PolarHBondContact O-N 2.88Å; E277-A280 WeakPolarHBondContact O-CB 3.31Å; E277-A280 PolarHBondContact O-N 3.49Å; N278-A280 PolarHBondContact O-N 3.07Å; A280-Q283 WeakPolarHBondContact O-CG 3.25Å; A280-Q283 PolarHBondContact O-NE2 3Å; A280-Q283 VanDerWaalsContact O-NE2 3.15Å; A280-F299 HydrophobicContact CB-CB 4.19Å; A280-F299 HydrophobicContact CB-CD1 4.02Å; A280-F299 HydrophobicContact CB-CG 4.04Å; A280-L343 HydrophobicContact CB-CD1 3.72Å
281N72.4Confident66.6Low115 Ų11550.1 Ų50.162%0.61528%0.277SS*.Hα-helixtrans-82-37.2-179.2-69-23.2000112.5E277 N278 I279 Q283E277-N281 VanDerWaalsContact O-CG 3.22Å; E277-N281 PolarHBondContact O-N 3.44Å; E277-N281 VanDerWaalsContact O-N 3.1Å; E277-N281 PolarHBondContact O-ND2 2.92Å; N278-N281 CarbonylContact O-C 3.48Å; N278-N281 PolarHBondContact O-N 3.31Å; I279-N281 VanDerWaalsContact C-N 3.33Å; N281-Q283 PolarHBondContact O-N 3.2Å
282D64.7Low65.2Low47 Ų4755.7 Ų55.725%0.25131%0.314SS..  trans-82.347.1-175.6-1543.1000112R232 N278 I284 H285R232-D282 IonicContact CZ-OD2 3.87Å; R232-D282 IonicContact NH2-OD2 3.65Å; R232-D282 PolarHBondContact NH2-OD2 3.27Å; N278-D282 WeakPolarHBondContact O-CB 3.46Å; N278-D282 PolarHBondContact O-N 2.93Å; D282-I284 PolarHBondContact O-N 2.92Å; D282-H285 PolarHBondContact O-N 3.13Å
283Q55Low63.5Low51 Ų5162 Ų6224%0.23835%0.348CS..Hα-helixtrans-62.7-25.2-177-59.1-163-11.900112.7A280 N281 H285 V287 F299A280-Q283 WeakPolarHBondContact O-CG 3.25Å; A280-Q283 PolarHBondContact O-NE2 3Å; A280-Q283 VanDerWaalsContact O-NE2 3.15Å; N281-Q283 PolarHBondContact O-N 3.2Å; Q283-H285 VanDerWaalsContact C-N 3.34Å; Q283-H285 PolarHBondContact O-N 3.38Å; Q283-V287 PolarHBondContact O-N 3.1Å; Q283-F299 HydrophobicContact CG-CD2 4.49Å; Q283-F299 HydrophobicContact CG-CE2 4.21Å
284I47.9Very low62.1Low141 Ų14158.8 Ų58.872%0.72334%0.336SS*.Hα-helixtrans-64.1-41.4-178.5-57.9173.3000110D282 V287 S288D282-I284 PolarHBondContact O-N 2.92Å; I284-V287 PolarHBondContact O-N 3.08Å; I284-S288 WeakPolarHBondContact O-CB 3.47Å; I284-S288 PolarHBondContact O-N 3.35Å; I284-S288 PolarHBondContact O-OG 2.65Å
285H49.7Very low60.9Low96 Ų9658.9 Ų58.944%0.44433%0.333SS..Hα-helixtrans-72.2-33.7-177-116.6-60.3000113.3D282 Q283 V287 S288 T289D282-H285 PolarHBondContact O-N 3.13Å; Q283-H285 VanDerWaalsContact C-N 3.34Å; Q283-H285 PolarHBondContact O-N 3.38Å; H285-V287 VanDerWaalsContact C-N 3.3Å; H285-V287 PolarHBondContact O-N 2.92Å; H285-S288 WeakPolarHBondContact CA-OG 3.23Å; H285-S288 PolarHBondContact O-N 2.94Å; H285-S288 PolarHBondContact O-OG 3.36Å; H285-T289 WeakPolarHBondContact O-CB 3.26Å; H285-T289 PolarHBondContact O-N 2.66Å; H285-T289 VanDerWaalsContact O-N 3.08Å; H285-T289 PolarHBondContact O-OG1 3.16Å
286L48.2Very low60.1Low5 Ų564.3 Ų64.33%0.02636%0.356CS..Hα-helixtrans-62.2-39.3174.2-84.5157.1000111.3L236 L239 I279 I290 F299L236-L286 HydrophobicContact CD2-CD2 3.6Å; L236-L286 HydrophobicContact CD2-CG 3.87Å; L239-L286 HydrophobicContact CB-CD2 4.05Å; L239-L286 HydrophobicContact CD1-CD1 4.43Å; L239-L286 HydrophobicContact CD1-CD2 4.08Å; I279-L286 HydrophobicContact CG2-CD1 4.38Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 WeakPolarHBondContact O-CB 3.28Å; L286-I290 VanDerWaalsContact O-CD1 3.22Å; L286-I290 WeakPolarHBondContact O-CD1 3.39Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; L286-F299 HydrophobicContact CD1-CE2 4.3Å; L286-F299 HydrophobicContact CD1-CZ 3.76Å
287V48.1Very low59.7Low58 Ų5864.4 Ų64.435%0.35236%0.357SS..Hα-helixtrans-82.3-29.1179.7-178.30000112.4Q283 I284 H285 I290Q283-V287 PolarHBondContact O-N 3.1Å; I284-V287 PolarHBondContact O-N 3.08Å; H285-V287 VanDerWaalsContact C-N 3.3Å; H285-V287 PolarHBondContact O-N 2.92Å; V287-I290 CarbonylContact C-O 3.59Å; V287-I290 CarbonylContact O-C 3.57Å
288S48.1Very low59.5Low76 Ų7662.5 Ų62.553%0.53135%0.35SS..Hα-helixtrans-74.5-38.9178.267.80000112.5I284 H285 I290I284-S288 WeakPolarHBondContact O-CB 3.47Å; I284-S288 PolarHBondContact O-N 3.35Å; I284-S288 PolarHBondContact O-OG 2.65Å; H285-S288 WeakPolarHBondContact CA-OG 3.23Å; H285-S288 PolarHBondContact O-N 2.94Å; H285-S288 PolarHBondContact O-OG 3.36Å; S288-I290 VanDerWaalsContact C-N 3.28Å; S288-I290 PolarHBondContact O-N 2.9Å
289T48.2Very low59.5Low103 Ų10363.6 Ų63.663%0.63235%0.354SS*.Hα-helixtrans-72.8-27.7-177.4-43.20000111.6H285H285-T289 WeakPolarHBondContact O-CB 3.26Å; H285-T289 PolarHBondContact O-N 2.66Å; H285-T289 VanDerWaalsContact O-N 3.08Å; H285-T289 PolarHBondContact O-OG1 3.16Å
290I49.1Very low59.6Low15 Ų1564 Ų648%0.07736%0.356CS..SBendtrans-122.194.1-174.2-33.2167.2000103.5S240 L243 L286 V287 S288 Y294S240-I290 VanDerWaalsContact CB-CD1 3.44Å; L243-I290 HydrophobicContact CD1-CD1 3.72Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 WeakPolarHBondContact O-CB 3.28Å; L286-I290 VanDerWaalsContact O-CD1 3.22Å; L286-I290 WeakPolarHBondContact O-CD1 3.39Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; V287-I290 CarbonylContact C-O 3.59Å; V287-I290 CarbonylContact O-C 3.57Å; S288-I290 VanDerWaalsContact C-N 3.28Å; S288-I290 PolarHBondContact O-N 2.9Å; I290-Y294 HydrophobicContact CB-CD2 3.75Å; I290-Y294 HydrophobicContact CB-CE2 3.98Å; I290-Y294 HydrophobicContact CB-CG 4.1Å; I290-Y294 HydrophobicContact CG2-CD1 3.65Å; I290-Y294 HydrophobicContact CG2-CD2 3.28Å; I290-Y294 HydrophobicContact CG2-CE1 3.46Å; I290-Y294 VanDerWaalsContact CG2-CE1 3.46Å; I290-Y294 HydrophobicContact CG2-CE2 3.15Å; I290-Y294 HydrophobicContact CG2-CG 3.54Å; I290-Y294 WeakPolarHBondContact O-CD2 3.31Å
291G49.1Very low59.8Low40 Ų4066 Ų6641%0.41237%0.367SS..  trans-48.1-167.4-157.600000119.8L293 Y294G291-L293 PolarHBondContact O-N 2.95Å; G291-Y294 VanDerWaalsContact O-CD2 3.29Å; G291-Y294 WeakPolarHBondContact O-CD2 3.39Å; G291-Y294 PolarHBondContact O-N 3.36Å
292S52.3Low60.1Low129 Ų12960.9 Ų60.990%0.90234%0.339SS*.THydrogen-bonded Turntrans-61.4-2-173.9600000116.4
293L48.7Very low60.5Low144 Ų14461.4 Ų61.475%0.75435%0.345SS*.THydrogen-bonded Turntrans-80.9-10.4179-72.8162.7000114.3G291G291-L293 PolarHBondContact O-N 2.95Å
294Y53.7Low61.2Low57 Ų5763.2 Ų63.222%0.22436%0.363CS..SBendtrans-104.1132.8-170.6-59.7-90.5000113.1L243 L244 V247 I290 G291L243-Y294 HydrophobicContact CB-CD1 4.22Å; L244-Y294 HydrophobicContact CD2-CE1 3.59Å; L244-Y294 VanDerWaalsContact CD2-OH 3.29Å; L244-Y294 WeakPolarHBondContact CD2-OH 3.47Å; L244-Y294 HydrophobicContact CG-CE1 3.82Å; V247-Y294 HydrophobicContact CG2-CD1 4.08Å; V247-Y294 HydrophobicContact CG2-CE1 4.49Å; I290-Y294 HydrophobicContact CB-CD2 3.75Å; I290-Y294 HydrophobicContact CB-CE2 3.98Å; I290-Y294 HydrophobicContact CB-CG 4.1Å; I290-Y294 HydrophobicContact CG2-CD1 3.65Å; I290-Y294 HydrophobicContact CG2-CD2 3.28Å; I290-Y294 HydrophobicContact CG2-CE1 3.46Å; I290-Y294 VanDerWaalsContact CG2-CE1 3.46Å; I290-Y294 HydrophobicContact CG2-CE2 3.15Å; I290-Y294 HydrophobicContact CG2-CG 3.54Å; I290-Y294 WeakPolarHBondContact O-CD2 3.31Å; G291-Y294 VanDerWaalsContact O-CD2 3.29Å; G291-Y294 WeakPolarHBondContact O-CD2 3.39Å; G291-Y294 PolarHBondContact O-N 3.36Å
295E57.5Low62.1Low56 Ų5663.5 Ų63.526%0.26236%0.361SS..PPolyproline II helixtrans-70.6137.9177.3-64.5-169.2-173.600111.8P297 R335E295-P297 WeakPolarHBondContact O-CD 3.35Å; E295-R335 VanDerWaalsContact OE2-CD 3.29Å; E295-R335 WeakPolarHBondContact OE2-CD 3.21Å; E295-R335 WeakPolarHBondContact OE2-CG 3.32Å
296K67.5Low62.9Low117 Ų11759.5 Ų59.551%0.50934%0.343SS..PPolyproline II helixtrans-62.1119.5179.4-175.4179.9-180-179.10110.9R335K296-R335 PolarHBondContact O-NH1 3.43Å
297P74.9Confident63.7Low7 Ų760.4 Ų60.45%0.04535%0.349CS..PPolyproline II helixtrans-73.1150.7179.527.8-32.6000113.1L243 E295 F299 P339 I341L243-P297 HydrophobicContact CD2-CB 4.14Å; L243-P297 HydrophobicContact CD2-CG 4.36Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å; P297-F299 HydrophobicContact CG-CE2 4.04Å; P297-F299 HydrophobicContact CG-CZ 4.47Å; P297-P339 WeakPolarHBondContact CA-O 3.48Å; P297-P339 HydrophobicContact CB-CB 4.42Å; P297-P339 HydrophobicContact CB-CG 4.26Å; P297-I341 HydrophobicContact CB-CD1 3.75Å; P297-I341 HydrophobicContact CB-CG1 4.31Å; P297-I341 HydrophobicContact CG-CD1 4.18Å
298V76.7Confident64.6Low26 Ų2661.4 Ų61.416%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-97.7124.7176.8-177.70000108.9I300 L330 I338 P339 V340 I341V298-I300 HydrophobicContact CG1-CG1 4.19Å; V298-L330 HydrophobicContact CB-CD1 4.28Å; V298-L330 HydrophobicContact CG1-CD1 3.88Å; V298-L330 HydrophobicContact CG2-CD1 3.4Å; V298-L330 VanDerWaalsContact CG2-CD1 3.4Å; V298-I338 HydrophobicContact CG2-CG2 4.07Å; V298-P339 PolarHBondContact N-O 2.99Å; V298-V340 HydrophobicContact CB-CG2 4.48Å; V298-I341 PolarHBondContact O-N 3.43Å
299F81.2Confident65.5Low34 Ų3461.3 Ų61.315%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-99.4124.9175.4-70.3-89.8000110.8I279 A280 Q283 L286 P297 I341 L343I279-F299 HydrophobicContact CG2-CE1 4.09Å; I279-F299 HydrophobicContact CG2-CZ 4.23Å; A280-F299 HydrophobicContact CB-CB 4.19Å; A280-F299 HydrophobicContact CB-CD1 4.02Å; A280-F299 HydrophobicContact CB-CG 4.04Å; Q283-F299 HydrophobicContact CG-CD2 4.49Å; Q283-F299 HydrophobicContact CG-CE2 4.21Å; L286-F299 HydrophobicContact CD1-CE2 4.3Å; L286-F299 HydrophobicContact CD1-CZ 3.76Å; P297-F299 HydrophobicContact CG-CE2 4.04Å; P297-F299 HydrophobicContact CG-CZ 4.47Å; F299-I341 WeakPolarHBondContact CA-O 3.25Å; F299-I341 HydrophobicContact CD1-CB 3.87Å; F299-I341 HydrophobicContact CD1-CD1 4.34Å; F299-I341 HydrophobicContact CD1-CG2 3.86Å; F299-I341 HydrophobicContact CE1-CB 3.95Å; F299-I341 HydrophobicContact CE1-CD1 3.64Å; F299-I341 HydrophobicContact CE1-CG1 4.41Å; F299-I341 HydrophobicContact CE1-CG2 3.79Å; F299-I341 HydrophobicContact CE2-CD1 4.38Å; F299-I341 HydrophobicContact CZ-CD1 3.67Å; F299-L343 HydrophobicContact CD1-CD1 4.24Å; F299-L343 HydrophobicContact CD1-CD2 4.33Å; F299-L343 HydrophobicContact CD1-CG 4.38Å
300I80.3Confident66.2Low14 Ų1456.8 Ų56.87%0.07232%0.318CS..EExtended strand (participates in β ladder)trans-119.7125.1175.6-57178000108.2V298 W322 L326 V327 V340 I341 I342 L343V298-I300 HydrophobicContact CG1-CG1 4.19Å; I300-W322 HydrophobicContact CG2-CH2 3.95Å; I300-W322 HydrophobicContact CG2-CZ2 4.29Å; I300-L326 HydrophobicContact CD1-CD1 4.38Å; I300-L326 HydrophobicContact CG2-CD1 3.97Å; I300-V327 HydrophobicContact CD1-CG2 4.39Å; I300-V340 HydrophobicContact CD1-CG1 3.62Å; I300-V340 HydrophobicContact CG1-CG1 4.14Å; I300-I341 PolarHBondContact N-O 3.08Å; I300-I342 CarbonylContact O-C 3.55Å; I300-I342 WeakPolarHBondContact O-CA 3.47Å; I300-L343 PolarHBondContact O-N 3.37Å
301T82Confident67Low54 Ų5457.6 Ų57.633%0.33132%0.324SS..EExtended strand (participates in β ladder)trans-99.4128.7176.8-57.20000110.5T303 L343 P345T301-T303 PolarHBondContact O-N 2.9Å; T301-L343 HydrophobicContact CG2-CB 4.49Å; T301-P345 HydrophobicContact CG2-CG 4.26Å
302F78.3Confident67.6Low8 Ų860 Ų604%0.03533%0.327CS..  trans-69.5115.8173.1-95-72.6000111.7L306 L310 I342 L343 W344 P345 W350 F381F302-L306 HydrophobicContact CD1-CB 4.48Å; F302-L306 HydrophobicContact CD1-CD1 3.82Å; F302-L306 HydrophobicContact CE1-CD1 4.45Å; F302-L310 HydrophobicContact CE1-CD1 4.45Å; F302-I342 HydrophobicContact CD2-CG2 3.28Å; F302-I342 HydrophobicContact CE2-CG2 3.25Å; F302-I342 HydrophobicContact CG-CG2 4.48Å; F302-I342 HydrophobicContact CZ-CG2 4.42Å; F302-L343 PolarHBondContact N-O 3.4Å; F302-W344 HydrophobicContact CB-CG 4.29Å; F302-W344 HydrophobicContact CD2-CB 4.09Å; F302-W344 AromaticContact CD2-CD2 3.87Å; F302-W344 HydrophobicContact CD2-CD2 3.87Å; F302-W344 AromaticContact CD2-CE3 3.97Å; F302-W344 HydrophobicContact CD2-CE3 3.97Å; F302-W344 AromaticContact CD2-CG 3.95Å; F302-W344 HydrophobicContact CD2-CG 3.95Å; F302-W344 HydrophobicContact CE2-CD2 4Å; F302-W344 AromaticContact CE2-CE3 3.64Å; F302-W344 HydrophobicContact CE2-CE3 3.64Å; F302-W344 AromaticContact CE2-CZ3 4Å; F302-W344 HydrophobicContact CE2-CZ3 4Å; F302-W344 HydrophobicContact CG-CD2 4.37Å; F302-W344 HydrophobicContact CG-CG 4.36Å; F302-W344 HydrophobicContact CZ-CE3 4.26Å; F302-W344 HydrophobicContact CZ-CH2 4.49Å; F302-W344 HydrophobicContact CZ-CZ3 4.19Å; F302-P345 WeakPolarHBondContact O-CD 3.4Å; F302-W350 HydrophobicContact CB-CH2 4.32Å; F302-W350 HydrophobicContact CD1-CH2 4.33Å; F302-F381 HydrophobicContact CE1-CD2 4.09Å; F302-F381 AromaticContact CE1-CE2 3.98Å; F302-F381 HydrophobicContact CE1-CE2 3.98Å; F302-F381 HydrophobicContact CE1-CZ 4.33Å; F302-F381 HydrophobicContact CE2-CD1 4.43Å; F302-F381 HydrophobicContact CE2-CD2 4.47Å; F302-F381 AromaticContact CE2-CE1 3.7Å; F302-F381 HydrophobicContact CE2-CE1 3.7Å; F302-F381 AromaticContact CE2-CE2 3.78Å; F302-F381 HydrophobicContact CE2-CE2 3.78Å; F302-F381 AromaticContact CE2-CZ 3.31Å; F302-F381 HydrophobicContact CE2-CZ 3.31Å; F302-F381 AromaticContact CZ-CD1 3.87Å; F302-F381 HydrophobicContact CZ-CD1 3.87Å; F302-F381 AromaticContact CZ-CD2 3.46Å; F302-F381 HydrophobicContact CZ-CD2 3.46Å; F302-F381 VanDerWaalsContact CZ-CD2 3.46Å; F302-F381 AromaticContact CZ-CE1 3.53Å; F302-F381 HydrophobicContact CZ-CE1 3.53Å; F302-F381 AromaticContact CZ-CE2 3.11Å; F302-F381 HydrophobicContact CZ-CE2 3.11Å; F302-F381 AromaticContact CZ-CG 3.82Å; F302-F381 HydrophobicContact CZ-CG 3.82Å; F302-F381 AromaticContact CZ-CZ 3.12Å; F302-F381 HydrophobicContact CZ-CZ 3.12Å
303T73.7Confident67.7Low59 Ų5963.7 Ų63.736%0.36233%0.327SS..  trans-108.1164.4174.767.10000111.1T301 E305 L306T301-T303 PolarHBondContact O-N 2.9Å; T303-E305 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact O-N 3.33Å
304S69.3Low67.9Low89 Ų8961 Ų6162%0.62232%0.32SS*.Hα-helixtrans-64-26.1178.1-171.40000113L306 V307S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3Å; S304-V307 WeakPolarHBondContact O-CB 3.14Å; S304-V307 PolarHBondContact O-N 2.9Å
305E66.6Low67.7Low147 Ų14758.4 Ų58.469%0.68731%0.311SS*.Hα-helixtrans-62.3-38.2179.1-67.8167-17800110.7T303 V307 T308 E309T303-E305 PolarHBondContact O-N 3.49Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 3.06Å; E305-T308 WeakPolarHBondContact O-CB 3.39Å; E305-T308 PolarHBondContact O-N 3.38Å; E305-T308 VanDerWaalsContact O-N 3.09Å; E305-T308 PolarHBondContact O-OG1 3.4Å; E305-E309 PolarHBondContact O-N 2.59Å
306L66.9Low67.5Low11 Ų1160.7 Ų60.76%0.05832%0.321CS..Hα-helixtrans-65.3-31.3179-53.8-179.7000113.2F302 T303 S304 T308 E309 L310 W322F302-L306 HydrophobicContact CD1-CB 4.48Å; F302-L306 HydrophobicContact CD1-CD1 3.82Å; F302-L306 HydrophobicContact CE1-CD1 4.45Å; T303-L306 PolarHBondContact O-N 3.33Å; S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3Å; L306-T308 VanDerWaalsContact C-N 3.27Å; L306-T308 PolarHBondContact O-N 2.87Å; L306-E309 PolarHBondContact O-N 3.43Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 2.74Å; L306-W322 HydrophobicContact CD1-CH2 3.37Å; L306-W322 HydrophobicContact CD1-CZ2 3.24Å; L306-W322 HydrophobicContact CD1-CZ3 4.27Å; L306-W322 HydrophobicContact CD2-CD2 3.87Å; L306-W322 HydrophobicContact CD2-CE3 4.5Å; L306-W322 HydrophobicContact CD2-CG 4.38Å; L306-W322 HydrophobicContact CD2-CH2 3.97Å; L306-W322 HydrophobicContact CD2-CZ2 3.14Å; L306-W322 HydrophobicContact CG-CH2 4.21Å; L306-W322 HydrophobicContact CG-CZ2 3.76Å
307V65.8Low67.1Low25 Ų2561 Ų6115%0.15232%0.324CS..Hα-helixtrans-63.1-41.6175.7-167.60000110.1S304 E305 E309 L310 T311 W350 I377S304-V307 WeakPolarHBondContact O-CB 3.14Å; S304-V307 PolarHBondContact O-N 2.9Å; E305-V307 VanDerWaalsContact C-N 3.27Å; E305-V307 PolarHBondContact O-N 3.06Å; V307-E309 VanDerWaalsContact C-N 3.25Å; V307-E309 PolarHBondContact O-N 3.42Å; V307-L310 PolarHBondContact O-N 2.72Å; V307-T311 HydrophobicContact CG1-CG2 3.99Å; V307-T311 WeakPolarHBondContact O-CB 3.37Å; V307-T311 WeakPolarHBondContact O-CG2 3.38Å; V307-T311 PolarHBondContact O-N 3.35Å; V307-T311 PolarHBondContact O-OG1 3.26Å; V307-W350 HydrophobicContact CB-CZ3 4.3Å; V307-W350 HydrophobicContact CG2-CE3 3.66Å; V307-W350 HydrophobicContact CG2-CH2 3.17Å; V307-W350 HydrophobicContact CG2-CZ2 4.12Å; V307-W350 HydrophobicContact CG2-CZ3 2.95Å; V307-I377 HydrophobicContact CG1-CD1 3.97Å
308T66.8Low66.5Low78 Ų7863.3 Ų63.348%0.47934%0.336SS..Hα-helixtrans-64.2-35.3178.5700000111.1E305 L306 T311 N312E305-T308 WeakPolarHBondContact O-CB 3.39Å; E305-T308 PolarHBondContact O-N 3.38Å; E305-T308 VanDerWaalsContact O-N 3.09Å; E305-T308 PolarHBondContact O-OG1 3.4Å; L306-T308 VanDerWaalsContact C-N 3.27Å; L306-T308 PolarHBondContact O-N 2.87Å; T308-T311 WeakPolarHBondContact CA-OG1 3.45Å; T308-T311 PolarHBondContact O-OG1 3.48Å; T308-N312 VanDerWaalsContact O-CG 3.23Å; T308-N312 PolarHBondContact O-N 3.35Å; T308-N312 PolarHBondContact O-ND2 3.19Å; T308-N312 VanDerWaalsContact O-ND2 3.12Å
309E66.8Low65.8Low74 Ų7462.2 Ų62.235%0.34633%0.33SS..Hα-helixtrans-69.7-40.4173.7-67.5-172.616000113.2E305 L306 V307 S315 W322E305-E309 PolarHBondContact O-N 2.59Å; L306-E309 PolarHBondContact O-N 3.43Å; V307-E309 VanDerWaalsContact C-N 3.25Å; V307-E309 PolarHBondContact O-N 3.42Å; E309-S315 VanDerWaalsContact O-CB 3.26Å; E309-S315 WeakPolarHBondContact O-CB 3.32Å; E309-W322 WeakPolarHBondContact OE2-CB 3.25Å; E309-W322 VanDerWaalsContact OE2-CD1 3.24Å; E309-W322 VanDerWaalsContact OE2-CG 3.31Å
310L63.6Low65Low9 Ų963.1 Ų63.15%0.04733%0.333CS..Hα-helixtrans-70-35.6178.8-78.3163.1000113F302 L306 V307 S315 A319 I377 R380 F381F302-L310 HydrophobicContact CE1-CD1 4.45Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 2.74Å; V307-L310 PolarHBondContact O-N 2.72Å; L310-S315 PolarHBondContact O-OG 2.7Å; L310-A319 HydrophobicContact CD2-CB 3.41Å; L310-A319 VanDerWaalsContact CD2-CB 3.41Å; L310-A319 HydrophobicContact CG-CB 4.25Å; L310-I377 HydrophobicContact CB-CG2 4.29Å; L310-I377 HydrophobicContact CD1-CG2 4.09Å; L310-R380 HydrophobicContact CD2-CB 4.44Å; L310-R380 PolarHBondContact O-NH1 2.94Å; L310-F381 HydrophobicContact CD1-CB 4.46Å; L310-F381 HydrophobicContact CD2-CB 4.42Å
311T64.5Low64.4Low31 Ų3168.9 Ų68.919%0.1935%0.354CS..Hα-helixtrans-77.5-34.1-176.249.40000113.2V307 T308 K313 M373 I377 R380V307-T311 HydrophobicContact CG1-CG2 3.99Å; V307-T311 WeakPolarHBondContact O-CB 3.37Å; V307-T311 WeakPolarHBondContact O-CG2 3.38Å; V307-T311 PolarHBondContact O-N 3.35Å; V307-T311 PolarHBondContact O-OG1 3.26Å; T308-T311 WeakPolarHBondContact CA-OG1 3.45Å; T308-T311 PolarHBondContact O-OG1 3.48Å; T311-K313 PolarHBondContact O-N 2.82Å; T311-M373 HydrophobicContact CG2-CE 3.36Å; T311-M373 HydrophobicContact CG2-SD 3.94Å; T311-I377 HydrophobicContact CG2-CD1 3.53Å; T311-I377 HydrophobicContact CG2-CG1 3.68Å; T311-R380 PolarHBondContact O-NH1 3.15Å
312N63.5Low63.8Low92 Ų9268.4 Ų68.449%0.49235%0.346SS..SBendtrans-54.6132.6179.2-81.3-26.6000111.9T308 S314 S315T308-N312 VanDerWaalsContact O-CG 3.23Å; T308-N312 PolarHBondContact O-N 3.35Å; T308-N312 PolarHBondContact O-ND2 3.19Å; T308-N312 VanDerWaalsContact O-ND2 3.12Å; N312-S314 PolarHBondContact O-N 3.41Å; N312-S315 WeakPolarHBondContact O-CB 3.3Å; N312-S315 PolarHBondContact O-N 3.17Å; N312-S315 VanDerWaalsContact O-N 3.17Å; N312-S315 PolarHBondContact O-OG 2.93Å
313K52.7Low63.2Low205 Ų20568.1 Ų68.189%0.89135%0.345SS*.THydrogen-bonded Turntrans-62.6-17.4-169.6-72.3-175.9178179.70115.1T311 S315T311-K313 PolarHBondContact O-N 2.82Å; K313-S315 VanDerWaalsContact C-N 3.26Å; K313-S315 PolarHBondContact O-N 2.85Å
314S52.8Low63Low88 Ų8867.1 Ų67.162%0.61534%0.338SS*.THydrogen-bonded Turntrans-84.912.8178.150.40000114N312N312-S314 PolarHBondContact O-N 3.41Å
315S51.2Low63Low3 Ų367.4 Ų67.42%0.02133%0.333CS..THydrogen-bonded Turntrans-85.7-13.7-151.1610000119.5E309 L310 N312 K313 H317 N318 A319 R380E309-S315 VanDerWaalsContact O-CB 3.26Å; E309-S315 WeakPolarHBondContact O-CB 3.32Å; L310-S315 PolarHBondContact O-OG 2.7Å; N312-S315 WeakPolarHBondContact O-CB 3.3Å; N312-S315 PolarHBondContact O-N 3.17Å; N312-S315 VanDerWaalsContact O-N 3.17Å; N312-S315 PolarHBondContact O-OG 2.93Å; K313-S315 VanDerWaalsContact C-N 3.26Å; K313-S315 PolarHBondContact O-N 2.85Å; S315-H317 CarbonylContact O-C 3.57Å; S315-H317 PolarHBondContact O-N 3.44Å; S315-H317 VanDerWaalsContact O-N 3.08Å; S315-N318 PolarHBondContact O-N 2.66Å; S315-A319 PolarHBondContact O-N 3Å; S315-R380 PolarHBondContact OG-NH1 3.26Å
316H52.6Low63Low104 Ų10463.4 Ų63.448%0.48132%0.316SS..Hα-helixtrans-53.8-38.5179.7-71.9-66.4000110.8Y320 E383H316-Y320 WeakPolarHBondContact O-CB 3.35Å; H316-E383 IonicContact CE1-OE2 3.19Å; H316-E383 IonicContact ND1-OE2 3.63Å
317H58.7Low62.9Low122 Ų12262.9 Ų62.957%0.56531%0.313SS*.Hα-helixtrans-79.5-29.2172.5-76.2-52.7000114.5S315 R321S315-H317 CarbonylContact O-C 3.57Å; S315-H317 PolarHBondContact O-N 3.44Å; S315-H317 VanDerWaalsContact O-N 3.08Å; H317-R321 WeakPolarHBondContact O-CA 3.3Å; H317-R321 WeakPolarHBondContact O-CB 3.24Å; H317-R321 WeakPolarHBondContact O-CD 3.37Å; H317-R321 WeakPolarHBondContact O-CG 3.37Å; H317-R321 PolarHBondContact O-N 3Å
318N63.5Low62.6Low56 Ų5664.2 Ų64.230%0.29933%0.332SS..Hα-helixtrans-75.5-46.4-177.5-67.7-16.2000112.4S315 R321 W322S315-N318 PolarHBondContact O-N 2.66Å; N318-R321 PolarHBondContact O-N 3.17Å; N318-W322 VanDerWaalsContact O-CB 3.25Å; N318-W322 WeakPolarHBondContact O-CB 3.32Å; N318-W322 PolarHBondContact O-N 2.82Å
319A60.2Low62Low4 Ų468 Ų683%0.03334%0.344CS..Hα-helixtrans-66.5-43.6179.100000111.4L310 S315 W322 L323L310-A319 HydrophobicContact CD2-CB 3.41Å; L310-A319 VanDerWaalsContact CD2-CB 3.41Å; L310-A319 HydrophobicContact CG-CB 4.25Å; S315-A319 PolarHBondContact O-N 3Å; A319-W322 PolarHBondContact O-N 3.11Å; A319-L323 PolarHBondContact O-N 2.7Å
320Y65.6Low61.4Low52 Ų5267.6 Ų67.620%0.20434%0.344CS..Hα-helixtrans-58.7-51170174.7-94.4000111H316 W322 L323 T324 L387 V388 S391H316-Y320 WeakPolarHBondContact O-CB 3.35Å; Y320-W322 VanDerWaalsContact C-N 3.29Å; Y320-W322 PolarHBondContact O-N 3.28Å; Y320-L323 PolarHBondContact O-N 3.48Å; Y320-T324 HydrophobicContact CD1-CG2 4.14Å; Y320-T324 HydrophobicContact CD2-CG2 4.25Å; Y320-T324 HydrophobicContact CE1-CG2 3.69Å; Y320-T324 HydrophobicContact CE2-CG2 3.83Å; Y320-T324 HydrophobicContact CG-CG2 4.39Å; Y320-T324 WeakPolarHBondContact O-CG2 3.33Å; Y320-T324 PolarHBondContact O-N 2.92Å; Y320-T324 PolarHBondContact O-OG1 3.46Å; Y320-T324 VanDerWaalsContact O-OG1 3.09Å; Y320-L387 HydrophobicContact CD2-CB 3.84Å; Y320-L387 HydrophobicContact CE2-CB 4.14Å; Y320-V388 HydrophobicContact CD2-CG2 3.6Å; Y320-V388 HydrophobicContact CE2-CB 4.44Å; Y320-V388 HydrophobicContact CE2-CG2 3.72Å; Y320-S391 WeakPolarHBondContact OH-CB 3.25Å; Y320-S391 PolarHBondContact OH-OG 3.14Å
321R67.4Low60.7Low136 Ų13674.5 Ų74.551%0.51338%0.381SS..Hα-helixtrans-59-41.1178.2-84.1174.2-175.7146.91.2112.1H317 N318 T324 N325H317-R321 WeakPolarHBondContact O-CA 3.3Å; H317-R321 WeakPolarHBondContact O-CB 3.24Å; H317-R321 WeakPolarHBondContact O-CD 3.37Å; H317-R321 WeakPolarHBondContact O-CG 3.37Å; H317-R321 PolarHBondContact O-N 3Å; N318-R321 PolarHBondContact O-N 3.17Å; R321-T324 VanDerWaalsContact CA-OG1 3.24Å; R321-T324 WeakPolarHBondContact CA-OG1 3.32Å; R321-T324 CarbonylContact O-C 3.47Å; R321-T324 PolarHBondContact O-N 3.46Å; R321-T324 PolarHBondContact O-OG1 3.46Å; R321-N325 WeakPolarHBondContact O-CA 3.3Å; R321-N325 WeakPolarHBondContact O-CB 3.4Å; R321-N325 PolarHBondContact O-N 3.43Å; R321-N325 PolarHBondContact O-ND2 2.98Å; R321-N325 PolarHBondContact O-OD1 2.79Å
322W69.1Low60.1Low44 Ų4475.9 Ų75.917%0.16739%0.389CS..Hα-helixtrans-63-50.1178.2169.284.6000110.9I300 L306 E309 N318 A319 Y320 T324 N325 L326I300-W322 HydrophobicContact CG2-CH2 3.95Å; I300-W322 HydrophobicContact CG2-CZ2 4.29Å; L306-W322 HydrophobicContact CD1-CH2 3.37Å; L306-W322 HydrophobicContact CD1-CZ2 3.24Å; L306-W322 HydrophobicContact CD1-CZ3 4.27Å; L306-W322 HydrophobicContact CD2-CD2 3.87Å; L306-W322 HydrophobicContact CD2-CE3 4.5Å; L306-W322 HydrophobicContact CD2-CG 4.38Å; L306-W322 HydrophobicContact CD2-CH2 3.97Å; L306-W322 HydrophobicContact CD2-CZ2 3.14Å; L306-W322 HydrophobicContact CG-CH2 4.21Å; L306-W322 HydrophobicContact CG-CZ2 3.76Å; E309-W322 WeakPolarHBondContact OE2-CB 3.25Å; E309-W322 VanDerWaalsContact OE2-CD1 3.24Å; E309-W322 VanDerWaalsContact OE2-CG 3.31Å; N318-W322 VanDerWaalsContact O-CB 3.25Å; N318-W322 WeakPolarHBondContact O-CB 3.32Å; N318-W322 PolarHBondContact O-N 2.82Å; A319-W322 PolarHBondContact O-N 3.11Å; Y320-W322 VanDerWaalsContact C-N 3.29Å; Y320-W322 PolarHBondContact O-N 3.28Å; W322-T324 VanDerWaalsContact C-N 3.35Å; W322-T324 PolarHBondContact O-N 3.3Å; W322-N325 PolarHBondContact O-N 2.75Å; W322-N325 VanDerWaalsContact O-N 3.17Å; W322-L326 HydrophobicContact CD2-CD1 4.15Å; W322-L326 HydrophobicContact CH2-CD1 3.69Å; W322-L326 HydrophobicContact CZ2-CD1 3.02Å; W322-L326 HydrophobicContact CZ2-CG 4.11Å; W322-L326 HydrophobicContact CZ3-CD1 4.49Å; W322-L326 PolarHBondContact O-N 3.46Å
323L66.7Low59.4Low2 Ų275.7 Ų75.71%0.0140%0.395CS..Hα-helixtrans-58.1-48.2174.7-82.3171.3000110.5A319 Y320 N325 L326 V327 I385 V388A319-L323 PolarHBondContact O-N 2.7Å; Y320-L323 PolarHBondContact O-N 3.48Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.26Å; L323-L326 PolarHBondContact O-N 3.2Å; L323-V327 WeakPolarHBondContact O-CB 3.38Å; L323-V327 WeakPolarHBondContact O-CG2 3.21Å; L323-V327 PolarHBondContact O-N 3.32Å; L323-I385 HydrophobicContact CD1-CG1 4.33Å; L323-V388 HydrophobicContact CB-CG2 3.92Å; L323-V388 HydrophobicContact CD1-CG2 4.24Å
324T67.9Low59.4Low37 Ų3773.9 Ų73.923%0.22740%0.395CS..Hα-helixtrans-66.5-29178.2580000113.2Y320 R321 W322 G328 V388Y320-T324 HydrophobicContact CD1-CG2 4.14Å; Y320-T324 HydrophobicContact CD2-CG2 4.25Å; Y320-T324 HydrophobicContact CE1-CG2 3.69Å; Y320-T324 HydrophobicContact CE2-CG2 3.83Å; Y320-T324 HydrophobicContact CG-CG2 4.39Å; Y320-T324 WeakPolarHBondContact O-CG2 3.33Å; Y320-T324 PolarHBondContact O-N 2.92Å; Y320-T324 PolarHBondContact O-OG1 3.46Å; Y320-T324 VanDerWaalsContact O-OG1 3.09Å; R321-T324 VanDerWaalsContact CA-OG1 3.24Å; R321-T324 WeakPolarHBondContact CA-OG1 3.32Å; R321-T324 CarbonylContact O-C 3.47Å; R321-T324 PolarHBondContact O-N 3.46Å; R321-T324 PolarHBondContact O-OG1 3.46Å; W322-T324 VanDerWaalsContact C-N 3.35Å; W322-T324 PolarHBondContact O-N 3.3Å; T324-G328 VanDerWaalsContact O-CA 3.24Å; T324-G328 WeakPolarHBondContact O-CA 3.46Å; T324-G328 PolarHBondContact O-N 2.83Å; T324-V388 HydrophobicContact CG2-CG2 3.99Å
325N70.7Confident59.5Low96 Ų9673.3 Ų73.351%0.51338%0.379SS..Hα-helixtrans-74.8-45.2177.4-76.6-13.1000110.5R321 W322 L323 V327 Q329R321-N325 WeakPolarHBondContact O-CA 3.3Å; R321-N325 WeakPolarHBondContact O-CB 3.4Å; R321-N325 PolarHBondContact O-N 3.43Å; R321-N325 PolarHBondContact O-ND2 2.98Å; R321-N325 PolarHBondContact O-OD1 2.79Å; W322-N325 PolarHBondContact O-N 2.75Å; W322-N325 VanDerWaalsContact O-N 3.17Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.26Å; N325-V327 VanDerWaalsContact C-N 3.25Å; N325-V327 PolarHBondContact O-N 2.81Å; N325-Q329 WeakPolarHBondContact O-CB 3.25Å; N325-Q329 WeakPolarHBondContact O-CG 3.36Å; N325-Q329 PolarHBondContact O-N 3.28Å; N325-Q329 VanDerWaalsContact O-N 3.11Å
326L66.9Low60Low62 Ų6279.9 Ų79.933%0.32542%0.415SS..Hα-helixtrans-61.4-39.5175-80.4-169.5000112I300 W322 L323I300-L326 HydrophobicContact CD1-CD1 4.38Å; I300-L326 HydrophobicContact CG2-CD1 3.97Å; W322-L326 HydrophobicContact CD2-CD1 4.15Å; W322-L326 HydrophobicContact CH2-CD1 3.69Å; W322-L326 HydrophobicContact CZ2-CD1 3.02Å; W322-L326 HydrophobicContact CZ2-CG 4.11Å; W322-L326 HydrophobicContact CZ3-CD1 4.49Å; W322-L326 PolarHBondContact O-N 3.46Å; L323-L326 PolarHBondContact O-N 3.2Å
327V63.4Low60.8Low1 Ų175.5 Ų75.51%0.00640%0.395CS..Hα-helixtrans-81.6-37.1-177.4174.30000111.3I300 L323 N325 Q329 L330 Y400I300-V327 HydrophobicContact CD1-CG2 4.39Å; L323-V327 WeakPolarHBondContact O-CB 3.38Å; L323-V327 WeakPolarHBondContact O-CG2 3.21Å; L323-V327 PolarHBondContact O-N 3.32Å; N325-V327 VanDerWaalsContact C-N 3.25Å; N325-V327 PolarHBondContact O-N 2.81Å; V327-Q329 VanDerWaalsContact C-N 3.32Å; V327-Q329 PolarHBondContact O-N 2.82Å; V327-L330 WeakPolarHBondContact O-CB 3.47Å; V327-L330 WeakPolarHBondContact O-CD1 3.29Å; V327-L330 WeakPolarHBondContact O-CG 3.32Å; V327-L330 PolarHBondContact O-N 3.07Å; V327-Y400 HydrophobicContact CB-CE1 4.46Å; V327-Y400 HydrophobicContact CG1-CD1 3.57Å; V327-Y400 HydrophobicContact CG1-CD2 4.07Å; V327-Y400 HydrophobicContact CG1-CE1 2.98Å; V327-Y400 HydrophobicContact CG1-CE2 3.53Å; V327-Y400 HydrophobicContact CG1-CG 4.12Å; V327-Y400 VanDerWaalsContact CG1-OH 3.28Å; V327-Y400 WeakPolarHBondContact CG1-OH 3.42Å
328G60.8Low61.5Low53 Ų5369.9 Ų69.955%0.54637%0.37SS..Hα-helixtrans-75.1-16.7-179.600000114.4T324 L330T324-G328 VanDerWaalsContact O-CA 3.24Å; T324-G328 WeakPolarHBondContact O-CA 3.46Å; T324-G328 PolarHBondContact O-N 2.83Å; G328-L330 PolarHBondContact O-N 2.72Å
329Q53.4Low62.2Low157 Ų15767.3 Ų67.373%0.73436%0.356SS*.THydrogen-bonded Turntrans-70.5-5.7170-80.4174.814.900113.7N325 V327N325-Q329 WeakPolarHBondContact O-CB 3.25Å; N325-Q329 WeakPolarHBondContact O-CG 3.36Å; N325-Q329 PolarHBondContact O-N 3.28Å; N325-Q329 VanDerWaalsContact O-N 3.11Å; V327-Q329 VanDerWaalsContact C-N 3.32Å; V327-Q329 PolarHBondContact O-N 2.82Å
330L54.5Low63.1Low65 Ų6567.1 Ų67.134%0.3435%0.354SS..SBendtrans-89.2132.4-179.9-61.9165.3000109.9V298 V327 G328 V332V298-L330 HydrophobicContact CB-CD1 4.28Å; V298-L330 HydrophobicContact CG1-CD1 3.88Å; V298-L330 HydrophobicContact CG2-CD1 3.4Å; V298-L330 VanDerWaalsContact CG2-CD1 3.4Å; V327-L330 WeakPolarHBondContact O-CB 3.47Å; V327-L330 WeakPolarHBondContact O-CD1 3.29Å; V327-L330 WeakPolarHBondContact O-CG 3.32Å; V327-L330 PolarHBondContact O-N 3.07Å; G328-L330 PolarHBondContact O-N 2.72Å; L330-V332 WeakPolarHBondContact O-CG2 3.22Å; L330-V332 PolarHBondContact O-N 3.47Å
331D49.5Very low64Low155 Ų15564.7 Ų64.783%0.82935%0.345SS*.  trans-61.796.4172.9-92-27.7000110.3S333D331-S333 VanDerWaalsContact C-N 3.32Å; D331-S333 PolarHBondContact O-N 3.31Å; D331-S333 VanDerWaalsContact O-N 3.1Å
332V51Low64.9Low59 Ų5958.3 Ų58.336%0.35832%0.321SS..  trans-83.476.7176.5-175.20000108.9L330 I338 P398L330-V332 WeakPolarHBondContact O-CG2 3.22Å; L330-V332 PolarHBondContact O-N 3.47Å; V332-I338 HydrophobicContact CG1-CD1 4.2Å; V332-I338 HydrophobicContact CG2-CD1 3.96Å; V332-P398 HydrophobicContact CB-CG 4.5Å; V332-P398 HydrophobicContact CG1-CB 4.11Å; V332-P398 HydrophobicContact CG1-CG 3.47Å; V332-P398 VanDerWaalsContact CG1-CG 3.47Å; V332-P398 HydrophobicContact CG2-CG 4.23Å
333S49.3Very low65.8Low88 Ų8856.4 Ų56.462%0.61531%0.314SS*.SBendtrans-93.8112.316742.70000109.3D331 R335D331-S333 VanDerWaalsContact C-N 3.32Å; D331-S333 PolarHBondContact O-N 3.31Å; D331-S333 VanDerWaalsContact O-N 3.1Å; S333-R335 PolarHBondContact O-N 3.04Å
334N51.5Low66.8Low167 Ų16756.4 Ų56.489%0.89331%0.314SS*.SBendtrans61.430.1166.8-68.2-9.1000118.9
335R54.7Low67.6Low76 Ų7655.5 Ų55.529%0.28731%0.309SS..  trans-100.2129.5-179.9-62.6-179.1-175.5-153.99.1111.7E295 K296 S333 I338 P398E295-R335 VanDerWaalsContact OE2-CD 3.29Å; E295-R335 WeakPolarHBondContact OE2-CD 3.21Å; E295-R335 WeakPolarHBondContact OE2-CG 3.32Å; K296-R335 PolarHBondContact O-NH1 3.43Å; S333-R335 PolarHBondContact O-N 3.04Å; R335-I338 HydrophobicContact CB-CD1 4.43Å; R335-I338 HydrophobicContact CB-CG1 3.97Å; R335-P398 WeakPolarHBondContact O-CB 3.36Å
336N61.9Low68.2Low142 Ų14252.6 Ų52.676%0.75929%0.293SS*.SBendtrans-79.9-39.2174.4-78.7-4.3000111.3T399N336-T399 PolarHBondContact O-N 3.3Å; N336-T399 PolarHBondContact O-OG1 3.23Å; N336-T399 VanDerWaalsContact O-OG1 3.06Å
337C69.8Low69Low12 Ų1249.6 Ų49.68%0.08128%0.277CS..EExtended strand (participates in β ladder)trans-142.2117.7-178.3-178.50000112.5C246 P339 T399C246-C337 HydrophobicContact CB-CB 4.4Å; C246-C337 WeakPolarHBondContact O-CB 3.38Å; C337-P339 WeakPolarHBondContact O-CD 3.31Å; C337-T399 CarbonylContact C-O 3.46Å; C337-T399 WeakPolarHBondContact CA-O 3.44Å; C337-T399 WeakPolarHBondContact CB-OG1 3.38Å
338I73.7Confident69.8Low4 Ų449.9 Ų49.92%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-95.1118.5-178.2-64.5169.9000110.5V298 V332 R335 V340 P398 T399 Y400 R401V298-I338 HydrophobicContact CG2-CG2 4.07Å; V332-I338 HydrophobicContact CG1-CD1 4.2Å; V332-I338 HydrophobicContact CG2-CD1 3.96Å; R335-I338 HydrophobicContact CB-CD1 4.43Å; R335-I338 HydrophobicContact CB-CG1 3.97Å; I338-V340 HydrophobicContact CG2-CG2 4.37Å; I338-P398 HydrophobicContact CD1-CB 3.67Å; I338-P398 HydrophobicContact CD1-CG 3.69Å; I338-P398 HydrophobicContact CG1-CB 3.96Å; I338-T399 PolarHBondContact N-O 2.95Å; I338-Y400 HydrophobicContact CB-CD1 3.64Å; I338-Y400 HydrophobicContact CB-CE1 3.62Å; I338-Y400 HydrophobicContact CD1-CD1 4.4Å; I338-Y400 HydrophobicContact CD1-CE1 3.5Å; I338-Y400 HydrophobicContact CG1-CE1 4.08Å; I338-Y400 HydrophobicContact CG2-CD1 3.95Å; I338-Y400 HydrophobicContact CG2-CE1 3.87Å; I338-R401 PolarHBondContact O-N 3.27Å
339P78.2Confident70.5Confident2 Ų252.9 Ų52.91%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-77.5122.7175.624.7-25.9000111.9F242 L243 P297 V298 C337F242-P339 HydrophobicContact CD1-CB 4.5Å; F242-P339 HydrophobicContact CE1-CB 3.71Å; F242-P339 HydrophobicContact CZ-CB 4.33Å; L243-P339 HydrophobicContact CD2-CB 3.69Å; L243-P339 HydrophobicContact CD2-CG 3.54Å; P297-P339 WeakPolarHBondContact CA-O 3.48Å; P297-P339 HydrophobicContact CB-CB 4.42Å; P297-P339 HydrophobicContact CB-CG 4.26Å; V298-P339 PolarHBondContact N-O 2.99Å; C337-P339 WeakPolarHBondContact O-CD 3.31Å
340V79.9Confident71.4Confident0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3120.8177.1-175.60000110.1V298 I300 I338 I342 Y400 R401 F402 C403V298-V340 HydrophobicContact CB-CG2 4.48Å; I300-V340 HydrophobicContact CD1-CG1 3.62Å; I300-V340 HydrophobicContact CG1-CG1 4.14Å; I338-V340 HydrophobicContact CG2-CG2 4.37Å; V340-I342 HydrophobicContact CG1-CG1 4.22Å; V340-Y400 HydrophobicContact CG2-CD1 4.13Å; V340-R401 PolarHBondContact N-O 3.35Å; V340-F402 HydrophobicContact CB-CD1 3.72Å; V340-F402 HydrophobicContact CB-CE1 3.86Å; V340-F402 HydrophobicContact CG1-CD1 3.81Å; V340-F402 HydrophobicContact CG1-CE1 3.81Å; V340-F402 HydrophobicContact CG2-CD1 4.45Å; V340-F402 HydrophobicContact CG2-CE1 4.16Å; V340-F402 WeakPolarHBondContact O-CA 3.2Å; V340-C403 PolarHBondContact O-N 3.43Å
341I84.8Confident72.1Confident0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-105.7119.6177.9-58169000108.8L239 F242 P297 V298 F299 I300 L343 C403 L405L239-I341 HydrophobicContact CD1-CD1 4.27Å; L239-I341 HydrophobicContact CD2-CD1 3.67Å; L239-I341 HydrophobicContact CD2-CG1 4.18Å; L239-I341 HydrophobicContact CD2-CG2 4.5Å; F242-I341 HydrophobicContact CE1-CG1 4.31Å; P297-I341 HydrophobicContact CB-CD1 3.75Å; P297-I341 HydrophobicContact CB-CG1 4.31Å; P297-I341 HydrophobicContact CG-CD1 4.18Å; V298-I341 PolarHBondContact O-N 3.43Å; F299-I341 WeakPolarHBondContact CA-O 3.25Å; F299-I341 HydrophobicContact CD1-CB 3.87Å; F299-I341 HydrophobicContact CD1-CD1 4.34Å; F299-I341 HydrophobicContact CD1-CG2 3.86Å; F299-I341 HydrophobicContact CE1-CB 3.95Å; F299-I341 HydrophobicContact CE1-CD1 3.64Å; F299-I341 HydrophobicContact CE1-CG1 4.41Å; F299-I341 HydrophobicContact CE1-CG2 3.79Å; F299-I341 HydrophobicContact CE2-CD1 4.38Å; F299-I341 HydrophobicContact CZ-CD1 3.67Å; I300-I341 PolarHBondContact N-O 3.08Å; I341-L343 HydrophobicContact CG2-CD2 4.14Å; I341-C403 CarbonylContact C-O 3.57Å; I341-C403 WeakPolarHBondContact CA-O 3.35Å; I341-L405 HydrophobicContact CG2-CD1 4.02Å; I341-L405 HydrophobicContact CG2-CG 4.31Å
342I85.7Confident72.8Confident3 Ų339 Ų392%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-103.2118.8-177.7-61.6-175.3000109.4I300 F302 V340 F381 I385 F402 C403 I404 L405I300-I342 CarbonylContact O-C 3.55Å; I300-I342 WeakPolarHBondContact O-CA 3.47Å; F302-I342 HydrophobicContact CD2-CG2 3.28Å; F302-I342 HydrophobicContact CE2-CG2 3.25Å; F302-I342 HydrophobicContact CG-CG2 4.48Å; F302-I342 HydrophobicContact CZ-CG2 4.42Å; V340-I342 HydrophobicContact CG1-CG1 4.22Å; I342-F381 HydrophobicContact CD1-CE2 4.26Å; I342-F381 HydrophobicContact CD1-CZ 3.68Å; I342-F381 HydrophobicContact CG2-CZ 4.37Å; I342-I385 HydrophobicContact CD1-CD1 4.22Å; I342-F402 HydrophobicContact CD1-CD1 3.75Å; I342-F402 HydrophobicContact CD1-CE1 4.34Å; I342-F402 HydrophobicContact CG1-CD1 4.37Å; I342-C403 PolarHBondContact N-O 3.33Å; I342-I404 HydrophobicContact CB-CG1 4.23Å; I342-I404 CarbonylContact O-C 3.58Å; I342-I404 WeakPolarHBondContact O-CA 3.13Å; I342-L405 PolarHBondContact O-N 3.37Å
343L87.9Confident73.2Confident4 Ų441.1 Ų41.12%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-95.1118.8177.3-53.4178.9000109.6L276 A280 F299 I300 T301 F302 I341 P345 L405L276-L343 HydrophobicContact CB-CD2 4.31Å; L276-L343 HydrophobicContact CD1-CD2 4.37Å; L276-L343 HydrophobicContact CD2-CD2 4.45Å; A280-L343 HydrophobicContact CB-CD1 3.72Å; F299-L343 HydrophobicContact CD1-CD1 4.24Å; F299-L343 HydrophobicContact CD1-CD2 4.33Å; F299-L343 HydrophobicContact CD1-CG 4.38Å; I300-L343 PolarHBondContact O-N 3.37Å; T301-L343 HydrophobicContact CG2-CB 4.49Å; F302-L343 PolarHBondContact N-O 3.4Å; I341-L343 HydrophobicContact CG2-CD2 4.14Å; L343-P345 VanDerWaalsContact O-CD 3.3Å; L343-P345 WeakPolarHBondContact O-CD 3.37Å; L343-L405 CarbonylContact C-O 3.55Å; L343-L405 WeakPolarHBondContact CA-O 3.08Å; L343-L405 HydrophobicContact CD2-CB 3.98Å; L343-L405 HydrophobicContact CD2-CD1 4.04Å
344W88.4Confident73.3Confident2 Ų238 Ų381%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-11295.9179.6-159-27000111.9F302 I347 W350 F374 L378 F381 L405 A406 T407F302-W344 HydrophobicContact CB-CG 4.29Å; F302-W344 HydrophobicContact CD2-CB 4.09Å; F302-W344 AromaticContact CD2-CD2 3.87Å; F302-W344 HydrophobicContact CD2-CD2 3.87Å; F302-W344 AromaticContact CD2-CE3 3.97Å; F302-W344 HydrophobicContact CD2-CE3 3.97Å; F302-W344 AromaticContact CD2-CG 3.95Å; F302-W344 HydrophobicContact CD2-CG 3.95Å; F302-W344 HydrophobicContact CE2-CD2 4Å; F302-W344 AromaticContact CE2-CE3 3.64Å; F302-W344 HydrophobicContact CE2-CE3 3.64Å; F302-W344 AromaticContact CE2-CZ3 4Å; F302-W344 HydrophobicContact CE2-CZ3 4Å; F302-W344 HydrophobicContact CG-CD2 4.37Å; F302-W344 HydrophobicContact CG-CG 4.36Å; F302-W344 HydrophobicContact CZ-CE3 4.26Å; F302-W344 HydrophobicContact CZ-CH2 4.49Å; F302-W344 HydrophobicContact CZ-CZ3 4.19Å; W344-I347 HydrophobicContact CD2-CD1 4.17Å; W344-I347 HydrophobicContact CD2-CG1 4.37Å; W344-I347 HydrophobicContact CE3-CD1 4.34Å; W344-I347 HydrophobicContact CG-CB 4.47Å; W344-I347 HydrophobicContact CZ2-CD1 4.43Å; W344-I347 HydrophobicContact CZ2-CG1 4.33Å; W344-W350 HydrophobicContact CZ2-CE3 4.02Å; W344-W350 HydrophobicContact CZ2-CZ3 4.09Å; W344-W350 AromaticContact NE1-CD2 3.72Å; W344-W350 AromaticContact NE1-CE2 3.67Å; W344-W350 AromaticContact NE1-CE3 3.88Å; W344-W350 AromaticContact NE1-CZ2 3.92Å; W344-W350 AromaticContact NE1-CZ3 3.95Å; W344-F374 HydrophobicContact CH2-CZ 4.38Å; W344-F374 AromaticContact CZ2-CE2 3.97Å; W344-F374 HydrophobicContact CZ2-CE2 3.97Å; W344-F374 HydrophobicContact CZ2-CZ 4.14Å; W344-L378 HydrophobicContact CH2-CD1 3.84Å; W344-L378 HydrophobicContact CZ3-CD1 3.88Å; W344-F381 HydrophobicContact CZ3-CD1 4.15Å; W344-F381 HydrophobicContact CZ3-CE1 4.16Å; W344-L405 PolarHBondContact N-O 2.96Å; W344-A406 HydrophobicContact CB-CB 3.97Å; W344-A406 CarbonylContact O-C 3.55Å; W344-A406 VanDerWaalsContact O-CA 3.24Å; W344-A406 WeakPolarHBondContact O-CA 3.39Å; W344-T407 PolarHBondContact O-N 3.4Å
345P84.3Confident73Confident18 Ų1833.6 Ų33.612%0.11716%0.164CC..THydrogen-bonded Turntrans-79.3132.6-178.230-33.3000113.3R273 T301 F302 L343 I347 W350 T407R273-P345 HydrophobicContact CG-CB 4.39Å; T301-P345 HydrophobicContact CG2-CG 4.26Å; F302-P345 WeakPolarHBondContact O-CD 3.4Å; L343-P345 VanDerWaalsContact O-CD 3.3Å; L343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-I347 PolarHBondContact O-N 2.98Å; P345-W350 PolarHBondContact O-NE1 3.29Å; P345-T407 VanDerWaalsContact CA-OG1 3.3Å; P345-T407 WeakPolarHBondContact CA-OG1 3.35Å
346N82Confident72.3Confident34 Ų3434.8 Ų34.818%0.18218%0.176CC..THydrogen-bonded Turntrans50.752.5174.4-50.8-68.7000114.5D348 K349 T407N346-D348 WeakPolarHBondContact CA-OD1 3.26Å; N346-D348 PolarHBondContact O-N 3.29Å; N346-D348 VanDerWaalsContact O-N 3.11Å; N346-K349 HydrophobicContact CB-CB 4.42Å; N346-K349 HydrophobicContact CB-CD 3.94Å; N346-K349 HydrophobicContact CB-CG 4.08Å; N346-K349 WeakPolarHBondContact O-CB 3.44Å; N346-K349 PolarHBondContact O-N 3.04Å; N346-T407 CarbonylContact C-O 3.59Å; N346-T407 WeakPolarHBondContact CA-O 3.27Å; N346-T407 PolarHBondContact N-O 3.41Å; N346-T407 PolarHBondContact N-OG1 2.85Å
347I84.6Confident71.2Confident0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-54.1-30.6-179-170.9172.6000113I263 W344 P345 K349 W350 I351 F374 A406 T407 A408 V414 F424I263-I347 HydrophobicContact CD1-CG2 3.97Å; W344-I347 HydrophobicContact CD2-CD1 4.17Å; W344-I347 HydrophobicContact CD2-CG1 4.37Å; W344-I347 HydrophobicContact CE3-CD1 4.34Å; W344-I347 HydrophobicContact CG-CB 4.47Å; W344-I347 HydrophobicContact CZ2-CD1 4.43Å; W344-I347 HydrophobicContact CZ2-CG1 4.33Å; P345-I347 PolarHBondContact O-N 2.98Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.02Å; I347-W350 WeakPolarHBondContact O-CB 3.42Å; I347-W350 PolarHBondContact O-N 3.49Å; I347-W350 VanDerWaalsContact O-N 3.11Å; I347-I351 PolarHBondContact O-N 3.2Å; I347-F374 HydrophobicContact CD1-CZ 4.08Å; I347-F374 HydrophobicContact CG1-CE2 4.29Å; I347-F374 HydrophobicContact CG1-CZ 3.77Å; I347-A406 HydrophobicContact CG2-CB 4.49Å; I347-T407 PolarHBondContact N-O 3.37Å; I347-A408 HydrophobicContact CG2-CB 3.92Å; I347-V414 HydrophobicContact CD1-CG1 4.17Å; I347-V414 HydrophobicContact CG2-CG1 4.21Å; I347-V414 HydrophobicContact CG2-CG2 3.82Å; I347-F424 HydrophobicContact CD1-CE2 3.87Å; I347-F424 HydrophobicContact CD1-CZ 4.08Å
348D79Confident69.4Low6 Ų637.8 Ų37.83%0.03219%0.19CC..Hα-helixtrans-60.4-35.6175.657.9-40000113.6N346 W350 I351 D352 A408 T409 V414N346-D348 WeakPolarHBondContact CA-OD1 3.26Å; N346-D348 PolarHBondContact O-N 3.29Å; N346-D348 VanDerWaalsContact O-N 3.11Å; D348-W350 PolarHBondContact O-N 3.15Å; D348-I351 PolarHBondContact O-N 2.73Å; D348-D352 PolarHBondContact O-N 3.38Å; D348-A408 HydrophobicContact CB-CB 4.25Å; D348-T409 VanDerWaalsContact CG-N 3.32Å; D348-T409 PolarHBondContact OD1-N 3.36Å; D348-T409 WeakPolarHBondContact OD2-CA 3.36Å; D348-T409 WeakPolarHBondContact OD2-CB 3.37Å; D348-T409 WeakPolarHBondContact OD2-CG2 3.46Å; D348-T409 PolarHBondContact OD2-N 2.82Å; D348-T409 PolarHBondContact OD2-OG1 3.31Å; D348-V414 HydrophobicContact CB-CG2 4.34Å
349K75.4Confident67.4Low116 Ų11642.6 Ų42.650%0.50422%0.22SC..Hα-helixtrans-68.2-23.1177.2-67.4-174177.9-177.90113N346 I347 N353N346-K349 HydrophobicContact CB-CB 4.42Å; N346-K349 HydrophobicContact CB-CD 3.94Å; N346-K349 HydrophobicContact CB-CG 4.08Å; N346-K349 WeakPolarHBondContact O-CB 3.44Å; N346-K349 PolarHBondContact O-N 3.04Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.02Å; K349-N353 PolarHBondContact O-N 2.75Å; K349-N353 PolarHBondContact O-ND2 3.29Å; K349-N353 PolarHBondContact O-OD1 3.19Å
350W73Confident65.2Low43 Ų4349.1 Ų49.116%0.16326%0.255CS..Hα-helixtrans-78.1-34.3-179.6-62.550.6000110F302 V307 W344 P345 I347 D348 F374F302-W350 HydrophobicContact CB-CH2 4.32Å; F302-W350 HydrophobicContact CD1-CH2 4.33Å; V307-W350 HydrophobicContact CB-CZ3 4.3Å; V307-W350 HydrophobicContact CG2-CE3 3.66Å; V307-W350 HydrophobicContact CG2-CH2 3.17Å; V307-W350 HydrophobicContact CG2-CZ2 4.12Å; V307-W350 HydrophobicContact CG2-CZ3 2.95Å; W344-W350 HydrophobicContact CZ2-CE3 4.02Å; W344-W350 HydrophobicContact CZ2-CZ3 4.09Å; W344-W350 AromaticContact NE1-CD2 3.72Å; W344-W350 AromaticContact NE1-CE2 3.67Å; W344-W350 AromaticContact NE1-CE3 3.88Å; W344-W350 AromaticContact NE1-CZ2 3.92Å; W344-W350 AromaticContact NE1-CZ3 3.95Å; P345-W350 PolarHBondContact O-NE1 3.29Å; I347-W350 WeakPolarHBondContact O-CB 3.42Å; I347-W350 PolarHBondContact O-N 3.49Å; I347-W350 VanDerWaalsContact O-N 3.11Å; D348-W350 PolarHBondContact O-N 3.15Å; W350-F374 HydrophobicContact CB-CD2 3.73Å; W350-F374 HydrophobicContact CB-CE2 3.54Å; W350-F374 HydrophobicContact CG-CE2 4.46Å
351I70.4Confident62.7Low9 Ų953.6 Ų53.65%0.04628%0.282CS..Hα-helixtrans-72.4-42.1173.5-55.7171.1000110.8I347 D348 N353 D354 F374 K413 V414 I417I347-I351 PolarHBondContact O-N 3.2Å; D348-I351 PolarHBondContact O-N 2.73Å; I351-N353 VanDerWaalsContact C-N 3.25Å; I351-N353 PolarHBondContact O-N 3.25Å; I351-D354 PolarHBondContact O-N 2.93Å; I351-F374 HydrophobicContact CD1-CE1 4.15Å; I351-F374 HydrophobicContact CD1-CZ 4.42Å; I351-F374 HydrophobicContact CG1-CD1 3.84Å; I351-F374 HydrophobicContact CG1-CD2 4.18Å; I351-F374 HydrophobicContact CG1-CE1 3.78Å; I351-F374 HydrophobicContact CG1-CE2 4.15Å; I351-F374 HydrophobicContact CG1-CG 4.03Å; I351-F374 HydrophobicContact CG1-CZ 3.94Å; I351-K413 HydrophobicContact CG2-CB 4.42Å; I351-V414 HydrophobicContact CD1-CB 4.09Å; I351-V414 HydrophobicContact CD1-CG1 4.5Å; I351-V414 HydrophobicContact CD1-CG2 3.75Å; I351-I417 HydrophobicContact CD1-CD1 3.85Å; I351-I417 HydrophobicContact CG1-CD1 4.11Å; I351-I417 HydrophobicContact CG2-CD1 4.48Å
352D63.1Low60Low34 Ų3463.3 Ų63.318%0.18233%0.327CS..Hα-helixtrans-64.2-28.6178.3-89.27.1000112.8D348 D354 N356 K413 R649D348-D352 PolarHBondContact O-N 3.38Å; D352-D354 VanDerWaalsContact C-N 3.31Å; D352-N356 PolarHBondContact O-ND2 2.73Å; D352-K413 VanDerWaalsContact OD1-CD 3.25Å; D352-K413 WeakPolarHBondContact OD1-CD 3.33Å; D352-K413 WeakPolarHBondContact OD1-CE 3.11Å; D352-K413 IonicContact OD1-NZ 2.59Å; D352-K413 PolarHBondContact OD1-NZ 3.46Å; D352-R649 IonicContact OD2-NH2 3.97Å; D352-R649 PolarHBondContact OD2-NH2 2.86Å
353N58.7Low57.3Low104 Ų10467.6 Ų67.656%0.55636%0.358SS*.Hα-helixtrans-70.5-26.4178.9-77-12.5000113K349 I351K349-N353 PolarHBondContact O-N 2.75Å; K349-N353 PolarHBondContact O-ND2 3.29Å; K349-N353 PolarHBondContact O-OD1 3.19Å; I351-N353 VanDerWaalsContact C-N 3.25Å; I351-N353 PolarHBondContact O-N 3.25Å
354D51.2Low54.3Low21 Ų2173.8 Ų73.811%0.11240%0.396CS..Hα-helixtrans-67.9-45.9175.2-84.1-0.8000111.7I351 D352 N356 I357 M373 F374I351-D354 PolarHBondContact O-N 2.93Å; D352-D354 VanDerWaalsContact C-N 3.31Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.44Å; D354-I357 PolarHBondContact O-N 3.06Å; D354-M373 VanDerWaalsContact OD1-CB 3.3Å; D354-M373 WeakPolarHBondContact OD1-CB 3.3Å; D354-M373 PolarHBondContact OD2-N 3.43Å; D354-F374 WeakPolarHBondContact OD2-CA 3.44Å; D354-F374 WeakPolarHBondContact OD2-CB 3.48Å; D354-F374 PolarHBondContact OD2-N 2.7Å
355E47Very low51.3Low76 Ų7677.6 Ų77.636%0.35543%0.428SS..Hα-helixtrans-67.2-29.8-175.5-69.7-179.2167.900113I357 D358 K372 K413E355-I357 PolarHBondContact O-N 3.47Å; E355-D358 PolarHBondContact O-N 3.23Å; E355-K372 IonicContact OE1-NZ 3.47Å; E355-K413 IonicContact OE1-NZ 3.96Å; E355-K413 IonicContact OE2-NZ 2.7Å; E355-K413 PolarHBondContact OE2-NZ 3.39Å
356N39.1Very low48.5Very low100 Ų10084.2 Ų84.254%0.53546%0.462SS..Hα-helixtrans-73.8-13.8-180-72.3-39.2000113.4D352 D354 D358 T359D352-N356 PolarHBondContact O-ND2 2.73Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.44Å; N356-D358 VanDerWaalsContact C-N 3.34Å; N356-T359 PolarHBondContact O-OG1 3.29Å
357I39.1Very low46Very low108 Ų10887.3 Ų87.355%0.55448%0.482SS*.Hα-helixtrans-73.7-33.2176.3-62.9170000109.8D354 E355 T359D354-I357 PolarHBondContact O-N 3.06Å; E355-I357 PolarHBondContact O-N 3.47Å; I357-T359 PolarHBondContact O-N 3.14Å
358D31.8Very low43.3Very low109 Ų10994.9 Ų94.958%0.58352%0.523SS*.Hα-helixtrans-69.9-29.5-176-62.9-15.1000112.9E355 N356 N360E355-D358 PolarHBondContact O-N 3.23Å; N356-D358 VanDerWaalsContact C-N 3.34Å; D358-N360 PolarHBondContact O-N 2.98Å
359T32.2Very low41.2Very low105 Ų105101 Ų10164%0.64456%0.56SS**THydrogen-bonded Turntrans-80.7-10.9-17555.70000115.1N356 I357N356-T359 PolarHBondContact O-OG1 3.29Å; I357-T359 PolarHBondContact O-N 3.14Å
360N30.7Very low39.3Very low139 Ų139102.3 Ų102.374%0.74357%0.568SS**THydrogen-bonded Turntrans-991.4-175.6-77.8-24.7000114.5D358D358-N360 PolarHBondContact O-N 2.98Å
361T28.5Very low37.9Very low94 Ų94102.9 Ų102.958%0.57758%0.579SS**  trans-114.594.9176.952.30000110.4S363T361-S363 PolarHBondContact O-N 2.93Å
362H27.9Very low37.1Very low204 Ų204108 Ų10894%0.94460%0.601SS**  trans-68.572.9158.2-74.1-65.1000109
363S27.9Very low37.3Very low93 Ų93110.8 Ų110.865%0.6561%0.613SS**  trans-117.4106.4163.547.80000108.4T361T361-S363 PolarHBondContact O-N 2.93Å
364T25Very low38Very low135 Ų135106 Ų10683%0.82859%0.588SS**  trans-52.1147.4164.647.20000112.1
365A26.7Very low39Very low81 Ų81106.6 Ų106.667%0.66959%0.593SS**SBendtrans76.9116.4159.700000117.7
366D26.1Very low40.3Very low158 Ų158107.8 Ų107.885%0.84560%0.597SS**  trans61.969.3142.6-53.6-20.1000118.1
367T29Very low42.1Very low98 Ų98103.5 Ų103.560%0.60157%0.574SS**  trans-131.7105.2149.2500000110.8V369 E370T367-V369 PolarHBondContact O-N 3.5Å; T367-E370 PolarHBondContact OG1-OE1 3.48Å
368D27.4Very low44Very low159 Ų15998.4 Ų98.485%0.8555%0.548SS*.THydrogen-bonded Turntrans-46.9125.6163.9-70.6-52.3000110.9E370D368-E370 PolarHBondContact O-N 3.29Å
369V35.6Very low46.2Very low135 Ų13598.1 Ų98.182%0.81854%0.543SS*.THydrogen-bonded Turntrans46.761.3159.2-163.10000113.3T367 S371T367-V369 PolarHBondContact O-N 3.5Å; V369-S371 PolarHBondContact O-N 3.37Å
370E34.8Very low48.3Very low143 Ų14396.2 Ų96.267%0.66852%0.524SS*.  trans-62.196.1161.6-79.1-175-17000108.6T367 D368 K372T367-E370 PolarHBondContact OG1-OE1 3.48Å; D368-E370 PolarHBondContact O-N 3.29Å; E370-K372 PolarHBondContact O-N 3.36Å
371S43.4Very low50.6Low56 Ų5689.8 Ų89.839%0.39249%0.489SS..  trans-53.8123.8-178.356.20000111.2V369 M373 K376V369-S371 PolarHBondContact O-N 3.37Å; S371-M373 PolarHBondContact O-N 2.96Å; S371-K376 WeakPolarHBondContact OG-CE 3.11Å; S371-K376 PolarHBondContact OG-NZ 2.76Å
372K54.6Low53Low117 Ų11786.7 Ų86.751%0.50947%0.469SS..  trans-46136.6170.8-62.1-175.1177.9-167.90110.7E355 E370 P375E355-K372 IonicContact OE1-NZ 3.47Å; E370-K372 PolarHBondContact O-N 3.36Å; K372-P375 HydrophobicContact CB-CG 3.99Å; K372-P375 WeakPolarHBondContact O-CD 2.89Å
373M66.3Low55.4Low91 Ų9180.3 Ų80.345%0.44844%0.44SS..Hα-helixtrans-72.1-35.6-174.6-156.1-169.3-160.700111.6T311 D354 S371 K376 I377T311-M373 HydrophobicContact CG2-CE 3.36Å; T311-M373 HydrophobicContact CG2-SD 3.94Å; D354-M373 VanDerWaalsContact OD1-CB 3.3Å; D354-M373 WeakPolarHBondContact OD1-CB 3.3Å; D354-M373 PolarHBondContact OD2-N 3.43Å; S371-M373 PolarHBondContact O-N 2.96Å; M373-K376 WeakPolarHBondContact O-CB 3.28Å; M373-K376 PolarHBondContact O-N 3.17Å; M373-I377 HydrophobicContact CB-CD1 4.41Å; M373-I377 HydrophobicContact CG-CD1 3.94Å; M373-I377 HydrophobicContact CG-CG1 4.45Å; M373-I377 VanDerWaalsContact O-CG1 3.3Å; M373-I377 WeakPolarHBondContact O-CG1 2.89Å; M373-I377 PolarHBondContact O-N 2.76Å; M373-I377 HydrophobicContact SD-CD1 4.16Å
374F74Confident57.6Low3 Ų376.1 Ų76.11%0.01341%0.41CS..Hα-helixtrans-64.4-46.6-174.3-178.6-86.3000113.5W344 I347 W350 I351 D354 K376 I377 L378 I417W344-F374 HydrophobicContact CH2-CZ 4.38Å; W344-F374 AromaticContact CZ2-CE2 3.97Å; W344-F374 HydrophobicContact CZ2-CE2 3.97Å; W344-F374 HydrophobicContact CZ2-CZ 4.14Å; I347-F374 HydrophobicContact CD1-CZ 4.08Å; I347-F374 HydrophobicContact CG1-CE2 4.29Å; I347-F374 HydrophobicContact CG1-CZ 3.77Å; W350-F374 HydrophobicContact CB-CD2 3.73Å; W350-F374 HydrophobicContact CB-CE2 3.54Å; W350-F374 HydrophobicContact CG-CE2 4.46Å; I351-F374 HydrophobicContact CD1-CE1 4.15Å; I351-F374 HydrophobicContact CD1-CZ 4.42Å; I351-F374 HydrophobicContact CG1-CD1 3.84Å; I351-F374 HydrophobicContact CG1-CD2 4.18Å; I351-F374 HydrophobicContact CG1-CE1 3.78Å; I351-F374 HydrophobicContact CG1-CE2 4.15Å; I351-F374 HydrophobicContact CG1-CG 4.03Å; I351-F374 HydrophobicContact CG1-CZ 3.94Å; D354-F374 WeakPolarHBondContact OD2-CA 3.44Å; D354-F374 WeakPolarHBondContact OD2-CB 3.48Å; D354-F374 PolarHBondContact OD2-N 2.7Å; F374-K376 VanDerWaalsContact C-N 3.27Å; F374-K376 PolarHBondContact O-N 3.15Å; F374-I377 PolarHBondContact O-N 3.33Å; F374-I377 VanDerWaalsContact O-N 3.13Å; F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3.22Å; F374-L378 PolarHBondContact O-N 3.41Å; F374-I417 HydrophobicContact CD1-CD1 3.51Å; F374-I417 HydrophobicContact CE1-CD1 3.71Å
375P72.8Confident60.1Low34 Ų3469.7 Ų69.722%0.22137%0.371CS..Hα-helixtrans-54.9-41.9171.7-27.635.1000112.8K372 L378 E379K372-P375 HydrophobicContact CB-CG 3.99Å; K372-P375 WeakPolarHBondContact O-CD 2.89Å; P375-L378 PolarHBondContact O-N 2.99Å; P375-E379 WeakPolarHBondContact O-CB 3.32Å; P375-E379 PolarHBondContact O-N 2.64Å
376K74Confident62.5Low102 Ų10269.8 Ų69.844%0.44336%0.357SS..Hα-helixtrans-65.8-39176.4-70.9179.7166.6177.60112.6S371 M373 F374 L378 R380S371-K376 WeakPolarHBondContact OG-CE 3.11Å; S371-K376 PolarHBondContact OG-NZ 2.76Å; M373-K376 WeakPolarHBondContact O-CB 3.28Å; M373-K376 PolarHBondContact O-N 3.17Å; F374-K376 VanDerWaalsContact C-N 3.27Å; F374-K376 PolarHBondContact O-N 3.15Å; K376-L378 VanDerWaalsContact C-N 3.33Å; K376-R380 WeakPolarHBondContact O-CB 3.45Å; K376-R380 WeakPolarHBondContact O-CG 3.47Å; K376-R380 PolarHBondContact O-N 2.81Å
377I76.1Confident64.7Low10 Ų1065.9 Ų65.95%0.05134%0.336CS..Hα-helixtrans-64.2-42.9175-67.7160.5000110.2V307 L310 T311 M373 F374 F381V307-I377 HydrophobicContact CG1-CD1 3.97Å; L310-I377 HydrophobicContact CB-CG2 4.29Å; L310-I377 HydrophobicContact CD1-CG2 4.09Å; T311-I377 HydrophobicContact CG2-CD1 3.53Å; T311-I377 HydrophobicContact CG2-CG1 3.68Å; M373-I377 HydrophobicContact CB-CD1 4.41Å; M373-I377 HydrophobicContact CG-CD1 3.94Å; M373-I377 HydrophobicContact CG-CG1 4.45Å; M373-I377 VanDerWaalsContact O-CG1 3.3Å; M373-I377 WeakPolarHBondContact O-CG1 2.89Å; M373-I377 PolarHBondContact O-N 2.76Å; M373-I377 HydrophobicContact SD-CD1 4.16Å; F374-I377 PolarHBondContact O-N 3.33Å; F374-I377 VanDerWaalsContact O-N 3.13Å; I377-F381 VanDerWaalsContact O-CB 3.27Å; I377-F381 WeakPolarHBondContact O-CB 3.46Å; I377-F381 PolarHBondContact O-N 3.32Å
378L79.4Confident66.7Low1 Ų161.3 Ų61.31%0.00531%0.308CS..Hα-helixtrans-66.4-45179.4-177.564.1000111.5W344 F374 P375 K376 F381 I382 I417 E419 C420 L423W344-L378 HydrophobicContact CH2-CD1 3.84Å; W344-L378 HydrophobicContact CZ3-CD1 3.88Å; F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3.22Å; F374-L378 PolarHBondContact O-N 3.41Å; P375-L378 PolarHBondContact O-N 2.99Å; K376-L378 VanDerWaalsContact C-N 3.33Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.67Å; L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.49Å; L378-I382 HydrophobicContact CG-CD1 3.96Å; L378-I382 VanDerWaalsContact O-CG1 3.26Å; L378-I382 WeakPolarHBondContact O-CG1 3.41Å; L378-I382 PolarHBondContact O-N 3.29Å; L378-I417 HydrophobicContact CD2-CG2 4.31Å; L378-E419 HydrophobicContact CD2-CB 3.49Å; L378-E419 VanDerWaalsContact CD2-CB 3.49Å; L378-E419 HydrophobicContact CD2-CG 4.46Å; L378-E419 HydrophobicContact CG-CB 4.2Å; L378-C420 VanDerWaalsContact CD2-SG 3.55Å; L378-L423 HydrophobicContact CD1-CD1 4.46Å
379E77.5Confident68.7Low102 Ų10254.1 Ų54.148%0.47727%0.27SS..Hα-helixtrans-58.5-51.6174.8-173.3178.2-159.100110.6P375 F381 I382 E383P375-E379 WeakPolarHBondContact O-CB 3.32Å; P375-E379 PolarHBondContact O-N 2.64Å; E379-F381 VanDerWaalsContact C-N 3.26Å; E379-F381 PolarHBondContact O-N 3.18Å; E379-I382 PolarHBondContact O-N 2.72Å; E379-I382 VanDerWaalsContact O-N 3.16Å; E379-E383 WeakPolarHBondContact O-CB 3.24Å; E379-E383 WeakPolarHBondContact O-CG 3.5Å; E379-E383 PolarHBondContact O-N 2.88Å
380R76.5Confident70Confident66 Ų6653 Ų5325%0.24926%0.256CS..Hα-helixtrans-58.2-37.3175.4-75.3175.4178-171.2-1113.1L310 T311 S315 K376 S384L310-R380 HydrophobicContact CD2-CB 4.44Å; L310-R380 PolarHBondContact O-NH1 2.94Å; T311-R380 PolarHBondContact O-NH1 3.15Å; S315-R380 PolarHBondContact OG-NH1 3.26Å; K376-R380 WeakPolarHBondContact O-CB 3.45Å; K376-R380 WeakPolarHBondContact O-CG 3.47Å; K376-R380 PolarHBondContact O-N 2.81Å; R380-S384 WeakPolarHBondContact O-CB 3.21Å; R380-S384 PolarHBondContact O-N 3.35Å; R380-S384 PolarHBondContact O-OG 3.12Å
381F79.2Confident71.1Confident3 Ų348.7 Ų48.71%0.01324%0.242CC..Hα-helixtrans-69.1-44.6177.7171.5-112.5000111.8F302 L310 I342 W344 I377 L378 E379 S384 I385 I404F302-F381 HydrophobicContact CE1-CD2 4.09Å; F302-F381 AromaticContact CE1-CE2 3.98Å; F302-F381 HydrophobicContact CE1-CE2 3.98Å; F302-F381 HydrophobicContact CE1-CZ 4.33Å; F302-F381 HydrophobicContact CE2-CD1 4.43Å; F302-F381 HydrophobicContact CE2-CD2 4.47Å; F302-F381 AromaticContact CE2-CE1 3.7Å; F302-F381 HydrophobicContact CE2-CE1 3.7Å; F302-F381 AromaticContact CE2-CE2 3.78Å; F302-F381 HydrophobicContact CE2-CE2 3.78Å; F302-F381 AromaticContact CE2-CZ 3.31Å; F302-F381 HydrophobicContact CE2-CZ 3.31Å; F302-F381 AromaticContact CZ-CD1 3.87Å; F302-F381 HydrophobicContact CZ-CD1 3.87Å; F302-F381 AromaticContact CZ-CD2 3.46Å; F302-F381 HydrophobicContact CZ-CD2 3.46Å; F302-F381 VanDerWaalsContact CZ-CD2 3.46Å; F302-F381 AromaticContact CZ-CE1 3.53Å; F302-F381 HydrophobicContact CZ-CE1 3.53Å; F302-F381 AromaticContact CZ-CE2 3.11Å; F302-F381 HydrophobicContact CZ-CE2 3.11Å; F302-F381 AromaticContact CZ-CG 3.82Å; F302-F381 HydrophobicContact CZ-CG 3.82Å; F302-F381 AromaticContact CZ-CZ 3.12Å; F302-F381 HydrophobicContact CZ-CZ 3.12Å; L310-F381 HydrophobicContact CD1-CB 4.46Å; L310-F381 HydrophobicContact CD2-CB 4.42Å; I342-F381 HydrophobicContact CD1-CE2 4.26Å; I342-F381 HydrophobicContact CD1-CZ 3.68Å; I342-F381 HydrophobicContact CG2-CZ 4.37Å; W344-F381 HydrophobicContact CZ3-CD1 4.15Å; W344-F381 HydrophobicContact CZ3-CE1 4.16Å; I377-F381 VanDerWaalsContact O-CB 3.27Å; I377-F381 WeakPolarHBondContact O-CB 3.46Å; I377-F381 PolarHBondContact O-N 3.32Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.67Å; E379-F381 VanDerWaalsContact C-N 3.26Å; E379-F381 PolarHBondContact O-N 3.18Å; F381-S384 PolarHBondContact O-N 2.92Å; F381-I385 HydrophobicContact CD1-CD1 4.01Å; F381-I385 HydrophobicContact CD2-CD1 4.28Å; F381-I385 HydrophobicContact CE1-CD1 3.35Å; F381-I385 HydrophobicContact CE1-CG1 4.49Å; F381-I385 HydrophobicContact CE2-CD1 3.64Å; F381-I385 HydrophobicContact CE2-CG1 3.97Å; F381-I385 HydrophobicContact CG-CD1 4.44Å; F381-I385 HydrophobicContact CZ-CD1 3.15Å; F381-I385 HydrophobicContact CZ-CG1 3.99Å; F381-I385 PolarHBondContact O-N 2.86Å; F381-I404 HydrophobicContact CE1-CD1 4.06Å
382I79.2Confident71.5Confident30 Ų3047 Ų4715%0.15423%0.228CC..Hα-helixtrans-62.2-45.6176.3-69166.4000110.2I258 L378 E379 S384 I385 Q386 E419 L423I258-I382 HydrophobicContact CD1-CG2 4.01Å; L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.49Å; L378-I382 HydrophobicContact CG-CD1 3.96Å; L378-I382 VanDerWaalsContact O-CG1 3.26Å; L378-I382 WeakPolarHBondContact O-CG1 3.41Å; L378-I382 PolarHBondContact O-N 3.29Å; E379-I382 PolarHBondContact O-N 2.72Å; E379-I382 VanDerWaalsContact O-N 3.16Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.4Å; I382-I385 PolarHBondContact O-N 3.4Å; I382-Q386 WeakPolarHBondContact O-CG 3.34Å; I382-Q386 PolarHBondContact O-N 3.41Å; I382-E419 HydrophobicContact CD1-CB 4.4Å; I382-L423 HydrophobicContact CD1-CD1 4.02Å; I382-L423 HydrophobicContact CG1-CD1 4.07Å
383E77.4Confident71.2Confident70 Ų7046.4 Ų46.433%0.32723%0.234SC..Hα-helixtrans-58.7-44.1173.9-73.7179.7170.300111.7H316 E379 I385 Q386 L387H316-E383 IonicContact CE1-OE2 3.19Å; H316-E383 IonicContact ND1-OE2 3.63Å; E379-E383 WeakPolarHBondContact O-CB 3.24Å; E379-E383 WeakPolarHBondContact O-CG 3.5Å; E379-E383 PolarHBondContact O-N 2.88Å; E383-I385 VanDerWaalsContact C-N 3.33Å; E383-I385 PolarHBondContact O-N 2.85Å; E383-Q386 PolarHBondContact O-N 2.94Å; E383-Q386 VanDerWaalsContact O-N 3.17Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 VanDerWaalsContact O-CG 3.31Å; E383-L387 WeakPolarHBondContact O-CG 3.31Å; E383-L387 PolarHBondContact O-N 3.02Å
384S75.2Confident70.3Confident4 Ų450.5 Ų50.53%0.02825%0.252CS..Hα-helixtrans-62.4-40.7178.7-59.90000111.7R380 F381 I382 L387 V388R380-S384 WeakPolarHBondContact O-CB 3.21Å; R380-S384 PolarHBondContact O-N 3.35Å; R380-S384 PolarHBondContact O-OG 3.12Å; F381-S384 PolarHBondContact O-N 2.92Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.4Å; S384-L387 PolarHBondContact O-N 3.39Å; S384-V388 VanDerWaalsContact O-CG2 3.3Å; S384-V388 WeakPolarHBondContact O-CG2 3.36Å; S384-V388 PolarHBondContact O-N 3.46Å
385I77.4Confident69Low0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-62.2-46.4172.9-73.9165.8000110.9I258 L323 I342 F381 I382 E383 L387 V388 S389 F402I258-I385 HydrophobicContact CD1-CB 4.22Å; I258-I385 HydrophobicContact CD1-CD1 4.28Å; I258-I385 HydrophobicContact CD1-CG2 3.78Å; I258-I385 HydrophobicContact CG1-CG2 3.63Å; L323-I385 HydrophobicContact CD1-CG1 4.33Å; I342-I385 HydrophobicContact CD1-CD1 4.22Å; F381-I385 HydrophobicContact CD1-CD1 4.01Å; F381-I385 HydrophobicContact CD2-CD1 4.28Å; F381-I385 HydrophobicContact CE1-CD1 3.35Å; F381-I385 HydrophobicContact CE1-CG1 4.49Å; F381-I385 HydrophobicContact CE2-CD1 3.64Å; F381-I385 HydrophobicContact CE2-CG1 3.97Å; F381-I385 HydrophobicContact CG-CD1 4.44Å; F381-I385 HydrophobicContact CZ-CD1 3.15Å; F381-I385 HydrophobicContact CZ-CG1 3.99Å; F381-I385 PolarHBondContact O-N 2.86Å; I382-I385 PolarHBondContact O-N 3.4Å; E383-I385 VanDerWaalsContact C-N 3.33Å; E383-I385 PolarHBondContact O-N 2.85Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-L387 PolarHBondContact O-N 2.94Å; I385-V388 PolarHBondContact O-N 3.18Å; I385-S389 WeakPolarHBondContact O-CB 3.5Å; I385-S389 PolarHBondContact O-N 3.22Å; I385-S389 PolarHBondContact O-OG 3.39Å; I385-F402 HydrophobicContact CG1-CD1 4.46Å; I385-F402 HydrophobicContact CG1-CG 4.48Å; I385-F402 HydrophobicContact CG2-CB 4.1Å; I385-F402 HydrophobicContact CG2-CD1 4.43Å; I385-F402 HydrophobicContact CG2-CD2 3.35Å; I385-F402 HydrophobicContact CG2-CE2 3.77Å; I385-F402 HydrophobicContact CG2-CG 3.71Å; I385-F402 HydrophobicContact CG2-CZ 4.45Å
386Q76.5Confident68Low84 Ų8463.7 Ų63.739%0.39331%0.314SS..Hα-helixtrans-61.1-43.4179.2-72.6176.11.400111I382 E383 S389 Q390I382-Q386 WeakPolarHBondContact O-CG 3.34Å; I382-Q386 PolarHBondContact O-N 3.41Å; E383-Q386 PolarHBondContact O-N 2.94Å; E383-Q386 VanDerWaalsContact O-N 3.17Å; Q386-S389 WeakPolarHBondContact CA-OG 3.36Å; Q386-S389 PolarHBondContact O-N 3.01Å; Q386-S389 PolarHBondContact O-OG 3.43Å; Q386-Q390 WeakPolarHBondContact O-CB 3.32Å; Q386-Q390 WeakPolarHBondContact O-CG 3.38Å; Q386-Q390 PolarHBondContact O-N 3.45Å
387L72.8Confident67.2Low76 Ų7662.5 Ų62.540%0.39831%0.312SS..Hα-helixtrans-61.8-44.6175.7-72.3174.3000112.4Y320 E383 S384 I385 S389 Q390 S391Y320-L387 HydrophobicContact CD2-CB 3.84Å; Y320-L387 HydrophobicContact CE2-CB 4.14Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 VanDerWaalsContact O-CG 3.31Å; E383-L387 WeakPolarHBondContact O-CG 3.31Å; E383-L387 PolarHBondContact O-N 3.02Å; S384-L387 PolarHBondContact O-N 3.39Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-L387 PolarHBondContact O-N 2.94Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 3.19Å; L387-Q390 PolarHBondContact O-N 3.32Å; L387-S391 WeakPolarHBondContact O-CB 3.38Å; L387-S391 PolarHBondContact O-N 2.89Å
388V71.6Confident66.4Low1 Ų162.6 Ų62.61%0.00631%0.313CS..Hα-helixtrans-62.1-38.9175.91730000110.9Y320 L323 T324 S384 I385 L392 Y400 F402Y320-V388 HydrophobicContact CD2-CG2 3.6Å; Y320-V388 HydrophobicContact CE2-CB 4.44Å; Y320-V388 HydrophobicContact CE2-CG2 3.72Å; L323-V388 HydrophobicContact CB-CG2 3.92Å; L323-V388 HydrophobicContact CD1-CG2 4.24Å; T324-V388 HydrophobicContact CG2-CG2 3.99Å; S384-V388 VanDerWaalsContact O-CG2 3.3Å; S384-V388 WeakPolarHBondContact O-CG2 3.36Å; S384-V388 PolarHBondContact O-N 3.46Å; I385-V388 PolarHBondContact O-N 3.18Å; V388-L392 VanDerWaalsContact O-CD1 3.3Å; V388-L392 WeakPolarHBondContact O-CD1 3.49Å; V388-Y400 HydrophobicContact CG1-CD2 3.8Å; V388-Y400 HydrophobicContact CG1-CG 4.4Å; V388-F402 HydrophobicContact CB-CZ 4.4Å; V388-F402 HydrophobicContact CG1-CE2 4.32Å; V388-F402 HydrophobicContact CG1-CZ 3.95Å
389S67.5Low65.8Low8 Ų865.3 Ų65.36%0.05633%0.33CS..Hα-helixtrans-70.8-33.2177.768.50000113.9N257 I385 Q386 L387N257-S389 WeakPolarHBondContact CB-OG 3.2Å; N257-S389 PolarHBondContact ND2-OG 3.45Å; I385-S389 WeakPolarHBondContact O-CB 3.5Å; I385-S389 PolarHBondContact O-N 3.22Å; I385-S389 PolarHBondContact O-OG 3.39Å; Q386-S389 WeakPolarHBondContact CA-OG 3.36Å; Q386-S389 PolarHBondContact O-N 3.01Å; Q386-S389 PolarHBondContact O-OG 3.43Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 3.19Å
390Q64.2Low65.7Low112 Ų11261.6 Ų61.652%0.52331%0.312SS..Hα-helixtrans-85.8-39.8-177.7-72.6175.4-1.200113.6Q386 L387 L392 V393Q386-Q390 WeakPolarHBondContact O-CB 3.32Å; Q386-Q390 WeakPolarHBondContact O-CG 3.38Å; Q386-Q390 PolarHBondContact O-N 3.45Å; L387-Q390 PolarHBondContact O-N 3.32Å; Q390-L392 PolarHBondContact O-N 2.74Å; Q390-V393 PolarHBondContact O-N 2.92Å
391S58Low65.7Low53 Ų5360.2 Ų60.237%0.37131%0.307SS..Hα-helixtrans-54.1-24.7-175.5168.70000113.9Y320 L387Y320-S391 WeakPolarHBondContact OH-CB 3.25Å; Y320-S391 PolarHBondContact OH-OG 3.14Å; L387-S391 WeakPolarHBondContact O-CB 3.38Å; L387-S391 PolarHBondContact O-N 2.89Å
392L50.8Low65.9Low21 Ų2160 Ų6011%0.1131%0.306CS..THydrogen-bonded Turntrans-101.2-4.7-168.9-63.6161.4000114.4V388 Q390 H394 N397 Y400V388-L392 VanDerWaalsContact O-CD1 3.3Å; V388-L392 WeakPolarHBondContact O-CD1 3.49Å; Q390-L392 PolarHBondContact O-N 2.74Å; L392-H394 PolarHBondContact O-N 3.2Å; L392-N397 HydrophobicContact CB-CB 4.12Å; L392-N397 HydrophobicContact CD2-CB 3.63Å; L392-N397 VanDerWaalsContact CD2-ND2 3.27Å; L392-N397 WeakPolarHBondContact CD2-ND2 3.5Å; L392-N397 HydrophobicContact CG-CB 4.43Å; L392-Y400 HydrophobicContact CD1-CD2 3.19Å; L392-Y400 HydrophobicContact CD1-CE2 3.12Å
393V48.5Very low66.1Low104 Ų10458.6 Ų58.663%0.6330%0.299SS*.THydrogen-bonded Turntrans-68.4-26.2177.3-177.90000111.6Q390Q390-V393 PolarHBondContact O-N 2.92Å
394H47.3Very low66.6Low176 Ų17655.3 Ų55.382%0.81528%0.283SS*.THydrogen-bonded Turntrans-84-25-177.7-78.8-58.5000114.7L392L392-H394 PolarHBondContact O-N 3.2Å
395N47.6Very low67.3Low106 Ų10655.2 Ų55.257%0.56728%0.282SS*.THydrogen-bonded Turntrans-96.9155.8171.8-71.8-23.6000107.9N397N395-N397 HydrophobicContact CB-CB 4.19Å; N395-N397 PolarHBondContact O-N 3.31Å
396Q52.1Low67.9Low209 Ų20955.2 Ų55.298%0.97728%0.283SS*.THydrogen-bonded Turntrans-67.835.6171.4-66.7177.3-19.400112.3
397N55.8Low68.6Low77 Ų7751.2 Ų51.241%0.41226%0.264SS..PPolyproline II helixtrans-88.3152.7-177.8-72.6-2.7000109.6L392 N395L392-N397 HydrophobicContact CB-CB 4.12Å; L392-N397 HydrophobicContact CD2-CB 3.63Å; L392-N397 VanDerWaalsContact CD2-ND2 3.27Å; L392-N397 WeakPolarHBondContact CD2-ND2 3.5Å; L392-N397 HydrophobicContact CG-CB 4.43Å; N395-N397 HydrophobicContact CB-CB 4.19Å; N395-N397 PolarHBondContact O-N 3.31Å
398P59.7Low69.3Low11 Ų1147.6 Ų47.67%0.07125%0.245CC..PPolyproline II helixtrans-58.9140.9176.328.6-40.5000111.2V332 R335 I338 Y400V332-P398 HydrophobicContact CB-CG 4.5Å; V332-P398 HydrophobicContact CG1-CB 4.11Å; V332-P398 HydrophobicContact CG1-CG 3.47Å; V332-P398 VanDerWaalsContact CG1-CG 3.47Å; V332-P398 HydrophobicContact CG2-CG 4.23Å; R335-P398 WeakPolarHBondContact O-CB 3.36Å; I338-P398 HydrophobicContact CD1-CB 3.67Å; I338-P398 HydrophobicContact CD1-CG 3.69Å; I338-P398 HydrophobicContact CG1-CB 3.96Å; P398-Y400 HydrophobicContact CG-CE1 4.46Å
399T68.1Low69.6Low59 Ų5949.3 Ų49.336%0.36226%0.256SS..EExtended strand (participates in β ladder)trans-76.9136168.257.30000110N336 C337 I338N336-T399 PolarHBondContact O-N 3.3Å; N336-T399 PolarHBondContact O-OG1 3.23Å; N336-T399 VanDerWaalsContact O-OG1 3.06Å; C337-T399 CarbonylContact C-O 3.46Å; C337-T399 WeakPolarHBondContact CA-O 3.44Å; C337-T399 WeakPolarHBondContact CB-OG1 3.38Å; I338-T399 PolarHBondContact N-O 2.95Å
400Y73.7Confident70Confident23 Ų2350.4 Ų50.49%0.0926%0.262CS..EExtended strand (participates in β ladder)trans-97.9132.8174.2-64.3-70000111.1V327 I338 V340 V388 L392 P398V327-Y400 HydrophobicContact CB-CE1 4.46Å; V327-Y400 HydrophobicContact CG1-CD1 3.57Å; V327-Y400 HydrophobicContact CG1-CD2 4.07Å; V327-Y400 HydrophobicContact CG1-CE1 2.98Å; V327-Y400 HydrophobicContact CG1-CE2 3.53Å; V327-Y400 HydrophobicContact CG1-CG 4.12Å; V327-Y400 VanDerWaalsContact CG1-OH 3.28Å; V327-Y400 WeakPolarHBondContact CG1-OH 3.42Å; I338-Y400 HydrophobicContact CB-CD1 3.64Å; I338-Y400 HydrophobicContact CB-CE1 3.62Å; I338-Y400 HydrophobicContact CD1-CD1 4.4Å; I338-Y400 HydrophobicContact CD1-CE1 3.5Å; I338-Y400 HydrophobicContact CG1-CE1 4.08Å; I338-Y400 HydrophobicContact CG2-CD1 3.95Å; I338-Y400 HydrophobicContact CG2-CE1 3.87Å; V340-Y400 HydrophobicContact CG2-CD1 4.13Å; V388-Y400 HydrophobicContact CG1-CD2 3.8Å; V388-Y400 HydrophobicContact CG1-CG 4.4Å; L392-Y400 HydrophobicContact CD1-CD2 3.19Å; L392-Y400 HydrophobicContact CD1-CE2 3.12Å; P398-Y400 HydrophobicContact CG-CE1 4.46Å
401R78.2Confident70.5Confident37 Ų3745.5 Ų45.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-119.6136.9173.4-160165.1177.179.70.2110.1F242 S256 I338 V340F242-R401 HydrophobicContact CE2-CB 4.5Å; F242-R401 HydrophobicContact CE2-CG 3.99Å; F242-R401 HydrophobicContact CZ-CB 4.42Å; F242-R401 HydrophobicContact CZ-CG 4.4Å; S256-R401 PolarHBondContact O-NH1 3.48Å; I338-R401 PolarHBondContact O-N 3.27Å; V340-R401 PolarHBondContact N-O 3.35Å
402F81.5Confident71.3Confident0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-116.5134.8-169.1-64.8-90.1000112.2T259 V340 I342 I385 V388T259-F402 PolarHBondContact N-O 2.87Å; T259-F402 VanDerWaalsContact N-O 3.16Å; T259-F402 PolarHBondContact OG1-O 3.32Å; V340-F402 HydrophobicContact CB-CD1 3.72Å; V340-F402 HydrophobicContact CB-CE1 3.86Å; V340-F402 HydrophobicContact CG1-CD1 3.81Å; V340-F402 HydrophobicContact CG1-CE1 3.81Å; V340-F402 HydrophobicContact CG2-CD1 4.45Å; V340-F402 HydrophobicContact CG2-CE1 4.16Å; V340-F402 WeakPolarHBondContact O-CA 3.2Å; I342-F402 HydrophobicContact CD1-CD1 3.75Å; I342-F402 HydrophobicContact CD1-CE1 4.34Å; I342-F402 HydrophobicContact CG1-CD1 4.37Å; I385-F402 HydrophobicContact CG1-CD1 4.46Å; I385-F402 HydrophobicContact CG1-CG 4.48Å; I385-F402 HydrophobicContact CG2-CB 4.1Å; I385-F402 HydrophobicContact CG2-CD1 4.43Å; I385-F402 HydrophobicContact CG2-CD2 3.35Å; I385-F402 HydrophobicContact CG2-CE2 3.77Å; I385-F402 HydrophobicContact CG2-CG 3.71Å; I385-F402 HydrophobicContact CG2-CZ 4.45Å; V388-F402 HydrophobicContact CB-CZ 4.4Å; V388-F402 HydrophobicContact CG1-CE2 4.32Å; V388-F402 HydrophobicContact CG1-CZ 3.95Å
403C84.8Confident72.3Confident0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-126.5137.5171.6168.20000109.8Y238 F242 V340 I341 I342Y238-C403 WeakPolarHBondContact CE1-SG 3.32Å; F242-C403 HydrophobicContact CD1-CB 3.94Å; F242-C403 HydrophobicContact CD2-CB 3.78Å; F242-C403 HydrophobicContact CE1-CB 3.7Å; F242-C403 HydrophobicContact CE2-CB 3.55Å; F242-C403 HydrophobicContact CG-CB 3.97Å; F242-C403 HydrophobicContact CZ-CB 3.51Å; V340-C403 PolarHBondContact O-N 3.43Å; I341-C403 CarbonylContact C-O 3.57Å; I341-C403 WeakPolarHBondContact CA-O 3.35Å; I342-C403 PolarHBondContact N-O 3.33Å
404I88Confident73.8Confident0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-114.2129.5-177-56.2170.1000110.4I258 G261 I262 I342 F381 L423 F424I258-I404 HydrophobicContact CG2-CD1 4.45Å; G261-I404 CarbonylContact C-O 3.6Å; G261-I404 WeakPolarHBondContact CA-O 3.06Å; I262-I404 PolarHBondContact N-O 3.36Å; I262-I404 VanDerWaalsContact N-O 3.08Å; I342-I404 HydrophobicContact CB-CG1 4.23Å; I342-I404 CarbonylContact O-C 3.58Å; I342-I404 WeakPolarHBondContact O-CA 3.13Å; F381-I404 HydrophobicContact CE1-CD1 4.06Å; I404-L423 HydrophobicContact CB-CD2 4.37Å; I404-L423 HydrophobicContact CD1-CD1 3.64Å; I404-L423 HydrophobicContact CD1-CD2 3.73Å; I404-L423 HydrophobicContact CD1-CG 3.84Å; I404-L423 HydrophobicContact CG2-CD2 4.11Å; I404-F424 HydrophobicContact CG2-CE1 3.94Å; I404-F424 HydrophobicContact CG2-CZ 4.28Å
405L89.7Confident75.4Confident2 Ų235.7 Ų35.71%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-118.3114.7171.4-62.6178.4000109.1I235 Y238 L239 I262 L276 I341 I342 L343 W344I235-L405 HydrophobicContact CG2-CD1 4.25Å; Y238-L405 HydrophobicContact CE1-CD2 4.39Å; L239-L405 HydrophobicContact CD1-CD1 4.47Å; L239-L405 HydrophobicContact CD2-CD1 4.36Å; I262-L405 HydrophobicContact CB-CD2 3.93Å; I262-L405 WeakPolarHBondContact O-CA 3.36Å; L276-L405 HydrophobicContact CD1-CB 4.27Å; L276-L405 HydrophobicContact CD2-CB 4.01Å; L276-L405 HydrophobicContact CD2-CD1 4.13Å; I341-L405 HydrophobicContact CG2-CD1 4.02Å; I341-L405 HydrophobicContact CG2-CG 4.31Å; I342-L405 PolarHBondContact O-N 3.37Å; L343-L405 CarbonylContact C-O 3.55Å; L343-L405 WeakPolarHBondContact CA-O 3.08Å; L343-L405 HydrophobicContact CD2-CB 3.98Å; L343-L405 HydrophobicContact CD2-CD1 4.04Å; W344-L405 PolarHBondContact N-O 2.96Å
406A90.6Very high76.7Confident1 Ų134.4 Ų34.41%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-112.1158.1-177.700000113I262 I263 L264 W344 I347 F424I262-A406 PolarHBondContact O-N 2.96Å; I263-A406 WeakPolarHBondContact CA-O 3.39Å; I263-A406 HydrophobicContact CB-CB 4.43Å; I263-A406 HydrophobicContact CD1-CB 4.33Å; I263-A406 HydrophobicContact CG1-CB 4.03Å; L264-A406 PolarHBondContact N-O 3.21Å; W344-A406 HydrophobicContact CB-CB 3.97Å; W344-A406 CarbonylContact O-C 3.55Å; W344-A406 VanDerWaalsContact O-CA 3.24Å; W344-A406 WeakPolarHBondContact O-CA 3.39Å; I347-A406 HydrophobicContact CG2-CB 4.49Å; A406-F424 HydrophobicContact CB-CD1 4.48Å; A406-F424 HydrophobicContact CB-CE1 3.39Å; A406-F424 HydrophobicContact CB-CE2 4.29Å; A406-F424 HydrophobicContact CB-CZ 3.27Å
407T90.4Very high78.2Confident0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans-122.1143.9167.854.90000111.4L264 K272 L276 W344 P345 N346 I347L264-T407 HydrophobicContact CB-CG2 4.1Å; L264-T407 HydrophobicContact CD1-CG2 4.49Å; L264-T407 CarbonylContact O-C 3.57Å; L264-T407 WeakPolarHBondContact O-CA 3.42Å; K272-T407 HydrophobicContact CB-CG2 3.81Å; L276-T407 HydrophobicContact CD1-CG2 3.57Å; L276-T407 HydrophobicContact CG-CG2 4Å; W344-T407 PolarHBondContact O-N 3.4Å; P345-T407 VanDerWaalsContact CA-OG1 3.3Å; P345-T407 WeakPolarHBondContact CA-OG1 3.35Å; N346-T407 CarbonylContact C-O 3.59Å; N346-T407 WeakPolarHBondContact CA-O 3.27Å; N346-T407 PolarHBondContact N-O 3.41Å; N346-T407 PolarHBondContact N-OG1 2.85Å; I347-T407 PolarHBondContact N-O 3.37Å
408A86.5Confident79.4Confident0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-143.7154.6176.100000112.3I263 L264 Y265 G266 K272 I347 D348 T410 V414I263-A408 HydrophobicContact CD1-CB 4.01Å; I263-A408 HydrophobicContact CG1-CB 4.44Å; L264-A408 PolarHBondContact O-N 2.91Å; Y265-A408 VanDerWaalsContact CA-O 3.22Å; Y265-A408 WeakPolarHBondContact CA-O 3.37Å; G266-A408 PolarHBondContact N-O 3.14Å; K272-A408 WeakPolarHBondContact CE-O 3.44Å; I347-A408 HydrophobicContact CG2-CB 3.92Å; D348-A408 HydrophobicContact CB-CB 4.25Å; A408-T410 WeakPolarHBondContact CB-O 3.45Å; A408-V414 HydrophobicContact CB-CG2 4.4Å
409T78.9Confident80.4Confident37 Ų3728.7 Ų28.723%0.22715%0.15CC..SBendtrans-81-38.9167.769.30000112.3G266 P268 D348G266-T409 WeakPolarHBondContact O-CA 3.22Å; P268-T409 HydrophobicContact CB-CG2 4.25Å; D348-T409 VanDerWaalsContact CG-N 3.32Å; D348-T409 PolarHBondContact OD1-N 3.36Å; D348-T409 WeakPolarHBondContact OD2-CA 3.36Å; D348-T409 WeakPolarHBondContact OD2-CB 3.37Å; D348-T409 WeakPolarHBondContact OD2-CG2 3.46Å; D348-T409 PolarHBondContact OD2-N 2.82Å; D348-T409 PolarHBondContact OD2-OG1 3.31Å
410T75.5Confident81.2Confident30 Ų3025.9 Ų25.918%0.18413%0.133CC..  trans-132.5146.5176.658.50000109.5A408A408-T410 WeakPolarHBondContact CB-O 3.45Å
411I75.7Confident81.5Confident10 Ų1031.1 Ų31.15%0.05115%0.153CC..SBendtrans-96.2-23.8-178.850.7168.7000112.8Y265 K413 V414 F415Y265-I411 VanDerWaalsContact CB-CG2 3.47Å; Y265-I411 HydrophobicContact CD1-CG2 3.63Å; Y265-I411 HydrophobicContact CD2-CB 4.45Å; Y265-I411 HydrophobicContact CD2-CD1 4.36Å; Y265-I411 HydrophobicContact CD2-CG1 4.12Å; Y265-I411 HydrophobicContact CD2-CG2 3.65Å; Y265-I411 HydrophobicContact CE1-CD1 4.26Å; Y265-I411 HydrophobicContact CE1-CG2 4.24Å; Y265-I411 HydrophobicContact CE2-CD1 3.87Å; Y265-I411 HydrophobicContact CE2-CG1 4.03Å; Y265-I411 HydrophobicContact CE2-CG2 4.24Å; Y265-I411 HydrophobicContact CG-CG2 3.29Å; I411-K413 VanDerWaalsContact C-N 3.34Å; I411-K413 PolarHBondContact O-N 3.25Å; I411-V414 WeakPolarHBondContact O-CA 3.26Å; I411-V414 WeakPolarHBondContact O-CB 3.44Å; I411-V414 PolarHBondContact O-N 2.85Å; I411-F415 HydrophobicContact CB-CD2 3.91Å; I411-F415 HydrophobicContact CB-CE2 4.21Å; I411-F415 HydrophobicContact CG2-CD2 4.41Å; I411-F415 HydrophobicContact CG2-CE2 4.22Å; I411-F415 WeakPolarHBondContact O-CD2 3.46Å; I411-F415 PolarHBondContact O-N 3.25Å
412D73.2Confident81.6Confident59 Ų5936 Ų3632%0.31618%0.177SC..Hα-helixtrans-61.4-44.1-167.2-48.6-46.8000111.6V414 F415 S416 R652D412-V414 PolarHBondContact O-N 3.07Å; D412-F415 PolarHBondContact O-N 3.49Å; D412-S416 PolarHBondContact O-N 2.98Å; D412-R652 IonicContact OD2-NE 2.87Å
413K73.1Confident81.7Confident43 Ų4336.4 Ų36.419%0.18718%0.179CC..Hα-helixtrans-63.2-41.9174.1-71-162.7172.1-159.60112.6I351 D352 E355 I411 S416I351-K413 HydrophobicContact CG2-CB 4.42Å; D352-K413 VanDerWaalsContact OD1-CD 3.25Å; D352-K413 WeakPolarHBondContact OD1-CD 3.33Å; D352-K413 WeakPolarHBondContact OD1-CE 3.11Å; D352-K413 IonicContact OD1-NZ 2.59Å; D352-K413 PolarHBondContact OD1-NZ 3.46Å; E355-K413 IonicContact OE1-NZ 3.96Å; E355-K413 IonicContact OE2-NZ 2.7Å; E355-K413 PolarHBondContact OE2-NZ 3.39Å; I411-K413 VanDerWaalsContact C-N 3.34Å; I411-K413 PolarHBondContact O-N 3.25Å; K413-S416 PolarHBondContact O-N 3.1Å; K413-S416 PolarHBondContact O-OG 3.27Å
414V79.4Confident81.8Confident0 Ų036.6 Ų36.60%018%0.18CC..Hα-helixtrans-64.4-45-179.9-176.30000110.5I263 I347 D348 I351 A408 I411 D412 S416 I417 C420 F424I263-V414 HydrophobicContact CD1-CG1 4.08Å; I347-V414 HydrophobicContact CD1-CG1 4.17Å; I347-V414 HydrophobicContact CG2-CG1 4.21Å; I347-V414 HydrophobicContact CG2-CG2 3.82Å; D348-V414 HydrophobicContact CB-CG2 4.34Å; I351-V414 HydrophobicContact CD1-CB 4.09Å; I351-V414 HydrophobicContact CD1-CG1 4.5Å; I351-V414 HydrophobicContact CD1-CG2 3.75Å; A408-V414 HydrophobicContact CB-CG2 4.4Å; I411-V414 WeakPolarHBondContact O-CA 3.26Å; I411-V414 WeakPolarHBondContact O-CB 3.44Å; I411-V414 PolarHBondContact O-N 2.85Å; D412-V414 PolarHBondContact O-N 3.07Å; V414-S416 VanDerWaalsContact C-N 3.34Å; V414-S416 PolarHBondContact O-N 3.09Å; V414-I417 WeakPolarHBondContact O-CB 3.42Å; V414-I417 PolarHBondContact O-N 3.22Å; V414-C420 HydrophobicContact CG1-CB 3.92Å; V414-C420 WeakPolarHBondContact O-CB 3.48Å; V414-F424 HydrophobicContact CG1-CE2 4.48Å
415F80.3Confident81.5Confident46 Ų4642 Ų4220%0.20220%0.201CC..Hα-helixtrans-84.2-7.3-177.2-77.6-108.2000113.6I263 I411 D412 I417 R421 F424I263-F415 HydrophobicContact CD1-CE2 4.31Å; I263-F415 HydrophobicContact CG2-CE2 3.9Å; I263-F415 HydrophobicContact CG2-CZ 3.91Å; I411-F415 HydrophobicContact CB-CD2 3.91Å; I411-F415 HydrophobicContact CB-CE2 4.21Å; I411-F415 HydrophobicContact CG2-CD2 4.41Å; I411-F415 HydrophobicContact CG2-CE2 4.22Å; I411-F415 WeakPolarHBondContact O-CD2 3.46Å; I411-F415 PolarHBondContact O-N 3.25Å; D412-F415 PolarHBondContact O-N 3.49Å; F415-I417 PolarHBondContact O-N 2.95Å; F415-R421 HydrophobicContact CB-CG 4.15Å; F415-R421 HydrophobicContact CD1-CB 4.5Å; F415-R421 HydrophobicContact CD1-CG 3.75Å; F415-R421 HydrophobicContact CG-CG 4.3Å; F415-R421 WeakPolarHBondContact O-CD 3.14Å; F415-R421 WeakPolarHBondContact O-CG 3.4Å; F415-R421 PolarHBondContact O-NE 2.95Å; F415-F424 HydrophobicContact CZ-CB 3.97Å
416S76.7Confident81.3Confident79 Ų7946.8 Ų46.855%0.55222%0.219SC*.Hα-helixtrans-62.6-26.7165.776.50000111.7D412 K413 V414D412-S416 PolarHBondContact O-N 2.98Å; K413-S416 PolarHBondContact O-N 3.1Å; K413-S416 PolarHBondContact O-OG 3.27Å; V414-S416 VanDerWaalsContact C-N 3.34Å; V414-S416 PolarHBondContact O-N 3.09Å
417I81.7Confident81Confident17 Ų1750.6 Ų50.69%0.08723%0.233CC..SBendtrans-84.6129.6178.3-57.2178.3000108.9I351 F374 L378 V414 F415 E419 C420 R421I351-I417 HydrophobicContact CD1-CD1 3.85Å; I351-I417 HydrophobicContact CG1-CD1 4.11Å; I351-I417 HydrophobicContact CG2-CD1 4.48Å; F374-I417 HydrophobicContact CD1-CD1 3.51Å; F374-I417 HydrophobicContact CE1-CD1 3.71Å; L378-I417 HydrophobicContact CD2-CG2 4.31Å; V414-I417 WeakPolarHBondContact O-CB 3.42Å; V414-I417 PolarHBondContact O-N 3.22Å; F415-I417 PolarHBondContact O-N 2.95Å; I417-E419 HydrophobicContact CG2-CB 4.37Å; I417-E419 WeakPolarHBondContact CG2-OE2 3.36Å; I417-C420 HydrophobicContact CB-CB 4.23Å; I417-C420 HydrophobicContact CG2-CB 4.47Å; I417-C420 PolarHBondContact O-N 2.86Å; I417-R421 PolarHBondContact O-N 3.27Å
418H81.8Confident80.8Confident93 Ų9351.8 Ų51.843%0.43124%0.24SC..Hα-helixtrans-63.7-47.3-175.5-179.7-89.7000111.8C420 R421 E422H418-C420 VanDerWaalsContact C-N 3.27Å; H418-C420 PolarHBondContact O-N 3.49Å; H418-R421 WeakPolarHBondContact O-CB 3.37Å; H418-R421 PolarHBondContact O-N 2.94Å; H418-E422 IonicContact CE1-OE1 3.56Å; H418-E422 PolarHBondContact CE1-OE1 3.31Å; H418-E422 PolarHBondContact O-N 3.42Å
419E81.5Confident80.6Confident67 Ų6753.7 Ų53.731%0.31325%0.25SC..Hα-helixtrans-60.5-37.7-177.4-59.576.3-167.200111.1L378 I382 I417 R421 E422 L423L378-E419 HydrophobicContact CD2-CB 3.49Å; L378-E419 VanDerWaalsContact CD2-CB 3.49Å; L378-E419 HydrophobicContact CD2-CG 4.46Å; L378-E419 HydrophobicContact CG-CB 4.2Å; I382-E419 HydrophobicContact CD1-CB 4.4Å; I417-E419 HydrophobicContact CG2-CB 4.37Å; I417-E419 WeakPolarHBondContact CG2-OE2 3.36Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 PolarHBondContact O-N 3.23Å; E419-E422 PolarHBondContact O-N 3.33Å; E419-L423 VanDerWaalsContact O-CB 3.26Å; E419-L423 WeakPolarHBondContact O-CB 3.5Å; E419-L423 PolarHBondContact O-N 2.92Å
420C83.2Confident80.9Confident0 Ų052 Ų520%024%0.239CC..Hα-helixtrans-66.8-31.1175.2-69.80000113.2L378 V414 I417 H418 L423 F424L378-C420 VanDerWaalsContact CD2-SG 3.55Å; V414-C420 HydrophobicContact CG1-CB 3.92Å; V414-C420 WeakPolarHBondContact O-CB 3.48Å; I417-C420 HydrophobicContact CB-CB 4.23Å; I417-C420 HydrophobicContact CG2-CB 4.47Å; I417-C420 PolarHBondContact O-N 2.86Å; H418-C420 VanDerWaalsContact C-N 3.27Å; H418-C420 PolarHBondContact O-N 3.49Å; C420-L423 PolarHBondContact O-N 3.18Å; C420-F424 VanDerWaalsContact O-CD2 3.31Å; C420-F424 WeakPolarHBondContact O-CD2 3.22Å; C420-F424 PolarHBondContact O-N 2.9Å; C420-F424 VanDerWaalsContact O-N 3.13Å
421R81.3Confident81.3Confident132 Ų13253.4 Ų53.450%0.49825%0.25SS..Hα-helixtrans-68.9-37.2176.9-68.6-176-82.6-179.7-3.4111.7F415 I417 H418 E419F415-R421 HydrophobicContact CB-CG 4.15Å; F415-R421 HydrophobicContact CD1-CB 4.5Å; F415-R421 HydrophobicContact CD1-CG 3.75Å; F415-R421 HydrophobicContact CG-CG 4.3Å; F415-R421 WeakPolarHBondContact O-CD 3.14Å; F415-R421 WeakPolarHBondContact O-CG 3.4Å; F415-R421 PolarHBondContact O-NE 2.95Å; I417-R421 PolarHBondContact O-N 3.27Å; H418-R421 WeakPolarHBondContact O-CB 3.37Å; H418-R421 PolarHBondContact O-N 2.94Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 PolarHBondContact O-N 3.23Å
422E80.3Confident81.6Confident139 Ų13953.7 Ų53.765%0.6525%0.252SS*.Hα-helixtrans-74.8-34.9174.6-62-155.4150.300111.8H418 E419 F424H418-E422 IonicContact CE1-OE1 3.56Å; H418-E422 PolarHBondContact CE1-OE1 3.31Å; H418-E422 PolarHBondContact O-N 3.42Å; E419-E422 PolarHBondContact O-N 3.33Å; E422-F424 PolarHBondContact O-N 3.45Å
423L83.5Confident82.1Confident9 Ų951.3 Ų51.35%0.04724%0.24CC..Hα-helixtrans-70.2-30.7-178.4-162.4116.1000113.2P260 G261 L378 I382 I404 E419 C420P260-L423 CarbonylContact C-O 3.51Å; G261-L423 PolarHBondContact N-O 3.32Å; L378-L423 HydrophobicContact CD1-CD1 4.46Å; I382-L423 HydrophobicContact CD1-CD1 4.02Å; I382-L423 HydrophobicContact CG1-CD1 4.07Å; I404-L423 HydrophobicContact CB-CD2 4.37Å; I404-L423 HydrophobicContact CD1-CD1 3.64Å; I404-L423 HydrophobicContact CD1-CD2 3.73Å; I404-L423 HydrophobicContact CD1-CG 3.84Å; I404-L423 HydrophobicContact CG2-CD2 4.11Å; E419-L423 VanDerWaalsContact O-CB 3.26Å; E419-L423 WeakPolarHBondContact O-CB 3.5Å; E419-L423 PolarHBondContact O-N 2.92Å; C420-L423 PolarHBondContact O-N 3.18Å
424F86.8Confident82.3Confident4 Ų452.8 Ų52.82%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-119.3100.5-178.8-59-67.5000112G261 I263 I347 I404 A406 V414 F415 C420 E422 R426G261-F424 WeakPolarHBondContact O-CA 3.1Å; I263-F424 HydrophobicContact CB-CB 4.4Å; I263-F424 HydrophobicContact CB-CD1 3.93Å; I263-F424 HydrophobicContact CB-CD2 4.41Å; I263-F424 HydrophobicContact CB-CE1 4.3Å; I263-F424 HydrophobicContact CB-CG 4Å; I263-F424 HydrophobicContact CD1-CD2 4.32Å; I263-F424 HydrophobicContact CD1-CE2 4.26Å; I263-F424 HydrophobicContact CG2-CB 4.16Å; I263-F424 HydrophobicContact CG2-CG 4.27Å; I347-F424 HydrophobicContact CD1-CE2 3.87Å; I347-F424 HydrophobicContact CD1-CZ 4.08Å; I404-F424 HydrophobicContact CG2-CE1 3.94Å; I404-F424 HydrophobicContact CG2-CZ 4.28Å; A406-F424 HydrophobicContact CB-CD1 4.48Å; A406-F424 HydrophobicContact CB-CE1 3.39Å; A406-F424 HydrophobicContact CB-CE2 4.29Å; A406-F424 HydrophobicContact CB-CZ 3.27Å; V414-F424 HydrophobicContact CG1-CE2 4.48Å; F415-F424 HydrophobicContact CZ-CB 3.97Å; C420-F424 VanDerWaalsContact O-CD2 3.31Å; C420-F424 WeakPolarHBondContact O-CD2 3.22Å; C420-F424 PolarHBondContact O-N 2.9Å; C420-F424 VanDerWaalsContact O-N 3.13Å; E422-F424 PolarHBondContact O-N 3.45Å; F424-R426 VanDerWaalsContact C-N 3.33Å; F424-R426 PolarHBondContact O-N 2.88Å
425Y82.1Confident82.3Confident113 Ų11354.9 Ų54.944%0.44327%0.267SS..EExtended strand (participates in β ladder)trans-71.3-29.9176.983.9-74.1000112.8Y238 P260 G261 I262Y238-Y425 HydrophobicContact CD2-CE1 4.02Å; Y238-Y425 WeakPolarHBondContact CD2-OH 3.39Å; Y238-Y425 AromaticContact CE2-CE1 3.58Å; Y238-Y425 HydrophobicContact CE2-CE1 3.58Å; P260-Y425 HydrophobicContact CB-CD1 4.03Å; P260-Y425 HydrophobicContact CB-CG 4.3Å; P260-Y425 HydrophobicContact CG-CD1 4.07Å; P260-Y425 HydrophobicContact CG-CG 4.28Å; P260-Y425 WeakPolarHBondContact O-CD1 3.32Å; G261-Y425 VanDerWaalsContact O-CD1 3.31Å; G261-Y425 WeakPolarHBondContact O-CD1 3.34Å; G261-Y425 PolarHBondContact O-N 2.96Å; I262-Y425 HydrophobicContact CD1-CE1 4.39Å; I262-Y425 HydrophobicContact CG1-CE1 3.81Å
426R84.7Confident82.4Confident104 Ų10456.7 Ų56.739%0.39229%0.285SS..EExtended strand (participates in β ladder)trans-128.8134.2-173-164.8169.1-170.6170.91.5112I262 I263 F424 L428I262-R426 WeakPolarHBondContact CA-O 3.4Å; I262-R426 HydrophobicContact CG1-CB 4.31Å; I263-R426 PolarHBondContact N-O 3.19Å; F424-R426 VanDerWaalsContact C-N 3.33Å; F424-R426 PolarHBondContact O-N 2.88Å; R426-L428 HydrophobicContact CG-CD2 4.27Å
427R85.1Confident82.8Confident80 Ų8055.2 Ų55.230%0.30227%0.269SS..EExtended strand (participates in β ladder)trans-111131.1174.163.8-173.7-178.1-174.8-0.5109.5I263 Y265I263-R427 HydrophobicContact CG2-CB 3.87Å; I263-R427 WeakPolarHBondContact O-CA 3.18Å; Y265-R427 HydrophobicContact CD1-CB 4.13Å; Y265-R427 HydrophobicContact CE1-CB 3.78Å; Y265-R427 HydrophobicContact CE1-CG 4.08Å
428L85.7Confident83.1Confident25 Ų2555.4 Ų55.413%0.13127%0.268CS..EExtended strand (participates in β ladder)trans-119.6115.2176.4-61.3178.1000108.9V231 V234 I235 I262 I263 L264 Y265 R426V231-L428 HydrophobicContact CG1-CD1 4.34Å; V234-L428 HydrophobicContact CG1-CD1 3.97Å; V234-L428 HydrophobicContact CG1-CD2 4.43Å; I235-L428 HydrophobicContact CD1-CD1 4.33Å; I235-L428 HydrophobicContact CG1-CD1 4.18Å; I262-L428 HydrophobicContact CG2-CD1 3.75Å; I262-L428 HydrophobicContact CG2-CG 3.94Å; I263-L428 PolarHBondContact O-N 2.79Å; L264-L428 WeakPolarHBondContact CA-O 3.45Å; L264-L428 HydrophobicContact CD2-CB 3.69Å; L264-L428 HydrophobicContact CD2-CD1 3.92Å; L264-L428 HydrophobicContact CD2-CG 4.35Å; Y265-L428 WeakPolarHBondContact CD1-O 3.22Å; Y265-L428 PolarHBondContact N-O 3.25Å; R426-L428 HydrophobicContact CG-CD2 4.27Å
429L82.9Confident83.4Confident40 Ų4052.8 Ų52.821%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-77.4120.2173.4176.663.3000109.2Y265 S431 R659Y265-L429 HydrophobicContact CD2-CD1 3.94Å; Y265-L429 HydrophobicContact CE1-CB 3.89Å; Y265-L429 HydrophobicContact CE2-CB 4.22Å; Y265-L429 HydrophobicContact CE2-CD1 3.65Å; Y265-L429 HydrophobicContact CE2-CG 4.44Å; Y265-L429 CarbonylContact O-C 3.6Å; Y265-L429 WeakPolarHBondContact O-CA 3.33Å; L429-S431 PolarHBondContact O-N 3.15Å; L429-R659 HydrophobicContact CD2-CB 3.71Å
430I85.2Confident83.5Confident3 Ų353.9 Ų53.92%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-84110169.1-69.7172.1000108.1L228 L264 Y265 C270 K272L228-I430 HydrophobicContact CD2-CD1 4.32Å; L228-I430 HydrophobicContact CD2-CG1 4.08Å; L228-I430 HydrophobicContact CD2-CG2 3.84Å; L264-I430 HydrophobicContact CB-CD1 3.98Å; L264-I430 HydrophobicContact CD1-CD1 4.14Å; L264-I430 HydrophobicContact CD2-CD1 4.26Å; L264-I430 HydrophobicContact CG-CD1 4.36Å; Y265-I430 PolarHBondContact O-N 2.93Å; C270-I430 HydrophobicContact CB-CG2 3.66Å; K272-I430 HydrophobicContact CB-CD1 3.88Å; K272-I430 HydrophobicContact CD-CB 4.5Å; K272-I430 HydrophobicContact CD-CD1 4.07Å; K272-I430 HydrophobicContact CG-CB 4.37Å; K272-I430 HydrophobicContact CG-CD1 3.55Å
431S82.4Confident83.6Confident59 Ų5953.9 Ų53.941%0.41326%0.26SS..PPolyproline II helixtrans-73.9163.5177.264.90000111.8L429 A660L429-S431 PolarHBondContact O-N 3.15Å; S431-A660 CarbonylContact C-O 3.58Å; S431-A660 WeakPolarHBondContact CA-O 3.47Å; S431-A660 VanDerWaalsContact CB-O 3.25Å; S431-A660 WeakPolarHBondContact CB-O 3.39Å
432L83.1Confident83.9Confident15 Ų1547.6 Ų47.68%0.07924%0.236CC..PPolyproline II helixtrans-68.3154.5167.5-74.9163.4000110.3L267 D434 T493 A660 S661L267-L432 HydrophobicContact CD1-CD1 3.65Å; L267-L432 HydrophobicContact CD1-CD2 3.94Å; L267-L432 HydrophobicContact CD1-CG 3.8Å; L432-D434 PolarHBondContact O-N 3.22Å; L432-T493 HydrophobicContact CD2-CG2 3.68Å; L432-A660 HydrophobicContact CD1-CB 4.44Å; L432-A660 HydrophobicContact CG-CB 4.29Å; L432-A660 PolarHBondContact N-O 3.32Å; L432-S661 VanDerWaalsContact CD1-OG 3.27Å; L432-S661 WeakPolarHBondContact CD1-OG 3.49Å
433P82.7Confident84.1Confident10 Ų1043 Ų437%0.06521%0.213CC..PPolyproline II helixtrans-67133.2176.427.4-34000110.7K437 R438 I441 P494 L497P433-K437 HydrophobicContact CB-CB 3.76Å; P433-R438 HydrophobicContact CB-CG 3.82Å; P433-R438 HydrophobicContact CG-CG 3.72Å; P433-R438 PolarHBondContact O-NH1 3.34Å; P433-I441 HydrophobicContact CB-CD1 4.13Å; P433-I441 HydrophobicContact CG-CD1 4.39Å; P433-P494 HydrophobicContact CG-CG 4.23Å; P433-L497 HydrophobicContact CG-CD1 4.34Å
434D78.8Confident84.1Confident74 Ų7445.3 Ų45.340%0.39622%0.224SC..PPolyproline II helixtrans-67.8174168.36041.4000111.4L432 S436 K437 R438L432-D434 PolarHBondContact O-N 3.22Å; D434-S436 VanDerWaalsContact C-N 3.29Å; D434-S436 PolarHBondContact O-N 3.34Å; D434-S436 PolarHBondContact OD1-N 3.1Å; D434-K437 PolarHBondContact O-N 2.61Å; D434-K437 VanDerWaalsContact OD1-CB 3.31Å; D434-K437 WeakPolarHBondContact OD1-CB 3.14Å; D434-K437 WeakPolarHBondContact OD1-CG 3.45Å; D434-K437 PolarHBondContact OD1-N 3.4Å; D434-K437 WeakPolarHBondContact OD2-CD 3.39Å; D434-K437 VanDerWaalsContact OD2-CE 3.23Å; D434-K437 WeakPolarHBondContact OD2-CE 3.48Å; D434-K437 IonicContact OD2-NZ 3.73Å; D434-R438 WeakPolarHBondContact O-CB 3.29Å; D434-R438 VanDerWaalsContact O-CG 3.26Å; D434-R438 WeakPolarHBondContact O-CG 3.48Å; D434-R438 PolarHBondContact O-N 2.98Å
435A79Confident83.7Confident43 Ų4345.1 Ų45.136%0.35522%0.223SC..Hα-helixtrans-58.3-40.3-176.500000112.9R438 Y439A435-R438 PolarHBondContact O-N 2.63Å; A435-Y439 PolarHBondContact O-N 2.93Å
436S82.6Confident83.7Confident84 Ų8440 Ų4059%0.58720%0.203SC*.Hα-helixtrans-66.5-44179-55.50000111.9D434 Y439 Q440D434-S436 VanDerWaalsContact C-N 3.29Å; D434-S436 PolarHBondContact O-N 3.34Å; D434-S436 PolarHBondContact OD1-N 3.1Å; S436-Y439 WeakPolarHBondContact O-CB 3.06Å; S436-Y439 PolarHBondContact O-N 3.14Å; S436-Q440 WeakPolarHBondContact O-CG 3.28Å; S436-Q440 PolarHBondContact O-N 3.12Å
437K84.2Confident83.2Confident48 Ų4839 Ų3921%0.20920%0.203CC..Hα-helixtrans-64.9-40.1174.7-70169.2-174.8-169.80111.3G227 P433 D434 Y439 Q440 I441G227-K437 VanDerWaalsContact CA-CE 3.48Å; G227-K437 PolarHBondContact O-NZ 3.41Å; P433-K437 HydrophobicContact CB-CB 3.76Å; D434-K437 PolarHBondContact O-N 2.61Å; D434-K437 VanDerWaalsContact OD1-CB 3.31Å; D434-K437 WeakPolarHBondContact OD1-CB 3.14Å; D434-K437 WeakPolarHBondContact OD1-CG 3.45Å; D434-K437 PolarHBondContact OD1-N 3.4Å; D434-K437 WeakPolarHBondContact OD2-CD 3.39Å; D434-K437 VanDerWaalsContact OD2-CE 3.23Å; D434-K437 WeakPolarHBondContact OD2-CE 3.48Å; D434-K437 IonicContact OD2-NZ 3.73Å; K437-Y439 VanDerWaalsContact C-N 3.33Å; K437-Q440 PolarHBondContact O-N 2.93Å; K437-I441 WeakPolarHBondContact O-CD1 3.23Å; K437-I441 VanDerWaalsContact O-CG1 3.25Å; K437-I441 WeakPolarHBondContact O-CG1 3.18Å; K437-I441 PolarHBondContact O-N 2.8Å
438R88.1Confident82.6Confident21 Ų2136.3 Ų36.38%0.07920%0.195CC..Hα-helixtrans-61.6-43.2174-69.9-165.5-60.7-96.97.5111.2P433 D434 A435 I441 L442 A486 L489 L497P433-R438 HydrophobicContact CB-CG 3.82Å; P433-R438 HydrophobicContact CG-CG 3.72Å; P433-R438 PolarHBondContact O-NH1 3.34Å; D434-R438 WeakPolarHBondContact O-CB 3.29Å; D434-R438 VanDerWaalsContact O-CG 3.26Å; D434-R438 WeakPolarHBondContact O-CG 3.48Å; D434-R438 PolarHBondContact O-N 2.98Å; A435-R438 PolarHBondContact O-N 2.63Å; R438-I441 PolarHBondContact O-N 3.17Å; R438-L442 WeakPolarHBondContact O-CB 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.27Å; R438-L442 PolarHBondContact O-N 3.16Å; R438-A486 HydrophobicContact CB-CB 4.23Å; R438-A486 VanDerWaalsContact CZ-O 3.31Å; R438-A486 PolarHBondContact NE-O 3.18Å; R438-A486 PolarHBondContact NH2-O 3.38Å; R438-L489 WeakPolarHBondContact CD-O 3.29Å; R438-L489 PolarHBondContact NE-O 2.93Å; R438-L497 HydrophobicContact CB-CD1 4.07Å; R438-L497 HydrophobicContact CG-CD1 3.75Å
439Y87.4Confident81.7Confident39 Ų3935.7 Ų35.715%0.15319%0.193CC..Hα-helixtrans-57.4-49.2173.7169.9-91.2000111.2A435 S436 K437 I441 L442 Y443 L482 I483A435-Y439 PolarHBondContact O-N 2.93Å; S436-Y439 WeakPolarHBondContact O-CB 3.06Å; S436-Y439 PolarHBondContact O-N 3.14Å; K437-Y439 VanDerWaalsContact C-N 3.33Å; Y439-I441 PolarHBondContact O-N 2.81Å; Y439-L442 PolarHBondContact O-N 3.05Å; Y439-Y443 WeakPolarHBondContact O-CB 3.49Å; Y439-Y443 PolarHBondContact O-N 3.39Å; Y439-L482 HydrophobicContact CD2-CB 4.24Å; Y439-L482 HydrophobicContact CD2-CD2 3.91Å; Y439-L482 HydrophobicContact CD2-CG 3.85Å; Y439-L482 HydrophobicContact CE2-CB 4.05Å; Y439-L482 HydrophobicContact CE2-CD2 3.7Å; Y439-L482 HydrophobicContact CE2-CG 3.96Å; Y439-I483 HydrophobicContact CD2-CG1 3.66Å; Y439-I483 HydrophobicContact CE2-CD1 4.49Å; Y439-I483 HydrophobicContact CE2-CG1 3.76Å; Y439-I483 HydrophobicContact CG-CG1 4.45Å
440Q85.1Confident81Confident89 Ų8935.2 Ų35.242%0.41619%0.19SC..Hα-helixtrans-60.4-44.8178.4-70.8174.9-8.100112.7F226 S436 K437 H444F226-Q440 HydrophobicContact CD1-CB 4.36Å; F226-Q440 HydrophobicContact CG-CB 4.43Å; S436-Q440 WeakPolarHBondContact O-CG 3.28Å; S436-Q440 PolarHBondContact O-N 3.12Å; K437-Q440 PolarHBondContact O-N 2.93Å; Q440-H444 VanDerWaalsContact O-CB 3.26Å; Q440-H444 WeakPolarHBondContact O-CB 3.32Å; Q440-H444 PolarHBondContact O-N 2.93Å
441I85.3Confident79.9Confident0 Ų037.2 Ų37.20%021%0.205CC..Hα-helixtrans-61.6-49.8176.8-66.5161.6000109.9F226 P433 K437 R438 Y439 N445 P494 L497 V498F226-I441 HydrophobicContact CB-CD1 4.4Å; F226-I441 HydrophobicContact CB-CG1 3.8Å; F226-I441 HydrophobicContact CD2-CG1 3.99Å; F226-I441 HydrophobicContact CG-CG1 4.31Å; P433-I441 HydrophobicContact CB-CD1 4.13Å; P433-I441 HydrophobicContact CG-CD1 4.39Å; K437-I441 WeakPolarHBondContact O-CD1 3.23Å; K437-I441 VanDerWaalsContact O-CG1 3.25Å; K437-I441 WeakPolarHBondContact O-CG1 3.18Å; K437-I441 PolarHBondContact O-N 2.8Å; R438-I441 PolarHBondContact O-N 3.17Å; Y439-I441 PolarHBondContact O-N 2.81Å; I441-N445 WeakPolarHBondContact O-CB 3.4Å; I441-N445 PolarHBondContact O-N 2.94Å; I441-N445 PolarHBondContact O-ND2 3.31Å; I441-P494 HydrophobicContact CD1-CB 4.02Å; I441-P494 HydrophobicContact CD1-CG 4.05Å; I441-L497 HydrophobicContact CB-CD1 4.3Å; I441-L497 HydrophobicContact CD1-CD1 4.2Å; I441-L497 HydrophobicContact CG2-CB 4.04Å; I441-L497 HydrophobicContact CG2-CD1 4.12Å; I441-V498 HydrophobicContact CG2-CG2 4.37Å
442L87.4Confident78.2Confident0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-60.8-51.8179.6-71.3170.8000110.8R438 Y439 H444 N445 I446 L482 V485 A486 L489 L497 V501R438-L442 WeakPolarHBondContact O-CB 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.27Å; R438-L442 PolarHBondContact O-N 3.16Å; Y439-L442 PolarHBondContact O-N 3.05Å; L442-H444 PolarHBondContact O-N 3.41Å; L442-N445 PolarHBondContact O-N 2.9Å; L442-I446 HydrophobicContact CB-CD1 4.31Å; L442-I446 WeakPolarHBondContact O-CB 3.39Å; L442-I446 WeakPolarHBondContact O-CD1 3.17Å; L442-I446 WeakPolarHBondContact O-CG1 3.45Å; L442-I446 PolarHBondContact O-N 3.29Å; L442-L482 HydrophobicContact CB-CD1 4.11Å; L442-L482 HydrophobicContact CD1-CD1 4.29Å; L442-V485 HydrophobicContact CD1-CG1 4.39Å; L442-A486 HydrophobicContact CD1-CB 4.11Å; L442-L489 HydrophobicContact CD1-CD1 3.94Å; L442-L489 HydrophobicContact CD2-CD1 4.44Å; L442-L497 HydrophobicContact CD2-CB 4.21Å; L442-L497 HydrophobicContact CD2-CD2 4.08Å; L442-L497 HydrophobicContact CG-CD2 4.37Å; L442-V501 HydrophobicContact CD2-CG2 3.47Å; L442-V501 VanDerWaalsContact CD2-CG2 3.47Å
443Y84.9Confident76.5Confident44 Ų4438.6 Ų38.617%0.17321%0.212CC..Hα-helixtrans-56.6-50.2-178.6178.5-92.4000111.8Y439 N445 I446 Q447 I475 L482Y439-Y443 WeakPolarHBondContact O-CB 3.49Å; Y439-Y443 PolarHBondContact O-N 3.39Å; Y443-N445 PolarHBondContact O-N 3.28Å; Y443-I446 PolarHBondContact O-N 2.94Å; Y443-Q447 WeakPolarHBondContact O-CB 3.4Å; Y443-Q447 PolarHBondContact O-N 3.16Å; Y443-I475 HydrophobicContact CE2-CD1 3.89Å; Y443-I475 HydrophobicContact CE2-CG2 4.3Å; Y443-I475 WeakPolarHBondContact OH-CB 3.45Å; Y443-I475 WeakPolarHBondContact OH-CD1 3.41Å; Y443-I475 WeakPolarHBondContact OH-CG1 3.26Å; Y443-L482 HydrophobicContact CD2-CD2 4.08Å
444H82.6Confident74.5Confident57 Ų5741.4 Ų41.426%0.26423%0.229SC..Hα-helixtrans-61.4-47.2179.1179.883.8000111.8S223 F226 Q440 L442 I446 Q447 T448S223-H444 WeakPolarHBondContact CB-CD2 3.38Å; F226-H444 HydrophobicContact CE2-CB 3.79Å; F226-H444 AromaticContact CE2-CG 3.79Å; F226-H444 HydrophobicContact CZ-CB 4.15Å; Q440-H444 VanDerWaalsContact O-CB 3.26Å; Q440-H444 WeakPolarHBondContact O-CB 3.32Å; Q440-H444 PolarHBondContact O-N 2.93Å; L442-H444 PolarHBondContact O-N 3.41Å; H444-I446 PolarHBondContact O-N 3.35Å; H444-Q447 PolarHBondContact O-N 2.9Å; H444-T448 WeakPolarHBondContact O-CG2 3.3Å; H444-T448 PolarHBondContact O-N 2.85Å; H444-T448 PolarHBondContact O-OG1 3.4Å
445N79.4Confident72.3Confident0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-67.7-38.1-179.5-72.4-81.5000111.6S223 I441 L442 Y443 T448 C449 V501S223-N445 PolarHBondContact OG-OD1 2.87Å; I441-N445 WeakPolarHBondContact O-CB 3.4Å; I441-N445 PolarHBondContact O-N 2.94Å; I441-N445 PolarHBondContact O-ND2 3.31Å; L442-N445 PolarHBondContact O-N 2.9Å; Y443-N445 PolarHBondContact O-N 3.28Å; N445-T448 WeakPolarHBondContact CA-OG1 3.41Å; N445-T448 PolarHBondContact O-N 3.06Å; N445-T448 PolarHBondContact O-OG1 3.25Å; N445-C449 PolarHBondContact O-N 2.95Å; N445-C449 PolarHBondContact O-SG 3.33Å; N445-V501 HydrophobicContact CB-CB 4.43Å; N445-V501 HydrophobicContact CB-CG1 4.06Å; N445-V501 HydrophobicContact CB-CG2 4.46Å
446I80.9Confident70Confident4 Ų447.8 Ų47.82%0.02125%0.25CS..Hα-helixtrans-62.5-46.5174.6-68.1165.5000110.6L442 Y443 H444 T448 C449 L450 L482 V501 L529 F532 L536L442-I446 HydrophobicContact CB-CD1 4.31Å; L442-I446 WeakPolarHBondContact O-CB 3.39Å; L442-I446 WeakPolarHBondContact O-CD1 3.17Å; L442-I446 WeakPolarHBondContact O-CG1 3.45Å; L442-I446 PolarHBondContact O-N 3.29Å; Y443-I446 PolarHBondContact O-N 2.94Å; H444-I446 PolarHBondContact O-N 3.35Å; I446-T448 VanDerWaalsContact C-N 3.31Å; I446-T448 PolarHBondContact O-N 3.42Å; I446-C449 PolarHBondContact O-N 3.23Å; I446-L450 HydrophobicContact CG2-CD1 3.62Å; I446-L450 HydrophobicContact CG2-CG 4.17Å; I446-L450 WeakPolarHBondContact O-CB 3.29Å; I446-L450 WeakPolarHBondContact O-CG 3.45Å; I446-L450 PolarHBondContact O-N 3.45Å; I446-L482 HydrophobicContact CD1-CD1 3.8Å; I446-L482 HydrophobicContact CD1-CD2 4.42Å; I446-V501 HydrophobicContact CG1-CG1 3.74Å; I446-V501 HydrophobicContact CG1-CG2 4.04Å; I446-L529 HydrophobicContact CG2-CD2 3.66Å; I446-F532 HydrophobicContact CD1-CD1 4.04Å; I446-F532 HydrophobicContact CD1-CE1 3.78Å; I446-F532 HydrophobicContact CG1-CD1 4.23Å; I446-F532 HydrophobicContact CG1-CE1 3.61Å; I446-F532 HydrophobicContact CG1-CZ 4.19Å; I446-F532 HydrophobicContact CG2-CE1 4.47Å; I446-L536 HydrophobicContact CD1-CD1 4.09Å
447Q74.7Confident67.3Low84 Ų8450.2 Ų50.239%0.39325%0.254SS..Hα-helixtrans-59.2-43.4177-173.1-178.66.700111.2Y443 H444 L450 S451Y443-Q447 WeakPolarHBondContact O-CB 3.4Å; Y443-Q447 PolarHBondContact O-N 3.16Å; H444-Q447 PolarHBondContact O-N 2.9Å; Q447-L450 PolarHBondContact O-N 2.9Å; Q447-S451 VanDerWaalsContact O-CB 3.3Å; Q447-S451 WeakPolarHBondContact O-CB 3.32Å; Q447-S451 PolarHBondContact O-N 3.45Å; Q447-S451 PolarHBondContact O-OG 2.83Å
448T71.5Confident64.5Low24 Ų2452.2 Ų52.215%0.14727%0.274CS..Hα-helixtrans-61.3-48.5175.458.30000111.5H444 N445 I446 L450 S451 H452H444-T448 WeakPolarHBondContact O-CG2 3.3Å; H444-T448 PolarHBondContact O-N 2.85Å; H444-T448 PolarHBondContact O-OG1 3.4Å; N445-T448 WeakPolarHBondContact CA-OG1 3.41Å; N445-T448 PolarHBondContact O-N 3.06Å; N445-T448 PolarHBondContact O-OG1 3.25Å; I446-T448 VanDerWaalsContact C-N 3.31Å; I446-T448 PolarHBondContact O-N 3.42Å; T448-L450 PolarHBondContact O-N 2.78Å; T448-S451 PolarHBondContact O-N 3.37Å; T448-S451 PolarHBondContact O-OG 2.83Å; T448-H452 PolarHBondContact O-CD2 3.46Å; T448-H452 PolarHBondContact O-N 2.87Å
449C68.5Low61.6Low12 Ų1255.8 Ų55.88%0.08130%0.302CS..Hα-helixtrans-59.4-43.8177.6-66.30000112.5N445 I446 H452 G453 Y505N445-C449 PolarHBondContact O-N 2.95Å; N445-C449 PolarHBondContact O-SG 3.33Å; I446-C449 PolarHBondContact O-N 3.23Å; C449-H452 PolarHBondContact O-N 3.41Å; C449-G453 PolarHBondContact O-N 3.27Å; C449-Y505 HydrophobicContact CB-CD1 4.2Å; C449-Y505 HydrophobicContact CB-CD2 3.75Å; C449-Y505 HydrophobicContact CB-CE1 4.41Å; C449-Y505 HydrophobicContact CB-CE2 4Å; C449-Y505 HydrophobicContact CB-CG 3.86Å; C449-Y505 PolarHBondContact O-OH 2.91Å
450L67.8Low58.6Low29 Ų2957.3 Ų57.315%0.15232%0.318CS..Hα-helixtrans-71.6-39.9-178-68.3175.7000112.7I446 Q447 T448 H452 G453 Y505 F525 L529I446-L450 HydrophobicContact CG2-CD1 3.62Å; I446-L450 HydrophobicContact CG2-CG 4.17Å; I446-L450 WeakPolarHBondContact O-CB 3.29Å; I446-L450 WeakPolarHBondContact O-CG 3.45Å; I446-L450 PolarHBondContact O-N 3.45Å; Q447-L450 PolarHBondContact O-N 2.9Å; T448-L450 PolarHBondContact O-N 2.78Å; L450-H452 PolarHBondContact O-N 2.88Å; L450-G453 PolarHBondContact O-N 3.49Å; L450-Y505 HydrophobicContact CD2-CE2 4.26Å; L450-F525 HydrophobicContact CD1-CD2 4.27Å; L450-F525 HydrophobicContact CD1-CE2 3.5Å; L450-F525 VanDerWaalsContact CD1-CE2 3.5Å; L450-F525 HydrophobicContact CD1-CZ 4.15Å; L450-L529 HydrophobicContact CD1-CD2 3.86Å
451S60.7Low55.7Low46 Ų4661.6 Ų61.632%0.32234%0.339SS..Hα-helixtrans-62.8-27177.369.20000113.4Q447 T448 T454Q447-S451 VanDerWaalsContact O-CB 3.3Å; Q447-S451 WeakPolarHBondContact O-CB 3.32Å; Q447-S451 PolarHBondContact O-N 3.45Å; Q447-S451 PolarHBondContact O-OG 2.83Å; T448-S451 PolarHBondContact O-N 3.37Å; T448-S451 PolarHBondContact O-OG 2.83Å; S451-T454 PolarHBondContact O-OG1 3.39Å
452H48.5Very low52.9Low73 Ų7367 Ų6734%0.33838%0.376SS..Hα-helixtrans-79.1-32.6176.8-73.4-57000113.1T448 C449 L450 T454 N455 F456T448-H452 PolarHBondContact O-CD2 3.46Å; T448-H452 PolarHBondContact O-N 2.87Å; C449-H452 PolarHBondContact O-N 3.41Å; L450-H452 PolarHBondContact O-N 2.88Å; H452-T454 PolarHBondContact O-N 2.91Å; H452-N455 PolarHBondContact O-N 3.21Å; H452-F456 PolarHBondContact O-N 3.22Å
453G47.1Very low50Low29 Ų2972.7 Ų72.730%0.29942%0.416SS..Hα-helixtrans-58.6-32.9175.800000112.9C449 L450C449-G453 PolarHBondContact O-N 3.27Å; L450-G453 PolarHBondContact O-N 3.49Å
454T41.1Very low47.2Very low69 Ų6979.6 Ų79.642%0.42345%0.449SS..Hα-helixtrans-77.5-33.4177.6540000113.2S451 H452 I470S451-T454 PolarHBondContact O-OG1 3.39Å; H452-T454 PolarHBondContact O-N 2.91Å; T454-I470 HydrophobicContact CG2-CD1 4.05Å
455N32.1Very low44.3Very low98 Ų9879.8 Ų79.852%0.52447%0.467SS..Hα-helixtrans-74-37.6-178.6-74.5-9.9000112.6H452 M457 S458H452-N455 PolarHBondContact O-N 3.21Å; N455-M457 VanDerWaalsContact C-N 3.34Å; N455-M457 PolarHBondContact O-N 3.18Å; N455-S458 PolarHBondContact O-N 2.92Å; N455-S458 VanDerWaalsContact O-N 3.12Å; N455-S458 PolarHBondContact O-OG 3.12Å
456F29.5Very low41.7Very low153 Ų15385.2 Ų85.267%0.67151%0.505SS*.Hα-helixtrans-68-31.6179.1-108.5-84000113.2H452 S458 S459H452-F456 PolarHBondContact O-N 3.22Å; F456-S458 VanDerWaalsContact C-N 3.27Å; F456-S458 PolarHBondContact O-N 3.44Å; F456-S459 PolarHBondContact O-OG 3.05Å; F456-S459 VanDerWaalsContact O-OG 3.05Å
457M26.6Very low38.9Very low135 Ų13591.8 Ų91.867%0.66554%0.539SS*.Hα-helixtrans-73-18.2173.2-70-114.486.300113.1N455 S460N455-M457 VanDerWaalsContact C-N 3.34Å; N455-M457 PolarHBondContact O-N 3.18Å; M457-S460 PolarHBondContact O-OG 3.26Å
458S26.3Very low36.5Very low90 Ų9093.6 Ų93.663%0.62956%0.555SS**Hα-helixtrans-82.5-16.2-178.8740000114.4N455 F456 S460N455-S458 PolarHBondContact O-N 2.92Å; N455-S458 VanDerWaalsContact O-N 3.12Å; N455-S458 PolarHBondContact O-OG 3.12Å; F456-S458 VanDerWaalsContact C-N 3.27Å; F456-S458 PolarHBondContact O-N 3.44Å; S458-S460 VanDerWaalsContact C-N 3.33Å
459S26Very low34.3Very low97 Ų9798.2 Ų98.268%0.67858%0.579SS**THydrogen-bonded Turntrans-80.7-11.6176.642.30000114F456F456-S459 PolarHBondContact O-OG 3.05Å; F456-S459 VanDerWaalsContact O-OG 3.05Å
460S25.7Very low32.4Very low70 Ų70102.3 Ų102.349%0.4960%0.599SS.*SBendtrans-102.794.4175.555.40000111M457 S458M457-S460 PolarHBondContact O-OG 3.26Å; S458-S460 VanDerWaalsContact C-N 3.33Å
461E24.1Very low30.4Very low180 Ų180107.5 Ų107.584%0.84162%0.623SS**SBendtrans75.6135.3154.3-58-173.6165.700121
462S25.6Very low29Very low112 Ų112109.7 Ų109.778%0.78364%0.638SS**  trans88.5113.9157.576.90000118.6H464S462-H464 PolarHBondContact O-N 3.45Å
463S27.3Very low28.3Very low120 Ų120114.6 Ų114.684%0.83966%0.655SS**SBendtrans-72.420.5-173.443.40000116.4
464H25.2Very low27.7Very low189 Ų189119.8 Ų119.888%0.87568%0.675SS**  trans-142.474.5176.9-81.4-16.4000110.6S462S462-H464 PolarHBondContact O-N 3.45Å
465G22Very low27.7Very low62 Ų62119 Ų11964%0.63967%0.668SS**  trans-150.7103.2175.600000109.4I467G465-I467 PolarHBondContact O-N 3.27Å; G465-I467 VanDerWaalsContact O-N 3.15Å
466S24.2Very low28.3Very low114 Ų114120.1 Ų120.180%0.79768%0.679SS**  trans-33.8115.3171.642.40000112.2V468S466-V468 PolarHBondContact O-N 3.03Å
467I22.9Very low29.4Very low141 Ų141117.9 Ų117.972%0.72367%0.674SS**  trans-44.9106.3171-61.9158.9000107.5G465 N469G465-I467 PolarHBondContact O-N 3.27Å; G465-I467 VanDerWaalsContact O-N 3.15Å; I467-N469 HydrophobicContact CG2-CB 4.3Å; I467-N469 WeakPolarHBondContact CG2-OD1 3.46Å; I467-N469 PolarHBondContact O-N 3.46Å
468V25Very low31.1Very low123 Ų123118.5 Ų118.575%0.74568%0.675SS**  trans-72.578.9161.3-176.30000104.7S466 I470S466-V468 PolarHBondContact O-N 3.03Å; V468-I470 HydrophobicContact CG1-CG1 4.04Å; V468-I470 PolarHBondContact O-N 2.99Å
469N23.8Very low33.3Very low121 Ų121115 Ų11565%0.64765%0.65SS**  trans-57.6100153.8-94.8-14.3000102.9I467 Q471I467-N469 HydrophobicContact CG2-CB 4.3Å; I467-N469 WeakPolarHBondContact CG2-OD1 3.46Å; I467-N469 PolarHBondContact O-N 3.46Å; N469-Q471 HydrophobicContact CB-CG 4.42Å; N469-Q471 PolarHBondContact O-N 3.39Å
470I28.8Very low35.9Very low97 Ų97117 Ų11750%0.49765%0.648SS.*  trans-64.583152.1-58.8175.3000102.5T454 V468 S472T454-I470 HydrophobicContact CG2-CD1 4.05Å; V468-I470 HydrophobicContact CG1-CG1 4.04Å; V468-I470 PolarHBondContact O-N 2.99Å; I470-S472 PolarHBondContact O-N 3.27Å
471Q26.6Very low38.7Very low139 Ų139114.9 Ų114.965%0.6563%0.633SS**  trans-41.5127.3158.1-72.2176.9-25.300103.9N469 Y473N469-Q471 HydrophobicContact CB-CG 4.42Å; N469-Q471 PolarHBondContact O-N 3.39Å; Q471-Y473 PolarHBondContact O-N 2.7Å
472S31.2Very low41.6Very low92 Ų92106.5 Ų106.564%0.64359%0.594SS**  trans-40.494.7160.546.70000106.4I470 D474I470-S472 PolarHBondContact O-N 3.27Å; S472-D474 PolarHBondContact O-N 3.49Å
473Y34Very low44.5Very low176 Ų176104.3 Ų104.369%0.6957%0.573SS**  trans-62.3110.9164.4-90.6-89.7000101Q471 I475Q471-Y473 PolarHBondContact O-N 2.7Å; Y473-I475 WeakPolarHBondContact O-CG1 3.47Å; Y473-I475 PolarHBondContact O-N 3.42Å
474D33.3Very low47.1Very low137 Ų137104.1 Ų104.173%0.73356%0.559SS**  trans-55.488.5157.4-69.2-38.8000103.6S472 T476S472-D474 PolarHBondContact O-N 3.49Å; D474-T476 PolarHBondContact O-N 2.86Å
475I41.3Very low50.1Low53 Ų5395.4 Ų95.427%0.27252%0.519SS..  trans-74.684.1-176.7-73.3176.8000105.1Y443 Y473 D477 F525Y443-I475 HydrophobicContact CE2-CD1 3.89Å; Y443-I475 HydrophobicContact CE2-CG2 4.3Å; Y443-I475 WeakPolarHBondContact OH-CB 3.45Å; Y443-I475 WeakPolarHBondContact OH-CD1 3.41Å; Y443-I475 WeakPolarHBondContact OH-CG1 3.26Å; Y473-I475 WeakPolarHBondContact O-CG1 3.47Å; Y473-I475 PolarHBondContact O-N 3.42Å; I475-D477 WeakPolarHBondContact CG2-O 3.47Å; I475-F525 HydrophobicContact CD1-CD1 4.48Å; I475-F525 HydrophobicContact CD1-CE1 3.83Å
476T45.5Very low53.1Low121 Ų12192.5 Ų92.574%0.74249%0.489SS*.  trans-68-20.6161.751.30000110.7D474 E478D474-T476 PolarHBondContact O-N 2.86Å; T476-E478 PolarHBondContact O-N 3.19Å; T476-E478 VanDerWaalsContact O-N 3.15Å
477D52.9Low55.8Low107 Ų10789.7 Ų89.757%0.57247%0.472SS*.SBendtrans-87.787.5180-69.3-2.5000109.7I475 N479I475-D477 WeakPolarHBondContact CG2-O 3.47Å; D477-N479 PolarHBondContact O-N 2.83Å
478E61Low58.5Low148 Ų14889.3 Ų89.369%0.69246%0.462SS*.  trans-46.598.9160.5-77.6-173.4178.600110T476 E480 I483T476-E478 PolarHBondContact O-N 3.19Å; T476-E478 VanDerWaalsContact O-N 3.15Å; E478-E480 PolarHBondContact O-N 3.09Å; E478-I483 HydrophobicContact CB-CD1 3.83Å
479N73.5Confident61.2Low17 Ų1783.6 Ų83.69%0.09143%0.427CS..  trans-61.1109.6179.5-80.2-47.4000110.7D477 S481 L482 I483 L529D477-N479 PolarHBondContact O-N 2.83Å; N479-S481 VanDerWaalsContact C-N 3.27Å; N479-S481 PolarHBondContact O-N 3.1Å; N479-L482 HydrophobicContact CB-CB 4.11Å; N479-L482 PolarHBondContact O-N 3.15Å; N479-I483 WeakPolarHBondContact O-CG1 3.46Å; N479-I483 PolarHBondContact O-N 3.33Å; N479-L529 WeakPolarHBondContact ND2-CD1 3.38Å
480E80.3Confident63.7Low138 Ų13882.6 Ų82.665%0.64542%0.418SS*.Hα-helixtrans-58.6-40.2-178.2-165-172.9159.700111.7E478 L482 I483 Q484E478-E480 PolarHBondContact O-N 3.09Å; E480-L482 PolarHBondContact O-N 3.41Å; E480-I483 PolarHBondContact O-N 3.38Å; E480-Q484 VanDerWaalsContact O-CG 3.29Å; E480-Q484 WeakPolarHBondContact O-CG 3.26Å; E480-Q484 PolarHBondContact O-N 2.9Å; E480-Q484 PolarHBondContact OE1-NE2 3.32Å
481S83.5Confident65.9Low26 Ų2678.4 Ų78.418%0.18240%0.4CS..Hα-helixtrans-60.4-45.3178.254.90000112N479 Q484 V485 D530N479-S481 VanDerWaalsContact C-N 3.27Å; N479-S481 PolarHBondContact O-N 3.1Å; S481-Q484 WeakPolarHBondContact O-CB 3.21Å; S481-Q484 PolarHBondContact O-N 3.42Å; S481-V485 WeakPolarHBondContact O-CG2 3.39Å; S481-V485 PolarHBondContact O-N 3.2Å; S481-D530 VanDerWaalsContact CB-OD1 3.3Å; S481-D530 WeakPolarHBondContact CB-OD1 3.37Å; S481-D530 PolarHBondContact OG-OD1 3.45Å
482L86Confident68.5Low4 Ų472.5 Ų72.52%0.02137%0.371CS..Hα-helixtrans-69.4-34.8178.2-17263000112.2Y439 L442 Y443 I446 N479 E480 Q484 V485 A486Y439-L482 HydrophobicContact CD2-CB 4.24Å; Y439-L482 HydrophobicContact CD2-CD2 3.91Å; Y439-L482 HydrophobicContact CD2-CG 3.85Å; Y439-L482 HydrophobicContact CE2-CB 4.05Å; Y439-L482 HydrophobicContact CE2-CD2 3.7Å; Y439-L482 HydrophobicContact CE2-CG 3.96Å; L442-L482 HydrophobicContact CB-CD1 4.11Å; L442-L482 HydrophobicContact CD1-CD1 4.29Å; Y443-L482 HydrophobicContact CD2-CD2 4.08Å; I446-L482 HydrophobicContact CD1-CD1 3.8Å; I446-L482 HydrophobicContact CD1-CD2 4.42Å; N479-L482 HydrophobicContact CB-CB 4.11Å; N479-L482 PolarHBondContact O-N 3.15Å; E480-L482 PolarHBondContact O-N 3.41Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; L482-V485 PolarHBondContact O-N 2.75Å; L482-A486 WeakPolarHBondContact O-CB 3.35Å; L482-A486 PolarHBondContact O-N 3.06Å
483I85.7Confident70.9Confident65 Ų6568.1 Ų68.133%0.33334%0.341SS..Hα-helixtrans-62.9-43.5173.5-68.8168.3000110.3Y439 E478 N479 E480 V485 A486 A487Y439-I483 HydrophobicContact CD2-CG1 3.66Å; Y439-I483 HydrophobicContact CE2-CD1 4.49Å; Y439-I483 HydrophobicContact CE2-CG1 3.76Å; Y439-I483 HydrophobicContact CG-CG1 4.45Å; E478-I483 HydrophobicContact CB-CD1 3.83Å; N479-I483 WeakPolarHBondContact O-CG1 3.46Å; N479-I483 PolarHBondContact O-N 3.33Å; E480-I483 PolarHBondContact O-N 3.38Å; I483-V485 VanDerWaalsContact C-N 3.34Å; I483-V485 PolarHBondContact O-N 3.17Å; I483-A486 PolarHBondContact O-N 3.22Å; I483-A487 WeakPolarHBondContact O-CB 3.25Å; I483-A487 PolarHBondContact O-N 3.37Å
484Q83.6Confident73.2Confident117 Ų11760.2 Ų60.255%0.54731%0.311SS..Hα-helixtrans-61.8-41.7175.7-69.8175.414.800111.5E480 S481 L482 A487 R488E480-Q484 VanDerWaalsContact O-CG 3.29Å; E480-Q484 WeakPolarHBondContact O-CG 3.26Å; E480-Q484 PolarHBondContact O-N 2.9Å; E480-Q484 PolarHBondContact OE1-NE2 3.32Å; S481-Q484 WeakPolarHBondContact O-CB 3.21Å; S481-Q484 PolarHBondContact O-N 3.42Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-A487 PolarHBondContact O-N 3.02Å; Q484-R488 WeakPolarHBondContact O-CB 3.43Å; Q484-R488 PolarHBondContact O-N 3.45Å
485V86.7Confident75.3Confident5 Ų558.5 Ų58.53%0.0330%0.297CS..Hα-helixtrans-62.6-47.6174174.70000111.1L442 S481 L482 I483 A487 R488 L489 C533 L536 I537L442-V485 HydrophobicContact CD1-CG1 4.39Å; S481-V485 WeakPolarHBondContact O-CG2 3.39Å; S481-V485 PolarHBondContact O-N 3.2Å; L482-V485 PolarHBondContact O-N 2.75Å; I483-V485 VanDerWaalsContact C-N 3.34Å; I483-V485 PolarHBondContact O-N 3.17Å; V485-A487 VanDerWaalsContact C-N 3.31Å; V485-A487 PolarHBondContact O-N 2.93Å; V485-R488 PolarHBondContact O-N 2.79Å; V485-R488 VanDerWaalsContact O-N 3.11Å; V485-L489 HydrophobicContact CG1-CD1 3.64Å; V485-L489 HydrophobicContact CG1-CG 4.22Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.31Å; V485-L489 PolarHBondContact O-N 2.81Å; V485-C533 HydrophobicContact CG2-CB 3.97Å; V485-L536 HydrophobicContact CG1-CB 4.35Å; V485-L536 HydrophobicContact CG1-CD1 4.29Å; V485-I537 HydrophobicContact CG2-CD1 3.89Å; V485-I537 HydrophobicContact CG2-CG1 3.85Å
486A86.3Confident77.2Confident1 Ų156.2 Ų56.21%0.00829%0.285CS..Hα-helixtrans-61.6-37.9178.400000112.4R438 L442 L482 I483R438-A486 HydrophobicContact CB-CB 4.23Å; R438-A486 VanDerWaalsContact CZ-O 3.31Å; R438-A486 PolarHBondContact NE-O 3.18Å; R438-A486 PolarHBondContact NH2-O 3.38Å; L442-A486 HydrophobicContact CD1-CB 4.11Å; L482-A486 WeakPolarHBondContact O-CB 3.35Å; L482-A486 PolarHBondContact O-N 3.06Å; I483-A486 PolarHBondContact O-N 3.22Å
487A80.8Confident79Confident55 Ų5550.5 Ų50.546%0.45525%0.25SC..Hα-helixtrans-64.4-39.8174.300000111.6I483 Q484 V485I483-A487 WeakPolarHBondContact O-CB 3.25Å; I483-A487 PolarHBondContact O-N 3.37Å; Q484-A487 PolarHBondContact O-N 3.02Å; V485-A487 VanDerWaalsContact C-N 3.31Å; V485-A487 PolarHBondContact O-N 2.93Å
488R79.9Confident80.3Confident133 Ų13346 Ų4650%0.50223%0.226SC..Hα-helixtrans-71-35.6-180-172170.4173.4149.7-8.3113.4Q484 V485 H490 H541Q484-R488 WeakPolarHBondContact O-CB 3.43Å; Q484-R488 PolarHBondContact O-N 3.45Å; V485-R488 PolarHBondContact O-N 2.79Å; V485-R488 VanDerWaalsContact O-N 3.11Å; R488-H490 PolarHBondContact O-N 3.4Å; R488-H490 PolarHBondContact O-ND1 3.05Å; R488-H541 PolarHBondContact NH2-CE1 3.31Å; R488-H541 VanDerWaalsContact NH2-CE1 3.27Å; R488-H541 PolarHBondContact NH2-NE2 3.46Å; R488-H541 VanDerWaalsContact NH2-NE2 3.1Å
489L81Confident80.9Confident4 Ų440.1 Ų40.12%0.02120%0.198CC..  trans-7745.7-177.8-64.9172.4000113.9R438 L442 V485 Y492 L497 L500R438-L489 WeakPolarHBondContact CD-O 3.29Å; R438-L489 PolarHBondContact NE-O 2.93Å; L442-L489 HydrophobicContact CD1-CD1 3.94Å; L442-L489 HydrophobicContact CD2-CD1 4.44Å; V485-L489 HydrophobicContact CG1-CD1 3.64Å; V485-L489 HydrophobicContact CG1-CG 4.22Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.31Å; V485-L489 PolarHBondContact O-N 2.81Å; L489-Y492 HydrophobicContact CB-CD2 3.89Å; L489-Y492 HydrophobicContact CB-CE2 4.29Å; L489-Y492 HydrophobicContact CB-CG 4.29Å; L489-Y492 HydrophobicContact CD2-CD2 4.02Å; L489-Y492 HydrophobicContact CD2-CE1 4.21Å; L489-Y492 HydrophobicContact CD2-CE2 3.6Å; L489-Y492 HydrophobicContact CD2-CG 4.49Å; L489-Y492 WeakPolarHBondContact O-CD2 3.34Å; L489-L497 HydrophobicContact CB-CD2 4.22Å; L489-L497 HydrophobicContact CD1-CD2 3.95Å; L489-L500 HydrophobicContact CD1-CD2 3.71Å; L489-L500 HydrophobicContact CD2-CD2 3.74Å; L489-L500 HydrophobicContact CG-CD2 4.41Å
490H76.8Confident81.2Confident99 Ų9939.4 Ų39.446%0.45819%0.194SC..THydrogen-bonded Turntrans-64.5144.4174.266.1-79.6000111.7R488 Y492R488-H490 PolarHBondContact O-N 3.4Å; R488-H490 PolarHBondContact O-ND1 3.05Å; H490-Y492 PolarHBondContact O-N 2.82Å
491G75.2Confident81.3Confident10 Ų1032.8 Ų32.810%0.10316%0.163CC..THydrogen-bonded Turntrans81.3-9.5179.200000115.5
492Y80.4Confident80.7Confident14 Ų1433.1 Ų33.16%0.05516%0.162CC..  trans-70.9133.2175.7-77.7-108.3000111.3L489 H490 D496 L497 L500 S540 Y543 P545L489-Y492 HydrophobicContact CB-CD2 3.89Å; L489-Y492 HydrophobicContact CB-CE2 4.29Å; L489-Y492 HydrophobicContact CB-CG 4.29Å; L489-Y492 HydrophobicContact CD2-CD2 4.02Å; L489-Y492 HydrophobicContact CD2-CE1 4.21Å; L489-Y492 HydrophobicContact CD2-CE2 3.6Å; L489-Y492 HydrophobicContact CD2-CG 4.49Å; L489-Y492 WeakPolarHBondContact O-CD2 3.34Å; H490-Y492 PolarHBondContact O-N 2.82Å; Y492-D496 HydrophobicContact CD1-CB 3.66Å; Y492-D496 HydrophobicContact CE1-CB 4.49Å; Y492-D496 HydrophobicContact CG-CB 4.38Å; Y492-L497 HydrophobicContact CD1-CD2 4.29Å; Y492-L497 HydrophobicContact CG-CD2 4.13Å; Y492-L500 HydrophobicContact CE1-CD2 4.34Å; Y492-S540 PolarHBondContact OH-O 2.91Å; Y492-Y543 WeakPolarHBondContact CE1-O 3.23Å; Y492-Y543 PolarHBondContact OH-O 3.01Å; Y492-P545 HydrophobicContact CD1-CB 4.11Å; Y492-P545 HydrophobicContact CD2-CB 4.12Å; Y492-P545 HydrophobicContact CD2-CG 4.13Å; Y492-P545 HydrophobicContact CE1-CB 4.29Å; Y492-P545 HydrophobicContact CE2-CB 4.33Å; Y492-P545 HydrophobicContact CE2-CG 4.04Å; Y492-P545 HydrophobicContact CG-CB 4Å
493T80.7Confident79.9Confident1 Ų133.1 Ų33.11%0.00616%0.162CC..  trans-77.3159.8169.265.50000111.1L432 K495 D496 L497 N547L432-T493 HydrophobicContact CD2-CG2 3.68Å; T493-K495 PolarHBondContact O-N 3.48Å; T493-K495 VanDerWaalsContact O-N 3.16Å; T493-D496 WeakPolarHBondContact CB-OD2 3.47Å; T493-D496 PolarHBondContact N-OD2 2.54Å; T493-D496 WeakPolarHBondContact O-CA 3.12Å; T493-D496 WeakPolarHBondContact O-CB 3.06Å; T493-D496 PolarHBondContact O-N 2.74Å; T493-D496 PolarHBondContact OG1-N 2.84Å; T493-D496 PolarHBondContact OG1-OD2 2.84Å; T493-L497 WeakPolarHBondContact O-CG 3.23Å; T493-L497 PolarHBondContact O-N 2.94Å; T493-N547 WeakPolarHBondContact CG2-ND2 3.33Å
494P82.1Confident79.5Confident9 Ų930 Ų306%0.05815%0.146CC..Hα-helixtrans-50.2-39.5171.2-27.835.4000112.7P433 I441 L497 V498P433-P494 HydrophobicContact CG-CG 4.23Å; I441-P494 HydrophobicContact CD1-CB 4.02Å; I441-P494 HydrophobicContact CD1-CG 4.05Å; P494-L497 PolarHBondContact O-N 2.82Å; P494-V498 VanDerWaalsContact O-CG2 3.29Å; P494-V498 WeakPolarHBondContact O-CG2 3.27Å; P494-V498 PolarHBondContact O-N 2.87Å
495K79Confident79Confident102 Ų10225.9 Ų25.944%0.44313%0.126SC..Hα-helixtrans-66.1-38.8175.9-170.2174.1-179-179.40112.9Y95 G269 T493 R499Y95-K495 WeakPolarHBondContact OH-CE 3.16Å; G269-K495 WeakPolarHBondContact O-CB 3.34Å; G269-K495 PolarHBondContact O-N 2.75Å; T493-K495 PolarHBondContact O-N 3.48Å; T493-K495 VanDerWaalsContact O-N 3.16Å; K495-R499 WeakPolarHBondContact O-CB 3.14Å; K495-R499 PolarHBondContact O-N 3.32Å; K495-R499 VanDerWaalsContact O-N 3.16Å
496D80Confident77.9Confident5 Ų525.7 Ų25.73%0.02713%0.125CC..Hα-helixtrans-66.4-39.4175.9-58.6-45.4000111.4Y492 T493 R499 L500 I546Y492-D496 HydrophobicContact CD1-CB 3.66Å; Y492-D496 HydrophobicContact CE1-CB 4.49Å; Y492-D496 HydrophobicContact CG-CB 4.38Å; T493-D496 WeakPolarHBondContact CB-OD2 3.47Å; T493-D496 PolarHBondContact N-OD2 2.54Å; T493-D496 WeakPolarHBondContact O-CA 3.12Å; T493-D496 WeakPolarHBondContact O-CB 3.06Å; T493-D496 PolarHBondContact O-N 2.74Å; T493-D496 PolarHBondContact OG1-N 2.84Å; T493-D496 PolarHBondContact OG1-OD2 2.84Å; D496-R499 WeakPolarHBondContact O-CB 3.39Å; D496-R499 PolarHBondContact O-N 2.76Å; D496-L500 WeakPolarHBondContact O-CB 3.19Å; D496-L500 PolarHBondContact O-N 2.81Å; D496-I546 VanDerWaalsContact OD1-CD1 3.23Å; D496-I546 WeakPolarHBondContact OD1-CD1 3.36Å; D496-I546 VanDerWaalsContact OD1-CG1 3.27Å; D496-I546 WeakPolarHBondContact OD1-CG1 3.41Å; D496-I546 PolarHBondContact OD1-N 3.15Å
497L84.7Confident77Confident0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-65.2-48.2178.1-64.9170.4000112P433 R438 I441 L442 L489 Y492 T493 P494 R499 L500 V501P433-L497 HydrophobicContact CG-CD1 4.34Å; R438-L497 HydrophobicContact CB-CD1 4.07Å; R438-L497 HydrophobicContact CG-CD1 3.75Å; I441-L497 HydrophobicContact CB-CD1 4.3Å; I441-L497 HydrophobicContact CD1-CD1 4.2Å; I441-L497 HydrophobicContact CG2-CB 4.04Å; I441-L497 HydrophobicContact CG2-CD1 4.12Å; L442-L497 HydrophobicContact CD2-CB 4.21Å; L442-L497 HydrophobicContact CD2-CD2 4.08Å; L442-L497 HydrophobicContact CG-CD2 4.37Å; L489-L497 HydrophobicContact CB-CD2 4.22Å; L489-L497 HydrophobicContact CD1-CD2 3.95Å; Y492-L497 HydrophobicContact CD1-CD2 4.29Å; Y492-L497 HydrophobicContact CG-CD2 4.13Å; T493-L497 WeakPolarHBondContact O-CG 3.23Å; T493-L497 PolarHBondContact O-N 2.94Å; P494-L497 PolarHBondContact O-N 2.82Å; L497-R499 PolarHBondContact O-N 2.86Å; L497-L500 PolarHBondContact O-N 2.87Å; L497-L500 VanDerWaalsContact O-N 3.12Å; L497-V501 WeakPolarHBondContact O-CG2 3.48Å; L497-V501 PolarHBondContact O-N 2.8Å
498V79.3Confident76.6Confident12 Ų1224.1 Ų24.17%0.07311%0.108CC..Hα-helixtrans-57.1-43.9176.7171.70000110.5Y220 I441 P494 V501 H502Y220-V498 HydrophobicContact CE1-CG1 4.33Å; I441-V498 HydrophobicContact CG2-CG2 4.37Å; P494-V498 VanDerWaalsContact O-CG2 3.29Å; P494-V498 WeakPolarHBondContact O-CG2 3.27Å; P494-V498 PolarHBondContact O-N 2.87Å; V498-V501 PolarHBondContact O-N 2.8Å; V498-H502 PolarHBondContact O-CD2 3.21Å; V498-H502 VanDerWaalsContact O-CG 3.31Å; V498-H502 PolarHBondContact O-N 2.74Å
499R74.1Confident75.9Confident26 Ų2620.3 Ų20.310%0.09810%0.097CC..Hα-helixtrans-60.8-47.6175.5178.3-162.7171.7-171.5-7.4111.8Y95 K495 D496 L497 V501 H502 V503 Y543Y95-R499 VanDerWaalsContact CD1-NH1 3.35Å; Y95-R499 HydrophobicContact CD2-CG 3.95Å; Y95-R499 HydrophobicContact CE2-CB 4.38Å; Y95-R499 HydrophobicContact CE2-CG 3.68Å; Y95-R499 VanDerWaalsContact CG-NE 3.32Å; K495-R499 WeakPolarHBondContact O-CB 3.14Å; K495-R499 PolarHBondContact O-N 3.32Å; K495-R499 VanDerWaalsContact O-N 3.16Å; D496-R499 WeakPolarHBondContact O-CB 3.39Å; D496-R499 PolarHBondContact O-N 2.76Å; L497-R499 PolarHBondContact O-N 2.86Å; R499-V501 VanDerWaalsContact C-N 3.31Å; R499-V501 PolarHBondContact O-N 2.91Å; R499-H502 PolarHBondContact O-N 2.81Å; R499-V503 HydrophobicContact CG-CG2 4.49Å; R499-V503 WeakPolarHBondContact O-CG2 3.22Å; R499-V503 PolarHBondContact O-N 2.82Å; R499-Y543 VanDerWaalsContact NH2-CE1 3.33Å
500L79.3Confident75Confident1 Ų121.9 Ų21.91%0.00511%0.109CC..Hα-helixtrans-59.1-45.3-179.6-174.368.1000110.7L489 Y492 D496 L497 H502 V503 S504 L536 E539L489-L500 HydrophobicContact CD1-CD2 3.71Å; L489-L500 HydrophobicContact CD2-CD2 3.74Å; L489-L500 HydrophobicContact CG-CD2 4.41Å; Y492-L500 HydrophobicContact CE1-CD2 4.34Å; D496-L500 WeakPolarHBondContact O-CB 3.19Å; D496-L500 PolarHBondContact O-N 2.81Å; L497-L500 PolarHBondContact O-N 2.87Å; L497-L500 VanDerWaalsContact O-N 3.12Å; L500-H502 VanDerWaalsContact C-N 3.35Å; L500-H502 PolarHBondContact O-N 3.22Å; L500-V503 PolarHBondContact O-N 3.39Å; L500-S504 WeakPolarHBondContact O-CB 3.45Å; L500-S504 PolarHBondContact O-N 3.18Å; L500-S504 PolarHBondContact O-OG 3.2Å; L500-S504 VanDerWaalsContact O-OG 3.08Å; L500-L536 HydrophobicContact CD2-CD2 4.14Å; L500-L536 HydrophobicContact CG-CD2 3.87Å; L500-E539 HydrophobicContact CD1-CB 4.05Å
501V81.4Confident74.5Confident0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-58-46175.8172.30000111.5L442 N445 I446 L497 V498 R499 V503 S504 Y505 F532 L536L442-V501 HydrophobicContact CD2-CG2 3.47Å; L442-V501 VanDerWaalsContact CD2-CG2 3.47Å; N445-V501 HydrophobicContact CB-CB 4.43Å; N445-V501 HydrophobicContact CB-CG1 4.06Å; N445-V501 HydrophobicContact CB-CG2 4.46Å; I446-V501 HydrophobicContact CG1-CG1 3.74Å; I446-V501 HydrophobicContact CG1-CG2 4.04Å; L497-V501 WeakPolarHBondContact O-CG2 3.48Å; L497-V501 PolarHBondContact O-N 2.8Å; V498-V501 PolarHBondContact O-N 2.8Å; R499-V501 VanDerWaalsContact C-N 3.31Å; R499-V501 PolarHBondContact O-N 2.91Å; V501-V503 PolarHBondContact O-N 2.85Å; V501-S504 PolarHBondContact O-N 3.48Å; V501-Y505 VanDerWaalsContact O-CB 3.29Å; V501-Y505 WeakPolarHBondContact O-CB 3.31Å; V501-Y505 PolarHBondContact O-N 3.11Å; V501-F532 HydrophobicContact CG1-CZ 4.22Å; V501-L536 HydrophobicContact CG2-CD2 4.37Å
502H71.9Confident73.7Confident32 Ų3224.8 Ų24.815%0.14812%0.118CC..Hα-helixtrans-64.7-40.8179.8-71179.1000113.3L88 Y220 V498 R499 L500 Y505 A506L88-H502 HydrophobicContact CD2-CB 3.86Å; Y220-H502 PolarHBondContact OH-CE1 3.09Å; Y220-H502 VanDerWaalsContact OH-CE1 3.23Å; Y220-H502 PolarHBondContact OH-NE2 2.92Å; Y220-H502 VanDerWaalsContact OH-NE2 3.14Å; V498-H502 PolarHBondContact O-CD2 3.21Å; V498-H502 VanDerWaalsContact O-CG 3.31Å; V498-H502 PolarHBondContact O-N 2.74Å; R499-H502 PolarHBondContact O-N 2.81Å; L500-H502 VanDerWaalsContact C-N 3.35Å; L500-H502 PolarHBondContact O-N 3.22Å; H502-Y505 PolarHBondContact O-N 3.1Å; H502-A506 PolarHBondContact O-N 3.3Å
503V69.5Low72.3Confident4 Ų429.8 Ų29.82%0.02415%0.146CC..Hα-helixtrans-64.9-46.4176.7170.30000110.4R499 L500 V501 Y505 A506 S507 E539 Y543R499-V503 HydrophobicContact CG-CG2 4.49Å; R499-V503 WeakPolarHBondContact O-CG2 3.22Å; R499-V503 PolarHBondContact O-N 2.82Å; L500-V503 PolarHBondContact O-N 3.39Å; V501-V503 PolarHBondContact O-N 2.85Å; V503-Y505 VanDerWaalsContact C-N 3.3Å; V503-Y505 PolarHBondContact O-N 2.75Å; V503-A506 PolarHBondContact O-N 3.39Å; V503-S507 PolarHBondContact O-N 3.12Å; V503-E539 HydrophobicContact CG1-CG 4.21Å; V503-Y543 HydrophobicContact CB-CE1 4.42Å; V503-Y543 HydrophobicContact CG1-CD2 4.08Å; V503-Y543 HydrophobicContact CG1-CE1 4.06Å; V503-Y543 HydrophobicContact CG1-CE2 3.52Å; V503-Y543 VanDerWaalsContact CG1-CZ 3.49Å; V503-Y543 HydrophobicContact CG2-CD1 4.13Å; V503-Y543 HydrophobicContact CG2-CE1 3.66Å
504S77.7Confident70.9Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-65.2-34.8178.4-62.20000112.2L500 V501 S507 F508 L536L500-S504 WeakPolarHBondContact O-CB 3.45Å; L500-S504 PolarHBondContact O-N 3.18Å; L500-S504 PolarHBondContact O-OG 3.2Å; L500-S504 VanDerWaalsContact O-OG 3.08Å; V501-S504 PolarHBondContact O-N 3.48Å; S504-S507 PolarHBondContact O-N 3.42Å; S504-F508 VanDerWaalsContact O-CB 3.27Å; S504-F508 WeakPolarHBondContact O-CB 2.81Å; S504-F508 PolarHBondContact O-N 3.09Å; S504-L536 WeakPolarHBondContact OG-CA 3.36Å; S504-L536 WeakPolarHBondContact OG-CD2 3.46Å
505Y73Confident69.3Low31 Ų3139.9 Ų39.912%0.12220%0.199CC..Hα-helixtrans-63.8-42.8172.7-178.2-107.8000112.8C449 L450 V501 H502 V503 F508 L509 F532C449-Y505 HydrophobicContact CB-CD1 4.2Å; C449-Y505 HydrophobicContact CB-CD2 3.75Å; C449-Y505 HydrophobicContact CB-CE1 4.41Å; C449-Y505 HydrophobicContact CB-CE2 4Å; C449-Y505 HydrophobicContact CB-CG 3.86Å; C449-Y505 PolarHBondContact O-OH 2.91Å; L450-Y505 HydrophobicContact CD2-CE2 4.26Å; V501-Y505 VanDerWaalsContact O-CB 3.29Å; V501-Y505 WeakPolarHBondContact O-CB 3.31Å; V501-Y505 PolarHBondContact O-N 3.11Å; H502-Y505 PolarHBondContact O-N 3.1Å; V503-Y505 VanDerWaalsContact C-N 3.3Å; V503-Y505 PolarHBondContact O-N 2.75Å; Y505-F508 WeakPolarHBondContact O-CB 3.26Å; Y505-F508 PolarHBondContact O-N 3.13Å; Y505-L509 HydrophobicContact CD1-CD1 4.06Å; Y505-L509 HydrophobicContact CE1-CD1 3.52Å; Y505-L509 HydrophobicContact CE1-CG 4.14Å; Y505-L509 HydrophobicContact CE2-CD2 4.42Å; Y505-L509 HydrophobicContact CE2-CG 4.41Å; Y505-L509 WeakPolarHBondContact O-CG 3.37Å; Y505-L509 PolarHBondContact O-N 3.31Å; Y505-F532 HydrophobicContact CD2-CE2 4.22Å
506A62.9Low67.8Low1 Ų139.4 Ų39.41%0.00821%0.209CC..Hα-helixtrans-66-41.2175.400000112.5L85 L88 L113 H502 V503 F508 L509 S510L85-A506 HydrophobicContact CD2-CB 4.13Å; L88-A506 HydrophobicContact CD1-CB 4.2Å; L113-A506 HydrophobicContact CB-CB 3.63Å; L113-A506 HydrophobicContact CD1-CB 4.17Å; L113-A506 HydrophobicContact CD2-CB 3.38Å; L113-A506 HydrophobicContact CG-CB 3.88Å; H502-A506 PolarHBondContact O-N 3.3Å; V503-A506 PolarHBondContact O-N 3.39Å; A506-F508 VanDerWaalsContact C-N 3.27Å; A506-F508 PolarHBondContact O-N 2.95Å; A506-L509 PolarHBondContact O-N 3.24Å; A506-S510 PolarHBondContact O-N 3.34Å
507S67.5Low65.9Low6 Ų648.5 Ų48.54%0.04225%0.248CC..Hα-helixtrans-64.8-31.8173.3177.20000112.7L113 V503 S504 S510 K511L113-S507 WeakPolarHBondContact O-CA 3.33Å; V503-S507 PolarHBondContact O-N 3.12Å; S504-S507 PolarHBondContact O-N 3.42Å; S507-S510 PolarHBondContact O-OG 3.46Å; S507-K511 WeakPolarHBondContact O-CG 3.43Å; S507-K511 PolarHBondContact O-N 2.84Å
508F71.3Confident63.6Low16 Ų1655.5 Ų55.57%0.0729%0.286CS..Hα-helixtrans-67.6-41.7173.7176.8-98.3000111.5S504 Y505 A506 K511 Q512 F532 I535S504-F508 VanDerWaalsContact O-CB 3.27Å; S504-F508 WeakPolarHBondContact O-CB 2.81Å; S504-F508 PolarHBondContact O-N 3.09Å; Y505-F508 WeakPolarHBondContact O-CB 3.26Å; Y505-F508 PolarHBondContact O-N 3.13Å; A506-F508 VanDerWaalsContact C-N 3.27Å; A506-F508 PolarHBondContact O-N 2.95Å; F508-K511 PolarHBondContact O-N 2.78Å; F508-Q512 HydrophobicContact CD1-CG 4.49Å; F508-Q512 HydrophobicContact CE1-CG 4.22Å; F508-Q512 HydrophobicContact CZ-CG 4.41Å; F508-Q512 WeakPolarHBondContact O-CG 3.42Å; F508-Q512 PolarHBondContact O-N 3.32Å; F508-Q512 VanDerWaalsContact O-N 3.17Å; F508-F532 HydrophobicContact CB-CD2 4.13Å; F508-F532 HydrophobicContact CB-CE2 4.41Å; F508-F532 HydrophobicContact CD2-CD2 4.38Å; F508-F532 HydrophobicContact CG-CD2 4.17Å; F508-I535 HydrophobicContact CB-CD1 3.9Å; F508-I535 HydrophobicContact CD2-CD1 3.9Å; F508-I535 HydrophobicContact CG-CD1 4.42Å
509L65.8Low61.4Low54 Ų5458.3 Ų58.328%0.28330%0.297SS..Hα-helixtrans-65.3-40.9176.3-70.6179.3000112.6Y505 A506 K511 Q512 N513Y505-L509 HydrophobicContact CD1-CD1 4.06Å; Y505-L509 HydrophobicContact CE1-CD1 3.52Å; Y505-L509 HydrophobicContact CE1-CG 4.14Å; Y505-L509 HydrophobicContact CE2-CD2 4.42Å; Y505-L509 HydrophobicContact CE2-CG 4.41Å; Y505-L509 WeakPolarHBondContact O-CG 3.37Å; Y505-L509 PolarHBondContact O-N 3.31Å; A506-L509 PolarHBondContact O-N 3.24Å; L509-K511 PolarHBondContact O-N 2.89Å; L509-Q512 WeakPolarHBondContact O-CB 3.4Å; L509-Q512 PolarHBondContact O-N 2.89Å; L509-Q512 VanDerWaalsContact O-N 3.13Å; L509-N513 PolarHBondContact O-N 3.11Å; L509-N513 VanDerWaalsContact O-N 3.09Å
510S62.9Low59.5Low37 Ų3761.1 Ų61.126%0.25932%0.319SS..Hα-helixtrans-62.1-43.8177.162.20000111.8A506 S507 Q512 N513 D514A506-S510 PolarHBondContact O-N 3.34Å; S507-S510 PolarHBondContact O-OG 3.46Å; S510-Q512 PolarHBondContact O-N 3.49Å; S510-N513 PolarHBondContact O-N 3.11Å; S510-N513 VanDerWaalsContact O-N 3.15Å; S510-D514 PolarHBondContact O-N 3.34Å
511K65.2Low57.7Low101 Ų10173 Ų7344%0.43936%0.363SS..Hα-helixtrans-62.9-25.6174.3-72.7-177.9178.2-172.70114.1S507 F508 L509 N515 I535S507-K511 WeakPolarHBondContact O-CG 3.43Å; S507-K511 PolarHBondContact O-N 2.84Å; F508-K511 PolarHBondContact O-N 2.78Å; L509-K511 PolarHBondContact O-N 2.89Å; K511-N515 PolarHBondContact O-ND2 2.81Å; K511-I535 HydrophobicContact CD-CD1 4.04Å
512Q57.8Low55.6Low68 Ų6878.7 Ų78.732%0.31840%0.399SS..Hα-helixtrans-76.3-39.7174.1-71.1-122.221.100111.7F508 L509 S510 D514 N515 F519F508-Q512 HydrophobicContact CD1-CG 4.49Å; F508-Q512 HydrophobicContact CE1-CG 4.22Å; F508-Q512 HydrophobicContact CZ-CG 4.41Å; F508-Q512 WeakPolarHBondContact O-CG 3.42Å; F508-Q512 PolarHBondContact O-N 3.32Å; F508-Q512 VanDerWaalsContact O-N 3.17Å; L509-Q512 WeakPolarHBondContact O-CB 3.4Å; L509-Q512 PolarHBondContact O-N 2.89Å; L509-Q512 VanDerWaalsContact O-N 3.13Å; S510-Q512 PolarHBondContact O-N 3.49Å; Q512-D514 PolarHBondContact O-N 2.91Å; Q512-N515 PolarHBondContact O-N 3.14Å; Q512-F519 WeakPolarHBondContact O-CE2 3.37Å
513N52.8Low54.4Low119 Ų11983.2 Ų83.264%0.63641%0.414SS*.Hα-helixtrans-65.1-38.3178.7-79.9-6.4000112.6L509 S510 N515 S516L509-N513 PolarHBondContact O-N 3.11Å; L509-N513 VanDerWaalsContact O-N 3.09Å; S510-N513 PolarHBondContact O-N 3.11Å; S510-N513 VanDerWaalsContact O-N 3.15Å; N513-N515 VanDerWaalsContact C-N 3.27Å; N513-N515 PolarHBondContact O-N 3.24Å; N513-S516 WeakPolarHBondContact O-CB 3.36Å; N513-S516 PolarHBondContact O-N 2.97Å; N513-S516 PolarHBondContact O-OG 3.45Å
514D50.5Low53.6Low123 Ų12388.5 Ų88.566%0.65844%0.442SS*.Hα-helixtrans-62.9-34.4177.5-72.8-22.4000112.6S510 Q512 S516S510-D514 PolarHBondContact O-N 3.34Å; Q512-D514 PolarHBondContact O-N 2.91Å; D514-S516 VanDerWaalsContact C-N 3.27Å; D514-S516 PolarHBondContact O-N 3.01Å
515N48.9Very low52.6Low99 Ų9991.8 Ų91.853%0.52946%0.457SS..THydrogen-bonded Turntrans-88.513.4-176.7-76.4-45.9000113.2K511 Q512 N513 K517 D518 F519K511-N515 PolarHBondContact O-ND2 2.81Å; Q512-N515 PolarHBondContact O-N 3.14Å; N513-N515 VanDerWaalsContact C-N 3.27Å; N513-N515 PolarHBondContact O-N 3.24Å; N515-K517 PolarHBondContact O-N 3.13Å; N515-D518 PolarHBondContact O-N 2.94Å; N515-F519 HydrophobicContact CB-CD2 4.03Å; N515-F519 HydrophobicContact CB-CE2 3.13Å; N515-F519 HydrophobicContact CB-CZ 3.63Å; N515-F519 WeakPolarHBondContact O-CD2 3.45Å; N515-F519 WeakPolarHBondContact O-CE2 3.48Å
516S47.1Very low51.9Low93 Ų9393.8 Ų93.865%0.6547%0.47SS*.THydrogen-bonded Turntrans-601.3-174.353.60000116.6N513 D514N513-S516 WeakPolarHBondContact O-CB 3.36Å; N513-S516 PolarHBondContact O-N 2.97Å; N513-S516 PolarHBondContact O-OG 3.45Å; D514-S516 VanDerWaalsContact C-N 3.27Å; D514-S516 PolarHBondContact O-N 3.01Å
517K40Very low51.9Low196 Ų19699.2 Ų99.285%0.85250%0.495SS*.THydrogen-bonded Turntrans-91.2-14.6173.5-70-170.7177.6178.40115.6N515N515-K517 PolarHBondContact O-N 3.13Å
518D36.1Very low52Low147 Ų14799.9 Ų99.979%0.78650%0.499SS*.SBendtrans-14239.9-172.8-74.7-43.6000115.7N515 P520N515-D518 PolarHBondContact O-N 2.94Å; D518-P520 WeakPolarHBondContact O-CD 3.37Å
519F34.5Very low52.2Low71 Ų7199.4 Ų99.431%0.31150%0.497SS..  trans-97.6114.1-177.7-88.1-72000116Q512 N515Q512-F519 WeakPolarHBondContact O-CE2 3.37Å; N515-F519 HydrophobicContact CB-CD2 4.03Å; N515-F519 HydrophobicContact CB-CE2 3.13Å; N515-F519 HydrophobicContact CB-CZ 3.63Å; N515-F519 WeakPolarHBondContact O-CD2 3.45Å; N515-F519 WeakPolarHBondContact O-CE2 3.48Å
520P33.7Very low52.9Low85 Ų85100.2 Ų100.255%0.55250%0.502SS*.  trans-76.2126.9160.530-29.8000109.7D518 T522D518-P520 WeakPolarHBondContact O-CD 3.37Å; P520-T522 PolarHBondContact O-N 2.89Å
521R41.3Very low53.7Low249 Ų249100.5 Ų100.594%0.9450%0.504SS*.SBendtrans-65.913.9179.5-69.5-179.6173.5173.9-3.5114.9
522T38Very low54.5Low121 Ų12195.8 Ų95.874%0.74248%0.483SS*.  trans-122.564.4-175.859.60000110.4P520P520-T522 PolarHBondContact O-N 2.89Å
523R45.2Very low55.9Low127 Ų12792.8 Ų92.848%0.47947%0.47SS..  trans-90.6132.9162.8-76.7-167.5179.8-173.31.6109F525R523-F525 PolarHBondContact O-N 3Å
524N53Low57.4Low114 Ų11493.3 Ų93.361%0.6147%0.469SS*.  trans-60134.1166.5-70.1-13.8000108.3N526 Q527 S528N524-N526 PolarHBondContact O-N 2.82Å; N524-N526 VanDerWaalsContact O-N 3.09Å; N524-Q527 PolarHBondContact O-N 2.9Å; N524-S528 PolarHBondContact O-N 3.12Å
525F56.5Low58.8Low69 Ų6987.9 Ų87.930%0.30344%0.44SS..Hα-helixtrans-46.9-40.3177.5178.7-105.9000112L450 I475 R523 Q527 S528 L529L450-F525 HydrophobicContact CD1-CD2 4.27Å; L450-F525 HydrophobicContact CD1-CE2 3.5Å; L450-F525 VanDerWaalsContact CD1-CE2 3.5Å; L450-F525 HydrophobicContact CD1-CZ 4.15Å; I475-F525 HydrophobicContact CD1-CD1 4.48Å; I475-F525 HydrophobicContact CD1-CE1 3.83Å; R523-F525 PolarHBondContact O-N 3Å; F525-Q527 PolarHBondContact O-N 3.23Å; F525-S528 PolarHBondContact O-N 3.45Å; F525-S528 PolarHBondContact O-OG 3.34Å; F525-L529 HydrophobicContact CD1-CD1 3.65Å; F525-L529 HydrophobicContact CD1-CG 4.13Å; F525-L529 HydrophobicContact CE1-CD1 3.25Å; F525-L529 HydrophobicContact CE1-CD2 4.34Å; F525-L529 HydrophobicContact CE1-CG 3.9Å; F525-L529 HydrophobicContact CE2-CD2 4.47Å; F525-L529 HydrophobicContact CE2-CG 4.5Å; F525-L529 HydrophobicContact CZ-CD1 3.82Å; F525-L529 HydrophobicContact CZ-CD2 4.06Å; F525-L529 HydrophobicContact CZ-CG 4.08Å; F525-L529 WeakPolarHBondContact O-CG 3.44Å; F525-L529 PolarHBondContact O-N 2.97Å
526N59.7Low60.5Low74 Ų7483.1 Ų83.140%0.39641%0.414SS..Hα-helixtrans-61.5-42.3180-61.7-3.3000113.4N524 S528 L529 D530N524-N526 PolarHBondContact O-N 2.82Å; N524-N526 VanDerWaalsContact O-N 3.09Å; N526-S528 VanDerWaalsContact C-N 3.31Å; N526-S528 PolarHBondContact O-N 3.45Å; N526-L529 WeakPolarHBondContact O-CB 3.34Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 VanDerWaalsContact O-N 3.15Å; N526-D530 PolarHBondContact O-N 3.26Å
527Q62Low62.3Low115 Ų11581 Ų8154%0.53740%0.395SS..Hα-helixtrans-66-36177.2-72.1-179.9-7.500111.9N524 F525 L529 S531N524-Q527 PolarHBondContact O-N 2.9Å; F525-Q527 PolarHBondContact O-N 3.23Å; Q527-L529 VanDerWaalsContact C-N 3.32Å; Q527-S531 PolarHBondContact O-N 2.97Å; Q527-S531 PolarHBondContact O-OG 3.01Å
528S70.1Confident64.2Low19 Ų1976.3 Ų76.313%0.13338%0.379CS..Hα-helixtrans-67.9-34.5174.468.60000112.1N524 F525 N526 F532N524-S528 PolarHBondContact O-N 3.12Å; F525-S528 PolarHBondContact O-N 3.45Å; F525-S528 PolarHBondContact O-OG 3.34Å; N526-S528 VanDerWaalsContact C-N 3.31Å; N526-S528 PolarHBondContact O-N 3.45Å; S528-F532 VanDerWaalsContact O-CB 3.31Å; S528-F532 WeakPolarHBondContact O-CB 3.32Å; S528-F532 PolarHBondContact O-N 3.11Å
529L75.7Confident66.1Low6 Ų670 Ų703%0.03135%0.345CS..Hα-helixtrans-68.7-40.8175.8-74.8-177000112.8I446 L450 N479 F525 N526 Q527 F532 C533I446-L529 HydrophobicContact CG2-CD2 3.66Å; L450-L529 HydrophobicContact CD1-CD2 3.86Å; N479-L529 WeakPolarHBondContact ND2-CD1 3.38Å; F525-L529 HydrophobicContact CD1-CD1 3.65Å; F525-L529 HydrophobicContact CD1-CG 4.13Å; F525-L529 HydrophobicContact CE1-CD1 3.25Å; F525-L529 HydrophobicContact CE1-CD2 4.34Å; F525-L529 HydrophobicContact CE1-CG 3.9Å; F525-L529 HydrophobicContact CE2-CD2 4.47Å; F525-L529 HydrophobicContact CE2-CG 4.5Å; F525-L529 HydrophobicContact CZ-CD1 3.82Å; F525-L529 HydrophobicContact CZ-CD2 4.06Å; F525-L529 HydrophobicContact CZ-CG 4.08Å; F525-L529 WeakPolarHBondContact O-CG 3.44Å; F525-L529 PolarHBondContact O-N 2.97Å; N526-L529 WeakPolarHBondContact O-CB 3.34Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 VanDerWaalsContact O-N 3.15Å; Q527-L529 VanDerWaalsContact C-N 3.32Å; L529-F532 CarbonylContact O-C 3.54Å; L529-F532 WeakPolarHBondContact O-CA 3.36Å; L529-F532 WeakPolarHBondContact O-CB 3.46Å; L529-F532 PolarHBondContact O-N 3.04Å; L529-F532 VanDerWaalsContact O-N 3.15Å; L529-C533 WeakPolarHBondContact O-CB 3.37Å; L529-C533 PolarHBondContact O-N 2.84Å; L529-C533 PolarHBondContact O-SG 3.49Å
530D79.9Confident68.2Low71 Ų7167.1 Ų67.138%0.3833%0.334SS..Hα-helixtrans-65.2-44.6178-69.9-28.8000111.1S481 N526 F532 C533 E534S481-D530 VanDerWaalsContact CB-OD1 3.3Å; S481-D530 WeakPolarHBondContact CB-OD1 3.37Å; S481-D530 PolarHBondContact OG-OD1 3.45Å; N526-D530 PolarHBondContact O-N 3.26Å; D530-F532 PolarHBondContact O-N 3.38Å; D530-C533 WeakPolarHBondContact O-CB 3.29Å; D530-C533 PolarHBondContact O-N 3.28Å; D530-C533 VanDerWaalsContact O-N 3.12Å; D530-E534 PolarHBondContact O-N 3.31Å
531S80.1Confident70Confident43 Ų4368.6 Ų68.630%0.30133%0.333SS..Hα-helixtrans-58.5-37.5171.6-63.50000111.9Q527 I535Q527-S531 PolarHBondContact O-N 2.97Å; Q527-S531 PolarHBondContact O-OG 3.01Å; S531-I535 WeakPolarHBondContact O-CG1 3.49Å; S531-I535 PolarHBondContact O-N 3.39Å
532F82.6Confident71.1Confident2 Ų260.1 Ų60.11%0.00931%0.312CS..Hα-helixtrans-68.7-39.2175.9-167.7-88.2000112.2I446 V501 Y505 F508 S528 L529 D530 E534 I535 L536I446-F532 HydrophobicContact CD1-CD1 4.04Å; I446-F532 HydrophobicContact CD1-CE1 3.78Å; I446-F532 HydrophobicContact CG1-CD1 4.23Å; I446-F532 HydrophobicContact CG1-CE1 3.61Å; I446-F532 HydrophobicContact CG1-CZ 4.19Å; I446-F532 HydrophobicContact CG2-CE1 4.47Å; V501-F532 HydrophobicContact CG1-CZ 4.22Å; Y505-F532 HydrophobicContact CD2-CE2 4.22Å; F508-F532 HydrophobicContact CB-CD2 4.13Å; F508-F532 HydrophobicContact CB-CE2 4.41Å; F508-F532 HydrophobicContact CD2-CD2 4.38Å; F508-F532 HydrophobicContact CG-CD2 4.17Å; S528-F532 VanDerWaalsContact O-CB 3.31Å; S528-F532 WeakPolarHBondContact O-CB 3.32Å; S528-F532 PolarHBondContact O-N 3.11Å; L529-F532 CarbonylContact O-C 3.54Å; L529-F532 WeakPolarHBondContact O-CA 3.36Å; L529-F532 WeakPolarHBondContact O-CB 3.46Å; L529-F532 PolarHBondContact O-N 3.04Å; L529-F532 VanDerWaalsContact O-N 3.15Å; D530-F532 PolarHBondContact O-N 3.38Å; F532-E534 VanDerWaalsContact C-N 3.34Å; F532-E534 PolarHBondContact O-N 3.42Å; F532-I535 PolarHBondContact O-N 3.42Å; F532-L536 HydrophobicContact CD1-CD1 3.54Å; F532-L536 HydrophobicContact CD1-CG 3.75Å; F532-L536 HydrophobicContact CE1-CD1 3.53Å; F532-L536 HydrophobicContact CE1-CD2 3.93Å; F532-L536 HydrophobicContact CE1-CG 3.57Å; F532-L536 WeakPolarHBondContact O-CG 3.45Å; F532-L536 PolarHBondContact O-N 3.08Å
533C85.8Confident72.5Confident6 Ų654.7 Ų54.74%0.04128%0.278CS..Hα-helixtrans-63.3-39.6176.6-70.60000111.5V485 L529 D530 L536 I537V485-C533 HydrophobicContact CG2-CB 3.97Å; L529-C533 WeakPolarHBondContact O-CB 3.37Å; L529-C533 PolarHBondContact O-N 2.84Å; L529-C533 PolarHBondContact O-SG 3.49Å; D530-C533 WeakPolarHBondContact O-CB 3.29Å; D530-C533 PolarHBondContact O-N 3.28Å; D530-C533 VanDerWaalsContact O-N 3.12Å; C533-L536 WeakPolarHBondContact O-CB 3.48Å; C533-L536 PolarHBondContact O-N 2.84Å; C533-I537 VanDerWaalsContact O-CG1 3.3Å; C533-I537 WeakPolarHBondContact O-CG1 3.46Å; C533-I537 PolarHBondContact O-N 3.06Å
534E84.4Confident73.6Confident130 Ų13053.8 Ų53.861%0.60728%0.282SS*.Hα-helixtrans-61.9-42.8173-70.4-179.6176.700112D530 F532 I537 N538D530-E534 PolarHBondContact O-N 3.31Å; F532-E534 VanDerWaalsContact C-N 3.34Å; F532-E534 PolarHBondContact O-N 3.42Å; E534-I537 PolarHBondContact O-N 3.44Å; E534-N538 WeakPolarHBondContact O-CB 3.43Å; E534-N538 VanDerWaalsContact O-CG 3.27Å; E534-N538 PolarHBondContact O-N 3.03Å; E534-N538 PolarHBondContact O-ND2 3.01Å
535I81.1Confident74.3Confident8 Ų848.6 Ų48.64%0.04126%0.255CS..Hα-helixtrans-65-42.4175.4-64167.2000110.7F508 K511 S531 F532 I537 N538 E539F508-I535 HydrophobicContact CB-CD1 3.9Å; F508-I535 HydrophobicContact CD2-CD1 3.9Å; F508-I535 HydrophobicContact CG-CD1 4.42Å; K511-I535 HydrophobicContact CD-CD1 4.04Å; S531-I535 WeakPolarHBondContact O-CG1 3.49Å; S531-I535 PolarHBondContact O-N 3.39Å; F532-I535 PolarHBondContact O-N 3.42Å; I535-I537 VanDerWaalsContact C-N 3.32Å; I535-I537 PolarHBondContact O-N 3.47Å; I535-N538 PolarHBondContact O-N 2.84Å; I535-E539 HydrophobicContact CG2-CG 4.08Å; I535-E539 WeakPolarHBondContact O-CB 3.32Å; I535-E539 WeakPolarHBondContact O-CG 3.43Å; I535-E539 PolarHBondContact O-N 2.93Å
536L84.7Confident74.6Confident0 Ų048.9 Ų48.90%026%0.258CS..Hα-helixtrans-56.8-44.9174.9-82170.9000111.7I446 V485 L500 V501 S504 F532 C533 S540I446-L536 HydrophobicContact CD1-CD1 4.09Å; V485-L536 HydrophobicContact CG1-CB 4.35Å; V485-L536 HydrophobicContact CG1-CD1 4.29Å; L500-L536 HydrophobicContact CD2-CD2 4.14Å; L500-L536 HydrophobicContact CG-CD2 3.87Å; V501-L536 HydrophobicContact CG2-CD2 4.37Å; S504-L536 WeakPolarHBondContact OG-CA 3.36Å; S504-L536 WeakPolarHBondContact OG-CD2 3.46Å; F532-L536 HydrophobicContact CD1-CD1 3.54Å; F532-L536 HydrophobicContact CD1-CG 3.75Å; F532-L536 HydrophobicContact CE1-CD1 3.53Å; F532-L536 HydrophobicContact CE1-CD2 3.93Å; F532-L536 HydrophobicContact CE1-CG 3.57Å; F532-L536 WeakPolarHBondContact O-CG 3.45Å; F532-L536 PolarHBondContact O-N 3.08Å; C533-L536 WeakPolarHBondContact O-CB 3.48Å; C533-L536 PolarHBondContact O-N 2.84Å; L536-S540 VanDerWaalsContact O-CB 3.3Å; L536-S540 WeakPolarHBondContact O-CB 3.29Å; L536-S540 PolarHBondContact O-N 3.01Å
537I83.8Confident74.7Confident47 Ų4746.4 Ų46.424%0.24125%0.245CC..Hα-helixtrans-64.6-47.4178.6-67165.1000109.9V485 C533 E534 I535 E539 S540 H541V485-I537 HydrophobicContact CG2-CD1 3.89Å; V485-I537 HydrophobicContact CG2-CG1 3.85Å; C533-I537 VanDerWaalsContact O-CG1 3.3Å; C533-I537 WeakPolarHBondContact O-CG1 3.46Å; C533-I537 PolarHBondContact O-N 3.06Å; E534-I537 PolarHBondContact O-N 3.44Å; I535-I537 VanDerWaalsContact C-N 3.32Å; I535-I537 PolarHBondContact O-N 3.47Å; I537-E539 VanDerWaalsContact C-N 3.35Å; I537-E539 PolarHBondContact O-N 2.86Å; I537-S540 WeakPolarHBondContact O-CB 3.16Å; I537-S540 PolarHBondContact O-N 3.3Å; I537-S540 VanDerWaalsContact O-N 3.16Å; I537-S540 PolarHBondContact O-OG 3.25Å; I537-H541 PolarHBondContact O-CD2 3.17Å; I537-H541 PolarHBondContact O-N 3.04Å
538N80.5Confident74.7Confident98 Ų9843.7 Ų43.752%0.52423%0.234SC..Hα-helixtrans-61.5-43179.3-71.1-19.6000112.1E534 I535 H541E534-N538 WeakPolarHBondContact O-CB 3.43Å; E534-N538 VanDerWaalsContact O-CG 3.27Å; E534-N538 PolarHBondContact O-N 3.03Å; E534-N538 PolarHBondContact O-ND2 3.01Å; I535-N538 PolarHBondContact O-N 2.84Å; N538-H541 PolarHBondContact O-N 3.18Å
539E75.7Confident73.9Confident14 Ų1443.8 Ų43.87%0.06524%0.235CC..Hα-helixtrans-70.4-31.6176.1-68.4-59.9157.600111.8L500 V503 I535 I537 H541 S542 Y543L500-E539 HydrophobicContact CD1-CB 4.05Å; V503-E539 HydrophobicContact CG1-CG 4.21Å; I535-E539 HydrophobicContact CG2-CG 4.08Å; I535-E539 WeakPolarHBondContact O-CB 3.32Å; I535-E539 WeakPolarHBondContact O-CG 3.43Å; I535-E539 PolarHBondContact O-N 2.93Å; I537-E539 VanDerWaalsContact C-N 3.35Å; I537-E539 PolarHBondContact O-N 2.86Å; E539-H541 PolarHBondContact O-N 3.46Å; E539-H541 VanDerWaalsContact O-N 3.15Å; E539-S542 CarbonylContact O-C 3.59Å; E539-S542 WeakPolarHBondContact O-CA 3.26Å; E539-S542 PolarHBondContact O-N 3.32Å; E539-Y543 HydrophobicContact CB-CD2 4.25Å; E539-Y543 WeakPolarHBondContact O-CB 3.22Å; E539-Y543 VanDerWaalsContact O-CD2 3.32Å; E539-Y543 WeakPolarHBondContact O-CD2 3.37Å; E539-Y543 PolarHBondContact O-N 3Å; E539-Y543 WeakPolarHBondContact OE2-CD2 3.32Å; E539-Y543 WeakPolarHBondContact OE2-CE2 3.38Å
540S78.8Confident73Confident11 Ų1148.9 Ų48.98%0.07726%0.259CS..Hα-helixtrans-60.5-28.3177.676.90000113.1Y492 L536 I537 S542 Y543Y492-S540 PolarHBondContact OH-O 2.91Å; L536-S540 VanDerWaalsContact O-CB 3.3Å; L536-S540 WeakPolarHBondContact O-CB 3.29Å; L536-S540 PolarHBondContact O-N 3.01Å; I537-S540 WeakPolarHBondContact O-CB 3.16Å; I537-S540 PolarHBondContact O-N 3.3Å; I537-S540 VanDerWaalsContact O-N 3.16Å; I537-S540 PolarHBondContact O-OG 3.25Å; S540-S542 VanDerWaalsContact C-N 3.31Å; S540-Y543 CarbonylContact O-C 3.54Å
541H71Confident72.1Confident117 Ų11746.4 Ų46.454%0.54224%0.244SC..Hα-helixtrans-68-30.8173.2-69.8-69.5000112.7R488 I537 N538 E539R488-H541 PolarHBondContact NH2-CE1 3.31Å; R488-H541 VanDerWaalsContact NH2-CE1 3.27Å; R488-H541 PolarHBondContact NH2-NE2 3.46Å; R488-H541 VanDerWaalsContact NH2-NE2 3.1Å; I537-H541 PolarHBondContact O-CD2 3.17Å; I537-H541 PolarHBondContact O-N 3.04Å; N538-H541 PolarHBondContact O-N 3.18Å; E539-H541 PolarHBondContact O-N 3.46Å; E539-H541 VanDerWaalsContact O-N 3.15Å
542S65Low71.6Confident70 Ų7045.1 Ų45.149%0.4923%0.234SC..Hα-helixtrans-90.4-29.9177.5-62.70000112.8E539 S540E539-S542 CarbonylContact O-C 3.59Å; E539-S542 WeakPolarHBondContact O-CA 3.26Å; E539-S542 PolarHBondContact O-N 3.32Å; S540-S542 VanDerWaalsContact C-N 3.31Å
543Y67.5Low70.9Confident8 Ų847.2 Ų47.23%0.03125%0.247CC..SBendtrans-111.875.7-174.5-68.7-100.7000110.1S92 R96 Y492 R499 V503 E539 S540S92-Y543 PolarHBondContact OG-OH 3.18Å; R96-Y543 PolarHBondContact NE-OH 2.85Å; R96-Y543 PolarHBondContact NH2-OH 2.7Å; Y492-Y543 WeakPolarHBondContact CE1-O 3.23Å; Y492-Y543 PolarHBondContact OH-O 3.01Å; R499-Y543 VanDerWaalsContact NH2-CE1 3.33Å; V503-Y543 HydrophobicContact CB-CE1 4.42Å; V503-Y543 HydrophobicContact CG1-CD2 4.08Å; V503-Y543 HydrophobicContact CG1-CE1 4.06Å; V503-Y543 HydrophobicContact CG1-CE2 3.52Å; V503-Y543 VanDerWaalsContact CG1-CZ 3.49Å; V503-Y543 HydrophobicContact CG2-CD1 4.13Å; V503-Y543 HydrophobicContact CG2-CE1 3.66Å; E539-Y543 HydrophobicContact CB-CD2 4.25Å; E539-Y543 WeakPolarHBondContact O-CB 3.22Å; E539-Y543 VanDerWaalsContact O-CD2 3.32Å; E539-Y543 WeakPolarHBondContact O-CD2 3.37Å; E539-Y543 PolarHBondContact O-N 3Å; E539-Y543 WeakPolarHBondContact OE2-CD2 3.32Å; E539-Y543 WeakPolarHBondContact OE2-CE2 3.38Å; S540-Y543 CarbonylContact O-C 3.54Å
544L67.5Low70Confident108 Ų10852 Ų5257%0.56528%0.281SS*.  trans-68.2151.1174-69.1170.3000111.4L548L544-L548 HydrophobicContact CD2-CD1 4.44Å
545P68Low69.5Low5 Ų547.9 Ų47.93%0.03226%0.264CS..  trans-66.2139.3179.130.7-38.4000111.1Y492 N547 L548Y492-P545 HydrophobicContact CD1-CB 4.11Å; Y492-P545 HydrophobicContact CD2-CB 4.12Å; Y492-P545 HydrophobicContact CD2-CG 4.13Å; Y492-P545 HydrophobicContact CE1-CB 4.29Å; Y492-P545 HydrophobicContact CE2-CB 4.33Å; Y492-P545 HydrophobicContact CE2-CG 4.04Å; Y492-P545 HydrophobicContact CG-CB 4Å; P545-N547 PolarHBondContact O-N 2.94Å; P545-L548 HydrophobicContact CG-CB 4.14Å; P545-L548 HydrophobicContact CG-CD1 3.33Å; P545-L548 HydrophobicContact CG-CG 3.5Å; P545-L548 VanDerWaalsContact CG-CG 3.5Å; P545-L548 PolarHBondContact O-N 3.09Å
546I63.4Low69.2Low75 Ų7554.7 Ų54.739%0.38530%0.296SS..THydrogen-bonded Turntrans-63.4-30.8-173-63.9165.5000111.8Y95 D496Y95-I546 HydrophobicContact CD1-CD1 3.73Å; Y95-I546 HydrophobicContact CE1-CD1 3.48Å; Y95-I546 VanDerWaalsContact CE1-CD1 3.48Å; D496-I546 VanDerWaalsContact OD1-CD1 3.23Å; D496-I546 WeakPolarHBondContact OD1-CD1 3.36Å; D496-I546 VanDerWaalsContact OD1-CG1 3.27Å; D496-I546 WeakPolarHBondContact OD1-CG1 3.41Å; D496-I546 PolarHBondContact OD1-N 3.15Å
547N62.1Low69Low21 Ų2159.6 Ų59.611%0.11233%0.328CS..THydrogen-bonded Turntrans-89.90.3-177.1-67.9-49.8000114.8L267 P268 T493 P545 S549 H657L267-N547 HydrophobicContact CD1-CB 4.31Å; L267-N547 HydrophobicContact CD2-CB 4.22Å; P268-N547 VanDerWaalsContact CD-OD1 3.24Å; P268-N547 WeakPolarHBondContact CD-OD1 3.14Å; P268-N547 WeakPolarHBondContact CG-OD1 3.38Å; P268-N547 PolarHBondContact O-ND2 2.8Å; T493-N547 WeakPolarHBondContact CG2-ND2 3.33Å; P545-N547 PolarHBondContact O-N 2.94Å; N547-S549 PolarHBondContact O-N 3.17Å; N547-H657 PolarHBondContact O-CD2 3.25Å
548L60.1Low69.2Low58 Ų5858.4 Ų58.430%0.30432%0.322SS..SBendtrans-61.498.5160.5-87.8171.4000105.8L544 P545 Q550 I552L544-L548 HydrophobicContact CD2-CD1 4.44Å; P545-L548 HydrophobicContact CG-CB 4.14Å; P545-L548 HydrophobicContact CG-CD1 3.33Å; P545-L548 HydrophobicContact CG-CG 3.5Å; P545-L548 VanDerWaalsContact CG-CG 3.5Å; P545-L548 PolarHBondContact O-N 3.09Å; L548-Q550 PolarHBondContact O-N 3.42Å; L548-I552 HydrophobicContact CD2-CB 3.99Å; L548-I552 HydrophobicContact CD2-CD1 4.21Å; L548-I552 HydrophobicContact CD2-CG2 3.59Å
549S55Low69.7Low22 Ų2260.9 Ų60.915%0.15432%0.324CS..  trans-52.6133172.673.10000105.6N547 H551 I552N547-S549 PolarHBondContact O-N 3.17Å; S549-H551 PolarHBondContact O-N 2.64Å; S549-I552 WeakPolarHBondContact O-CB 3.47Å; S549-I552 PolarHBondContact O-N 3.39Å; S549-I552 WeakPolarHBondContact OG-CD1 3.47Å; S549-I552 VanDerWaalsContact OG-CG1 3.23Å; S549-I552 WeakPolarHBondContact OG-CG1 3.48Å
550Q56.2Low70.5Confident113 Ų11360.8 Ų60.853%0.52832%0.323SS..THydrogen-bonded Turntrans-50.1-15.2178.260.3176.7-17.400114L548L548-Q550 PolarHBondContact O-N 3.42Å
551H61.6Low71Confident18 Ų1865.3 Ų65.38%0.08335%0.35CS..THydrogen-bonded Turntrans-82-24.8178.2-53.4-55.5000113.3S549 R638 N650 I654S549-H551 PolarHBondContact O-N 2.64Å; H551-R638 PolarHBondContact CE1-O 2.84Å; H551-R638 PolarHBondContact ND1-O 3.22Å; H551-N650 PolarHBondContact NE2-ND2 2.9Å; H551-N650 PolarHBondContact NE2-OD1 3.05Å; H551-I654 HydrophobicContact CB-CD1 3.98Å
552I68Low71.8Confident16 Ų1662.5 Ų62.58%0.08234%0.339CS..EExtended strand (participates in β ladder)trans-75128.7175.2-65.5161.6000108.7L548 S549 I632 A633 V634L548-I552 HydrophobicContact CD2-CB 3.99Å; L548-I552 HydrophobicContact CD2-CD1 4.21Å; L548-I552 HydrophobicContact CD2-CG2 3.59Å; S549-I552 WeakPolarHBondContact O-CB 3.47Å; S549-I552 PolarHBondContact O-N 3.39Å; S549-I552 WeakPolarHBondContact OG-CD1 3.47Å; S549-I552 VanDerWaalsContact OG-CG1 3.23Å; S549-I552 WeakPolarHBondContact OG-CG1 3.48Å; I552-I632 HydrophobicContact CD1-CG2 3.82Å; I552-I632 HydrophobicContact CG1-CG2 3.79Å; I552-I632 HydrophobicContact CG2-CG2 4.46Å; I552-A633 WeakPolarHBondContact CA-O 3.27Å; I552-V634 HydrophobicContact CG1-CG2 4.04Å
553T67.9Low73.1Confident47 Ų4759.4 Ų59.429%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-87.9128.2174.7-56.20000108V555 A633 R638T553-V555 HydrophobicContact CG2-CG2 4.34Å; T553-V555 WeakPolarHBondContact O-CG2 3.25Å; T553-V555 PolarHBondContact O-N 3.03Å; T553-A633 PolarHBondContact N-O 3.3Å; T553-R638 PolarHBondContact OG1-NH1 3.45Å
554S68.3Low73.9Confident106 Ų10659.4 Ų59.474%0.74132%0.32SS*.PPolyproline II helixtrans-70.1128.6169.157.90000108.6
555V72.9Confident74.9Confident44 Ų4454.7 Ų54.727%0.26730%0.298SS..  trans-125.4128.9-175.4-169.80000109.7T553 R621 L631 A633T553-V555 HydrophobicContact CG2-CG2 4.34Å; T553-V555 WeakPolarHBondContact O-CG2 3.25Å; T553-V555 PolarHBondContact O-N 3.03Å; V555-R621 HydrophobicContact CG1-CG 3.42Å; V555-R621 VanDerWaalsContact CG1-CG 3.42Å; V555-L631 HydrophobicContact CB-CD2 4.37Å; V555-L631 HydrophobicContact CG1-CD2 4.37Å; V555-A633 HydrophobicContact CG2-CB 3.57Å
556E75.8Confident75.9Confident150 Ų15055.3 Ų55.370%0.70130%0.299SS*.  trans-69.3141.2176.4-66.1178.5166.400110.8R621E556-R621 PolarHBondContact O-NE 2.77Å; E556-R621 PolarHBondContact O-NH2 2.78Å
557P80.1Confident77.2Confident104 Ų10460 Ų6068%0.67531%0.312SS*.  trans-61.1147.4175.727.8-34.4000110.3T625P557-T625 HydrophobicContact CB-CG2 3.82Å
558L87.3Confident78.6Confident22 Ų2265.4 Ų65.412%0.11534%0.337CS..  trans-144.6145.3-176.3-170.186.1000108.9D562 I563 M618 R621 A622 T625L558-D562 HydrophobicContact CD1-CB 3.47Å; L558-D562 VanDerWaalsContact CD1-CB 3.47Å; L558-D562 HydrophobicContact CD2-CB 4.49Å; L558-D562 HydrophobicContact CG-CB 3.78Å; L558-I563 HydrophobicContact CD2-CD1 4.36Å; L558-I563 HydrophobicContact CD2-CG1 4.09Å; L558-M618 HydrophobicContact CD2-CB 4.23Å; L558-M618 HydrophobicContact CD2-CG 3.06Å; L558-M618 HydrophobicContact CD2-SD 4.1Å; L558-M618 HydrophobicContact CG-CG 4.46Å; L558-R621 HydrophobicContact CB-CB 4.04Å; L558-R621 HydrophobicContact CD2-CB 4.34Å; L558-A622 HydrophobicContact CD2-CB 4.32Å; L558-A622 VanDerWaalsContact O-CA 3.28Å; L558-A622 WeakPolarHBondContact O-CA 3.42Å; L558-T625 PolarHBondContact N-OG1 2.92Å; L558-T625 WeakPolarHBondContact O-CB 3.39Å; L558-T625 WeakPolarHBondContact O-CG2 3.29Å; L558-T625 PolarHBondContact O-OG1 2.96Å
559R91.5Very high80.1Confident150 Ų15064 Ų6457%0.56633%0.329SS*.  trans-108166.3178.3-65.6-178.2-177.3-100.83.8112.4T561 D562 T625R559-T561 WeakPolarHBondContact CB-OG1 3.47Å; R559-T561 PolarHBondContact O-N 3.18Å; R559-D562 PolarHBondContact N-OD2 3.4Å; R559-D562 WeakPolarHBondContact O-CB 3.27Å; R559-D562 PolarHBondContact O-N 3.17Å; R559-T625 HydrophobicContact CG-CG2 4.47Å
560W91.9Very high81.9Confident11 Ų1164.6 Ų64.64%0.04233%0.329CS..G310 helixtrans-60.2-26174.1-69128.4000113.5D562 I563 K570 F573 F619 A622 L623 E626W560-D562 PolarHBondContact O-N 2.95Å; W560-I563 HydrophobicContact CE3-CD1 4.12Å; W560-I563 HydrophobicContact CZ3-CD1 4.14Å; W560-K570 HydrophobicContact CE3-CG 4.33Å; W560-K570 WeakPolarHBondContact O-CE 3.45Å; W560-K570 PolarHBondContact O-NZ 2.77Å; W560-K570 VanDerWaalsContact O-NZ 3.11Å; W560-F573 HydrophobicContact CH2-CB 3.93Å; W560-F573 HydrophobicContact CH2-CD1 4.01Å; W560-F573 HydrophobicContact CH2-CG 4.19Å; W560-F573 HydrophobicContact CZ2-CB 4.22Å; W560-F619 HydrophobicContact CH2-CD1 4.34Å; W560-F619 WeakPolarHBondContact CH2-O 3.46Å; W560-F619 AromaticContact CZ3-CD1 3.65Å; W560-F619 HydrophobicContact CZ3-CD1 3.65Å; W560-F619 HydrophobicContact CZ3-CE1 4.26Å; W560-A622 HydrophobicContact CD2-CB 3.95Å; W560-A622 HydrophobicContact CE3-CB 3.41Å; W560-A622 VanDerWaalsContact CE3-CB 3.41Å; W560-A622 HydrophobicContact CH2-CB 4Å; W560-A622 HydrophobicContact CZ2-CB 4.49Å; W560-A622 HydrophobicContact CZ3-CB 3.43Å; W560-A622 VanDerWaalsContact CZ3-CB 3.43Å; W560-L623 HydrophobicContact CH2-CB 3.9Å; W560-L623 HydrophobicContact CH2-CD1 4.5Å; W560-L623 HydrophobicContact CZ2-CB 4.01Å; W560-L623 HydrophobicContact CZ2-CD1 4.04Å; W560-E626 HydrophobicContact CD2-CG 4.34Å; W560-E626 HydrophobicContact CG-CG 3.96Å; W560-E626 PolarHBondContact N-OE1 3.23Å
561T89.9Confident83.7Confident106 Ų10663.5 Ų63.565%0.6533%0.327SS*.G310 helixtrans-68.1-24.3175.250.50000112.9R559 I563 L749R559-T561 WeakPolarHBondContact CB-OG1 3.47Å; R559-T561 PolarHBondContact O-N 3.18Å; T561-I563 VanDerWaalsContact C-N 3.3Å; T561-L749 WeakPolarHBondContact O-CD1 3.26Å
562D88.8Confident85.2Confident59 Ų5964.9 Ų64.932%0.31634%0.336SS..G310 helixtrans-85.5-9-175.8-53.7-29.6000112.3L558 R559 W560 L749L558-D562 HydrophobicContact CD1-CB 3.47Å; L558-D562 VanDerWaalsContact CD1-CB 3.47Å; L558-D562 HydrophobicContact CD2-CB 4.49Å; L558-D562 HydrophobicContact CG-CB 3.78Å; R559-D562 PolarHBondContact N-OD2 3.4Å; R559-D562 WeakPolarHBondContact O-CB 3.27Å; R559-D562 PolarHBondContact O-N 3.17Å; W560-D562 PolarHBondContact O-N 2.95Å; D562-L749 VanDerWaalsContact C-CD1 3.5Å; D562-L749 VanDerWaalsContact O-CD1 3.29Å; D562-L749 WeakPolarHBondContact O-CD1 3.47Å
563I90.4Very high86.4Confident4 Ų464.1 Ų64.12%0.02133%0.332CS..SBendtrans-97.2122.1174.7-50.7-169.4000108.1L558 W560 T561 Y566 K570 M618 F619 A622L558-I563 HydrophobicContact CD2-CD1 4.36Å; L558-I563 HydrophobicContact CD2-CG1 4.09Å; W560-I563 HydrophobicContact CE3-CD1 4.12Å; W560-I563 HydrophobicContact CZ3-CD1 4.14Å; T561-I563 VanDerWaalsContact C-N 3.3Å; I563-Y566 HydrophobicContact CG2-CD2 4.46Å; I563-K570 PolarHBondContact O-NZ 3.36Å; I563-M618 HydrophobicContact CB-SD 4.35Å; I563-M618 HydrophobicContact CD1-CB 4.36Å; I563-M618 HydrophobicContact CD1-CG 3.91Å; I563-M618 HydrophobicContact CD1-SD 4.34Å; I563-M618 HydrophobicContact CG1-CG 3.85Å; I563-M618 HydrophobicContact CG1-SD 3.76Å; I563-M618 HydrophobicContact CG2-SD 4.39Å; I563-F619 HydrophobicContact CD1-CD1 4.23Å; I563-F619 HydrophobicContact CD1-CD2 4.48Å; I563-F619 HydrophobicContact CD1-CE1 4.47Å; I563-F619 HydrophobicContact CD1-CG 4.2Å; I563-F619 HydrophobicContact CG2-CE2 4.28Å; I563-F619 HydrophobicContact CG2-CZ 4.14Å; I563-A622 HydrophobicContact CD1-CB 3.76Å; I563-A622 HydrophobicContact CG1-CB 4.47Å
564G86Confident87.5Confident8 Ų865.8 Ų65.88%0.08234%0.336CS..  trans-74.8133.9174.300000112.1Y566G564-Y566 WeakPolarHBondContact O-CD2 3.45Å
565G87.7Confident88.6Confident10 Ų1063.3 Ų63.310%0.10332%0.316CS..SBendtrans70.2-146.3171.600000116.2R567 K570 D745G565-R567 PolarHBondContact O-N 3.46Å; G565-K570 WeakPolarHBondContact O-CD 3.43Å; G565-K570 WeakPolarHBondContact O-CE 3.32Å; G565-K570 PolarHBondContact O-NZ 2.72Å; G565-D745 PolarHBondContact N-OD2 3.42Å
566Y89.3Confident89.3Confident18 Ų1865.6 Ų65.67%0.07133%0.325CS..  trans53.245.4178.6-64-74.6000114.4I563 G564 E568 L569 K570 F619 S736 P738 I746I563-Y566 HydrophobicContact CG2-CD2 4.46Å; G564-Y566 WeakPolarHBondContact O-CD2 3.45Å; Y566-E568 VanDerWaalsContact C-N 3.3Å; Y566-E568 PolarHBondContact O-N 2.91Å; Y566-L569 HydrophobicContact CD1-CD1 3.72Å; Y566-L569 HydrophobicContact CE1-CD1 4.3Å; Y566-L569 HydrophobicContact CG-CD1 4.43Å; Y566-L569 PolarHBondContact O-N 3.3Å; Y566-K570 WeakPolarHBondContact O-CB 3.35Å; Y566-K570 WeakPolarHBondContact O-CG 3.14Å; Y566-K570 PolarHBondContact O-N 2.75Å; Y566-F619 HydrophobicContact CD2-CE2 4.19Å; Y566-F619 HydrophobicContact CD2-CZ 4.03Å; Y566-F619 HydrophobicContact CG-CE2 4.35Å; Y566-F619 AromaticContact CG-CZ 3.92Å; Y566-F619 HydrophobicContact CG-CZ 3.92Å; Y566-S736 VanDerWaalsContact CE1-O 3.26Å; Y566-S736 WeakPolarHBondContact CE1-O 3.2Å; Y566-S736 PolarHBondContact OH-O 2.83Å; Y566-P738 HydrophobicContact CE1-CB 4.41Å; Y566-P738 HydrophobicContact CE2-CB 4.33Å; Y566-P738 WeakPolarHBondContact OH-CB 3.47Å; Y566-P738 VanDerWaalsContact OH-CD 3.28Å; Y566-P738 WeakPolarHBondContact OH-CD 3.28Å; Y566-I746 HydrophobicContact CE2-CD1 4.47Å
567R89.9Confident90Very high173 Ų17358.4 Ų58.465%0.65329%0.291SS*.Hα-helixtrans-54.9-44-173.8-170.5-174.163.574.57.8112.8G565 L571G565-R567 PolarHBondContact O-N 3.46Å; R567-L571 WeakPolarHBondContact O-CB 3.46Å; R567-L571 PolarHBondContact O-N 2.59Å
568E91.1Very high90.5Very high135 Ų13555 Ų5563%0.63127%0.266SS*.Hα-helixtrans-71-42.2-178.3-64.8-176.6171.500112.6Y566 L571 T572Y566-E568 VanDerWaalsContact C-N 3.3Å; Y566-E568 PolarHBondContact O-N 2.91Å; E568-L571 PolarHBondContact O-N 3.3Å; E568-T572 PolarHBondContact O-N 3.06Å; E568-T572 PolarHBondContact O-OG1 3.27Å
569L91.8Very high90.6Very high27 Ų2757.9 Ų57.914%0.14128%0.282CS..Hα-helixtrans-64.7-44.6174.8-67.5-178000111.1Y566 L571 T572 F573 F619 I733 E734 V735Y566-L569 HydrophobicContact CD1-CD1 3.72Å; Y566-L569 HydrophobicContact CE1-CD1 4.3Å; Y566-L569 HydrophobicContact CG-CD1 4.43Å; Y566-L569 PolarHBondContact O-N 3.3Å; L569-L571 VanDerWaalsContact C-N 3.27Å; L569-L571 PolarHBondContact O-N 2.78Å; L569-T572 WeakPolarHBondContact O-CB 3.48Å; L569-T572 PolarHBondContact O-N 3.48Å; L569-T572 VanDerWaalsContact O-N 3.09Å; L569-F573 WeakPolarHBondContact O-CD2 3.5Å; L569-F573 PolarHBondContact O-N 3.03Å; L569-F619 HydrophobicContact CB-CE1 4.35Å; L569-F619 HydrophobicContact CB-CZ 4.35Å; L569-I733 HydrophobicContact CD2-CG2 4.12Å; L569-E734 WeakPolarHBondContact CD2-O 3.24Å; L569-V735 HydrophobicContact CD1-CB 4.46Å; L569-V735 HydrophobicContact CD1-CG1 4.12Å
570K93.4Very high90.4Very high35 Ų3552.8 Ų52.815%0.15226%0.262CS..Hα-helixtrans-57-42.5174.4-74.8176.9176.9173.80111.7W560 I563 G565 Y566 T572 F573 K574 F619W560-K570 HydrophobicContact CE3-CG 4.33Å; W560-K570 WeakPolarHBondContact O-CE 3.45Å; W560-K570 PolarHBondContact O-NZ 2.77Å; W560-K570 VanDerWaalsContact O-NZ 3.11Å; I563-K570 PolarHBondContact O-NZ 3.36Å; G565-K570 WeakPolarHBondContact O-CD 3.43Å; G565-K570 WeakPolarHBondContact O-CE 3.32Å; G565-K570 PolarHBondContact O-NZ 2.72Å; Y566-K570 WeakPolarHBondContact O-CB 3.35Å; Y566-K570 WeakPolarHBondContact O-CG 3.14Å; Y566-K570 PolarHBondContact O-N 2.75Å; K570-T572 VanDerWaalsContact C-N 3.33Å; K570-F573 PolarHBondContact O-N 3.17Å; K570-K574 WeakPolarHBondContact O-CB 3.42Å; K570-K574 VanDerWaalsContact O-CG 3.26Å; K570-K574 WeakPolarHBondContact O-CG 3.14Å; K570-K574 PolarHBondContact O-N 2.96Å; K570-F619 HydrophobicContact CG-CE1 3.87Å
571L93.7Very high90.1Very high91 Ų9152.9 Ų52.948%0.47626%0.264SS..Hα-helixtrans-64.7-39176.9-172.7140.9000111.6R567 E568 L569 K574 T575R567-L571 WeakPolarHBondContact O-CB 3.46Å; R567-L571 PolarHBondContact O-N 2.59Å; E568-L571 PolarHBondContact O-N 3.3Å; L569-L571 VanDerWaalsContact C-N 3.27Å; L569-L571 PolarHBondContact O-N 2.78Å; L571-K574 PolarHBondContact O-N 3.18Å; L571-T575 HydrophobicContact CD2-CG2 4.11Å; L571-T575 HydrophobicContact CG-CG2 4.28Å; L571-T575 WeakPolarHBondContact O-CB 3.36Å; L571-T575 WeakPolarHBondContact O-CG2 3.35Å; L571-T575 PolarHBondContact O-N 3.14Å; L571-T575 PolarHBondContact O-OG1 3.2Å
572T92.7Very high89.9Confident46 Ų4651 Ų5128%0.28225%0.252SS..Hα-helixtrans-61.9-48.3174.6-54.50000111.1E568 L569 K570 K574 T575 M576E568-T572 PolarHBondContact O-N 3.06Å; E568-T572 PolarHBondContact O-OG1 3.27Å; L569-T572 WeakPolarHBondContact O-CB 3.48Å; L569-T572 PolarHBondContact O-N 3.48Å; L569-T572 VanDerWaalsContact O-N 3.09Å; K570-T572 VanDerWaalsContact C-N 3.33Å; T572-K574 VanDerWaalsContact C-N 3.33Å; T572-K574 PolarHBondContact O-N 3.14Å; T572-T575 PolarHBondContact O-OG1 2.8Å; T572-M576 HydrophobicContact CG2-CG 4.17Å; T572-M576 WeakPolarHBondContact O-CB 3.41Å; T572-M576 WeakPolarHBondContact O-CG 3.32Å; T572-M576 PolarHBondContact O-N 3.3Å
573F93.2Very high89.7Confident1 Ų148.7 Ų48.70%0.00424%0.241CC..Hα-helixtrans-60.6-41.6176-89-105.2000112.3W560 L569 K570 I577 Q578 L608 F619 L623 I733W560-F573 HydrophobicContact CH2-CB 3.93Å; W560-F573 HydrophobicContact CH2-CD1 4.01Å; W560-F573 HydrophobicContact CH2-CG 4.19Å; W560-F573 HydrophobicContact CZ2-CB 4.22Å; L569-F573 WeakPolarHBondContact O-CD2 3.5Å; L569-F573 PolarHBondContact O-N 3.03Å; K570-F573 PolarHBondContact O-N 3.17Å; F573-I577 HydrophobicContact CD1-CD1 3.73Å; F573-I577 HydrophobicContact CE1-CD1 4.16Å; F573-I577 HydrophobicContact CG-CD1 4.2Å; F573-I577 WeakPolarHBondContact O-CB 3.41Å; F573-I577 PolarHBondContact O-N 2.8Å; F573-I577 VanDerWaalsContact O-N 3.12Å; F573-Q578 PolarHBondContact O-N 2.99Å; F573-Q578 VanDerWaalsContact O-N 3.09Å; F573-L608 HydrophobicContact CE1-CD1 4.44Å; F573-L608 HydrophobicContact CE1-CD2 4.31Å; F573-L608 HydrophobicContact CE2-CD2 4.26Å; F573-L608 HydrophobicContact CZ-CD1 3.96Å; F573-L608 HydrophobicContact CZ-CD2 3.52Å; F573-L608 HydrophobicContact CZ-CG 4.41Å; F573-F619 HydrophobicContact CD2-CD1 4.17Å; F573-F619 HydrophobicContact CE1-CB 4.04Å; F573-F619 HydrophobicContact CE2-CB 4.49Å; F573-F619 HydrophobicContact CE2-CD1 4.07Å; F573-F619 HydrophobicContact CE2-CG 4.41Å; F573-F619 HydrophobicContact CG-CD1 4.44Å; F573-F619 HydrophobicContact CZ-CB 3.9Å; F573-F619 HydrophobicContact CZ-CD1 4.28Å; F573-F619 HydrophobicContact CZ-CG 4.29Å; F573-L623 HydrophobicContact CD1-CD1 4.48Å; F573-L623 HydrophobicContact CD1-CD2 4.28Å; F573-I733 HydrophobicContact CD2-CD1 4.06Å; F573-I733 HydrophobicContact CE2-CD1 3.72Å; F573-I733 HydrophobicContact CE2-CG2 4.02Å; F573-I733 HydrophobicContact CZ-CD1 4.03Å
574K92.6Very high89.2Confident82 Ų8250.7 Ų50.736%0.35726%0.257SS..Iπ-helixtrans-62.9-57.4177.8-75.2178.2176.6-166.90111.4K570 L571 T572 Q578 D579K570-K574 WeakPolarHBondContact O-CB 3.42Å; K570-K574 VanDerWaalsContact O-CG 3.26Å; K570-K574 WeakPolarHBondContact O-CG 3.14Å; K570-K574 PolarHBondContact O-N 2.96Å; L571-K574 PolarHBondContact O-N 3.18Å; T572-K574 VanDerWaalsContact C-N 3.33Å; T572-K574 PolarHBondContact O-N 3.14Å; K574-Q578 WeakPolarHBondContact O-CB 3.48Å; K574-Q578 PolarHBondContact O-N 3.04Å; K574-Q578 VanDerWaalsContact O-N 3.13Å; K574-D579 VanDerWaalsContact O-CG 3.26Å; K574-D579 PolarHBondContact O-N 3.15Å
575T90.3Very high88.9Confident53 Ų5354 Ų5433%0.32528%0.284SS..Iπ-helixtrans-69.7-38.9-174.354.80000114.2L571 T572 D579 R580L571-T575 HydrophobicContact CD2-CG2 4.11Å; L571-T575 HydrophobicContact CG-CG2 4.28Å; L571-T575 WeakPolarHBondContact O-CB 3.36Å; L571-T575 WeakPolarHBondContact O-CG2 3.35Å; L571-T575 PolarHBondContact O-N 3.14Å; L571-T575 PolarHBondContact O-OG1 3.2Å; T572-T575 PolarHBondContact O-OG1 2.8Å; T575-D579 WeakPolarHBondContact CA-OD2 3.42Å; T575-R580 PolarHBondContact O-NE 2.98Å
576M88.2Confident88.7Confident92 Ų9259.9 Ų59.945%0.45331%0.307SS..Iπ-helixtrans-88.2-23.2-175.4-65.5-69.3-16900113.5T572 R580 L731T572-M576 HydrophobicContact CG2-CG 4.17Å; T572-M576 WeakPolarHBondContact O-CB 3.41Å; T572-M576 WeakPolarHBondContact O-CG 3.32Å; T572-M576 PolarHBondContact O-N 3.3Å; M576-R580 WeakPolarHBondContact O-CG 3.26Å; M576-L731 HydrophobicContact CB-CD2 4.06Å
577I90.2Very high88.1Confident0 Ų063.4 Ų63.40%033%0.332CS..Iπ-helixtrans-124.2-59.5-173.4-48.5161000111.5F573 R580 L581 P603 I606 L623 L731 I733F573-I577 HydrophobicContact CD1-CD1 3.73Å; F573-I577 HydrophobicContact CE1-CD1 4.16Å; F573-I577 HydrophobicContact CG-CD1 4.2Å; F573-I577 WeakPolarHBondContact O-CB 3.41Å; F573-I577 PolarHBondContact O-N 2.8Å; F573-I577 VanDerWaalsContact O-N 3.12Å; I577-R580 PolarHBondContact O-N 2.76Å; I577-L581 HydrophobicContact CG2-CD1 4Å; I577-L581 WeakPolarHBondContact O-CB 3.47Å; I577-L581 WeakPolarHBondContact O-CG 3.24Å; I577-L581 PolarHBondContact O-N 3.35Å; I577-P603 HydrophobicContact CG1-CG 4.32Å; I577-I606 HydrophobicContact CD1-CD1 3.55Å; I577-I606 HydrophobicContact CD1-CG1 4.45Å; I577-I606 HydrophobicContact CD1-CG2 4.48Å; I577-I606 HydrophobicContact CG1-CD1 3.8Å; I577-I606 HydrophobicContact CG2-CD1 3.96Å; I577-L623 HydrophobicContact CB-CD1 4.11Å; I577-L623 HydrophobicContact CB-CD2 4.43Å; I577-L623 HydrophobicContact CD1-CD2 4.18Å; I577-L623 HydrophobicContact CG2-CD1 3.97Å; I577-L623 HydrophobicContact CG2-CD2 3.78Å; I577-L623 HydrophobicContact CG2-CG 4.41Å; I577-L731 HydrophobicContact CD1-CD2 4.03Å; I577-L731 HydrophobicContact CG1-CD2 3.81Å; I577-I733 HydrophobicContact CD1-CD1 4.28Å
578Q90.6Very high87.9Confident31 Ų3162.3 Ų62.315%0.14534%0.339CS..Iπ-helixtrans-62.5-52-175.4-179174.2-10.600111.7F573 K574 R580 L581 V582 L623F573-Q578 PolarHBondContact O-N 2.99Å; F573-Q578 VanDerWaalsContact O-N 3.09Å; K574-Q578 WeakPolarHBondContact O-CB 3.48Å; K574-Q578 PolarHBondContact O-N 3.04Å; K574-Q578 VanDerWaalsContact O-N 3.13Å; Q578-R580 VanDerWaalsContact C-N 3.27Å; Q578-R580 PolarHBondContact O-N 3.43Å; Q578-L581 WeakPolarHBondContact O-CB 3.38Å; Q578-L581 PolarHBondContact O-N 3.35Å; Q578-L581 VanDerWaalsContact O-N 3.14Å; Q578-V582 WeakPolarHBondContact O-CG2 3.37Å; Q578-V582 PolarHBondContact O-N 3Å; Q578-L623 HydrophobicContact CB-CD1 4.27Å
579D90.4Very high87.7Confident83 Ų8357.3 Ų57.344%0.44432%0.319SS..Hα-helixtrans-63.4-37.2-177.7-63.7-15.4000110.6K574 T575 V582 S583K574-D579 VanDerWaalsContact O-CG 3.26Å; K574-D579 PolarHBondContact O-N 3.15Å; T575-D579 WeakPolarHBondContact CA-OD2 3.42Å; D579-V582 PolarHBondContact O-N 2.91Å; D579-S583 WeakPolarHBondContact O-CB 3.35Å; D579-S583 PolarHBondContact O-N 2.89Å; D579-S583 PolarHBondContact O-OG 2.83Å
580R86.5Confident87.5Confident43 Ų4362.5 Ų62.516%0.16235%0.346CS..Hα-helixtrans-64.9-40174.8-54-57176.6178.4-5.9113T575 M576 I577 Q578 S583 A584 D595 V602T575-R580 PolarHBondContact O-NE 2.98Å; M576-R580 WeakPolarHBondContact O-CG 3.26Å; I577-R580 PolarHBondContact O-N 2.76Å; Q578-R580 VanDerWaalsContact C-N 3.27Å; Q578-R580 PolarHBondContact O-N 3.43Å; R580-S583 PolarHBondContact O-OG 2.99Å; R580-A584 WeakPolarHBondContact O-CB 3.33Å; R580-A584 PolarHBondContact O-N 3.01Å; R580-D595 IonicContact CZ-OD1 2.74Å; R580-D595 IonicContact NH1-OD1 4Å; R580-D595 PolarHBondContact NH1-OD1 2.96Å; R580-D595 IonicContact NH1-OD2 3.88Å; R580-D595 PolarHBondContact NH1-OD2 3.17Å; R580-D595 VanDerWaalsContact NH1-OD2 3.12Å; R580-V602 HydrophobicContact CB-CG2 3.98Å; R580-V602 WeakPolarHBondContact O-CG2 2.96Å
581L85.6Confident87.1Confident14 Ų1465.9 Ų65.97%0.07337%0.366CS..Hα-helixtrans-67.4-42.7176.3-85.1171.2000111.3I577 Q578 A584 A585 V602 C627 L629 I708I577-L581 HydrophobicContact CG2-CD1 4Å; I577-L581 WeakPolarHBondContact O-CB 3.47Å; I577-L581 WeakPolarHBondContact O-CG 3.24Å; I577-L581 PolarHBondContact O-N 3.35Å; Q578-L581 WeakPolarHBondContact O-CB 3.38Å; Q578-L581 PolarHBondContact O-N 3.35Å; Q578-L581 VanDerWaalsContact O-N 3.14Å; L581-A584 PolarHBondContact O-N 2.85Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 2.87Å; L581-V602 HydrophobicContact CD2-CG1 4.03Å; L581-V602 HydrophobicContact CG-CG1 4.27Å; L581-C627 HydrophobicContact CD1-CB 4.38Å; L581-L629 HydrophobicContact CD1-CD1 3.85Å; L581-L629 HydrophobicContact CD2-CD1 4.19Å; L581-I708 HydrophobicContact CD1-CD1 3.76Å; L581-I708 HydrophobicContact CD2-CD1 3.47Å; L581-I708 VanDerWaalsContact CD2-CD1 3.47Å; L581-I708 HydrophobicContact CG-CD1 3.84Å
582V85.4Confident86.5Confident67 Ų6762.3 Ų62.341%0.40635%0.349SS..Hα-helixtrans-68-41178.9174.40000111.1Q578 D579 A585 K586Q578-V582 WeakPolarHBondContact O-CG2 3.37Å; Q578-V582 PolarHBondContact O-N 3Å; D579-V582 PolarHBondContact O-N 2.91Å; V582-A585 PolarHBondContact O-N 2.92Å; V582-K586 PolarHBondContact O-N 2.8Å
583S84.1Confident86.2Confident10 Ų1066 Ų667%0.0736%0.363CS..Hα-helixtrans-65-42.1175.171.50000111.2D579 R580 A585 K586 A592 D595D579-S583 WeakPolarHBondContact O-CB 3.35Å; D579-S583 PolarHBondContact O-N 2.89Å; D579-S583 PolarHBondContact O-OG 2.83Å; R580-S583 PolarHBondContact O-OG 2.99Å; S583-A585 VanDerWaalsContact C-N 3.33Å; S583-A585 PolarHBondContact O-N 2.77Å; S583-K586 CarbonylContact O-C 3.54Å; S583-K586 PolarHBondContact O-N 2.96Å; S583-K586 VanDerWaalsContact O-N 3.08Å; S583-A592 WeakPolarHBondContact O-CB 3.42Å; S583-D595 PolarHBondContact OG-OD2 2.94Å
584A80.6Confident85.9Confident45 Ų4567.9 Ų67.937%0.37238%0.379SS..Hα-helixtrans-63-35.6175.600000113.2R580 L581 K586 V602R580-A584 WeakPolarHBondContact O-CB 3.33Å; R580-A584 PolarHBondContact O-N 3.01Å; L581-A584 PolarHBondContact O-N 2.85Å; A584-K586 VanDerWaalsContact C-N 3.26Å; A584-K586 PolarHBondContact O-N 2.76Å; A584-V602 HydrophobicContact CB-CG2 3.82Å
585A79.4Confident85.6Confident78 Ų7865.1 Ų65.165%0.64537%0.368SS*.Hα-helixtrans-70.2-21.5175.200000113.1L581 V582 S583L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 2.87Å; V582-A585 PolarHBondContact O-N 2.92Å; S583-A585 VanDerWaalsContact C-N 3.33Å; S583-A585 PolarHBondContact O-N 2.77Å
586K83.1Confident85.3Confident133 Ų13366 Ų6658%0.57838%0.381SS*.  trans-124.977.5-176.7-64.8-179.2-176.9176.70111.2V582 S583 A584 N588 S589 A592V582-K586 PolarHBondContact O-N 2.8Å; S583-K586 CarbonylContact O-C 3.54Å; S583-K586 PolarHBondContact O-N 2.96Å; S583-K586 VanDerWaalsContact O-N 3.08Å; A584-K586 VanDerWaalsContact C-N 3.26Å; A584-K586 PolarHBondContact O-N 2.76Å; K586-N588 PolarHBondContact O-N 2.83Å; K586-N588 VanDerWaalsContact O-N 3.1Å; K586-S589 VanDerWaalsContact O-CB 3.32Å; K586-S589 WeakPolarHBondContact O-CB 3.4Å; K586-S589 PolarHBondContact O-N 2.77Å; K586-S589 PolarHBondContact O-OG 3.17Å; K586-A592 VanDerWaalsContact O-CB 3.31Å; K586-A592 WeakPolarHBondContact O-CB 3.36Å
587P77.4Confident85.2Confident92 Ų9265.6 Ų65.660%0.59739%0.392SS*.THydrogen-bonded Turntrans-61.7-24.4-174.323.8-34.4000114.3S589P587-S589 VanDerWaalsContact C-N 3.33Å
588N84.9Confident85.2Confident151 Ų15171.3 Ų71.381%0.80742%0.422SS*.THydrogen-bonded Turntrans-85.5-2.8179.4-62.7-13.4000113.5K586K586-N588 PolarHBondContact O-N 2.83Å; K586-N588 VanDerWaalsContact O-N 3.1Å
589S87.2Confident84.9Confident29 Ų2980 Ų8020%0.20345%0.454CS..SBendtrans-73.5153.4179.366.50000112K586 P587 D591 A592 Q593K586-S589 VanDerWaalsContact O-CB 3.32Å; K586-S589 WeakPolarHBondContact O-CB 3.4Å; K586-S589 PolarHBondContact O-N 2.77Å; K586-S589 PolarHBondContact O-OG 3.17Å; P587-S589 VanDerWaalsContact C-N 3.33Å; S589-D591 PolarHBondContact O-N 2.77Å; S589-A592 PolarHBondContact O-N 3.19Å; S589-A592 VanDerWaalsContact OG-CB 3.3Å; S589-A592 WeakPolarHBondContact OG-CB 3.44Å; S589-A592 PolarHBondContact OG-N 3.32Å; S589-Q593 PolarHBondContact O-N 2.91Å; S589-Q593 VanDerWaalsContact O-N 3.13Å
590L87.3Confident84.6Confident136 Ų13679.5 Ų79.571%0.71245%0.45SS*.Hα-helixtrans-61.1-36.9176.5-175.1134.5000111.5Q593 A594L590-Q593 PolarHBondContact O-N 3.4Å; L590-A594 PolarHBondContact O-N 3.46Å
591D85.4Confident84.3Confident107 Ų10787.6 Ų87.657%0.57248%0.481SS*.Hα-helixtrans-64.8-39.6176.4-57.1-36.1000111.6S589 Q593 A594 D595S589-D591 PolarHBondContact O-N 2.77Å; D591-Q593 VanDerWaalsContact C-N 3.34Å; D591-Q593 PolarHBondContact O-N 3.09Å; D591-A594 PolarHBondContact O-N 3.48Å; D591-D595 WeakPolarHBondContact O-CB 3.39Å; D591-D595 VanDerWaalsContact O-CG 3.23Å; D591-D595 PolarHBondContact O-N 3.45Å
592A82Confident84.2Confident15 Ų1588.3 Ų88.312%0.12449%0.486CS..Hα-helixtrans-65.3-37175.300000112.5S583 K586 S589 D595 A596S583-A592 WeakPolarHBondContact O-CB 3.42Å; K586-A592 VanDerWaalsContact O-CB 3.31Å; K586-A592 WeakPolarHBondContact O-CB 3.36Å; S589-A592 PolarHBondContact O-N 3.19Å; S589-A592 VanDerWaalsContact OG-CB 3.3Å; S589-A592 WeakPolarHBondContact OG-CB 3.44Å; S589-A592 PolarHBondContact OG-N 3.32Å; A592-D595 PolarHBondContact O-N 2.89Å; A592-A596 WeakPolarHBondContact O-CB 3.26Å; A592-A596 PolarHBondContact O-N 3.15Å
593Q85.5Confident84.1Confident124 Ų12485.8 Ų85.858%0.57947%0.471SS*.Hα-helixtrans-68-41.2174.5-66.517721.800111.6S589 L590 D591 D595 A596 A597S589-Q593 PolarHBondContact O-N 2.91Å; S589-Q593 VanDerWaalsContact O-N 3.13Å; L590-Q593 PolarHBondContact O-N 3.4Å; D591-Q593 VanDerWaalsContact C-N 3.34Å; D591-Q593 PolarHBondContact O-N 3.09Å; Q593-D595 VanDerWaalsContact C-N 3.34Å; Q593-A596 PolarHBondContact O-N 3.45Å; Q593-A597 VanDerWaalsContact O-CB 3.29Å; Q593-A597 WeakPolarHBondContact O-CB 3.43Å; Q593-A597 PolarHBondContact O-N 2.8Å
594A88.1Confident83.9Confident40 Ų4091.2 Ų91.233%0.33149%0.49SS..Hα-helixtrans-61.7-44173.500000111.1L590 D591 A596 A597 L598L590-A594 PolarHBondContact O-N 3.46Å; D591-A594 PolarHBondContact O-N 3.48Å; A594-A596 PolarHBondContact O-N 2.86Å; A594-A597 PolarHBondContact O-N 2.83Å; A594-L598 VanDerWaalsContact O-CB 3.3Å; A594-L598 WeakPolarHBondContact O-CB 3.06Å; A594-L598 VanDerWaalsContact O-CG 3.25Å; A594-L598 WeakPolarHBondContact O-CG 3.29Å; A594-L598 PolarHBondContact O-N 3.35Å
595D85.6Confident84.2Confident24 Ų2489 Ų8913%0.12847%0.472CS..Hα-helixtrans-63.4-42.5177-75.2-1.1000111.8R580 S583 D591 A592 Q593 L598 R599 L600R580-D595 IonicContact CZ-OD1 2.74Å; R580-D595 IonicContact NH1-OD1 4Å; R580-D595 PolarHBondContact NH1-OD1 2.96Å; R580-D595 IonicContact NH1-OD2 3.88Å; R580-D595 PolarHBondContact NH1-OD2 3.17Å; R580-D595 VanDerWaalsContact NH1-OD2 3.12Å; S583-D595 PolarHBondContact OG-OD2 2.94Å; D591-D595 WeakPolarHBondContact O-CB 3.39Å; D591-D595 VanDerWaalsContact O-CG 3.23Å; D591-D595 PolarHBondContact O-N 3.45Å; A592-D595 PolarHBondContact O-N 2.89Å; Q593-D595 VanDerWaalsContact C-N 3.34Å; D595-L598 CarbonylContact O-C 3.57Å; D595-L598 PolarHBondContact O-N 2.92Å; D595-R599 CarbonylContact O-C 3.58Å; D595-R599 WeakPolarHBondContact O-CA 3.37Å; D595-R599 PolarHBondContact O-N 2.9Å; D595-L600 HydrophobicContact CB-CB 4.32Å; D595-L600 PolarHBondContact O-N 3.47Å
596A83.6Confident84.7Confident72 Ų7285.4 Ų85.460%0.59544%0.441SS*.Hα-helixtrans-63.7-43.2174.500000112.1A592 Q593 A594 R599A592-A596 WeakPolarHBondContact O-CB 3.26Å; A592-A596 PolarHBondContact O-N 3.15Å; Q593-A596 PolarHBondContact O-N 3.45Å; A594-A596 PolarHBondContact O-N 2.86Å; A596-R599 PolarHBondContact O-N 3.4Å
597A87.4Confident85.1Confident83 Ų8379.5 Ų79.569%0.68642%0.416SS*.Hα-helixtrans-65.3-40.117800000112.1Q593 A594 R599Q593-A597 VanDerWaalsContact O-CB 3.29Å; Q593-A597 WeakPolarHBondContact O-CB 3.43Å; Q593-A597 PolarHBondContact O-N 2.8Å; A594-A597 PolarHBondContact O-N 2.83Å; A597-R599 VanDerWaalsContact C-N 3.27Å; A597-R599 PolarHBondContact O-N 2.89Å
598L89.9Confident85.8Confident120 Ų12075.1 Ų75.163%0.62839%0.388SS*.THydrogen-bonded Turntrans-83.8-1.3177-63.3174.2000113.1A594 D595 L600A594-L598 VanDerWaalsContact O-CB 3.3Å; A594-L598 WeakPolarHBondContact O-CB 3.06Å; A594-L598 VanDerWaalsContact O-CG 3.25Å; A594-L598 WeakPolarHBondContact O-CG 3.29Å; A594-L598 PolarHBondContact O-N 3.35Å; D595-L598 CarbonylContact O-C 3.57Å; D595-L598 PolarHBondContact O-N 2.92Å; L598-L600 HydrophobicContact CB-CD1 3.55Å; L598-L600 HydrophobicContact CB-CG 3.7Å; L598-L600 HydrophobicContact CD1-CD1 3.75Å; L598-L600 HydrophobicContact CG-CD1 4.31Å; L598-L600 PolarHBondContact O-N 3.09Å
599R83.6Confident86Confident215 Ų21569.1 Ų69.181%0.81136%0.355SS*.THydrogen-bonded Turntrans5434.5-176.5-59-178.9176.5173.8-0.7113.5D595 A596 A597D595-R599 CarbonylContact O-C 3.58Å; D595-R599 WeakPolarHBondContact O-CA 3.37Å; D595-R599 PolarHBondContact O-N 2.9Å; A596-R599 PolarHBondContact O-N 3.4Å; A597-R599 VanDerWaalsContact C-N 3.27Å; A597-R599 PolarHBondContact O-N 2.89Å
600L83.9Confident86.1Confident71 Ų7167.7 Ų67.737%0.37235%0.345SS..  trans-80.2135.8177.1-60.2167.3000108.8D595 L598D595-L600 HydrophobicContact CB-CB 4.32Å; D595-L600 PolarHBondContact O-N 3.47Å; L598-L600 HydrophobicContact CB-CD1 3.55Å; L598-L600 HydrophobicContact CB-CG 3.7Å; L598-L600 HydrophobicContact CD1-CD1 3.75Å; L598-L600 HydrophobicContact CG-CD1 4.31Å; L598-L600 PolarHBondContact O-N 3.09Å
601R80.1Confident86.1Confident213 Ų21361.3 Ų61.380%0.80431%0.311SS*.  trans-124.9150.9-176.5-65.9-178.9178.5169.1-2.4109.7
602V83.3Confident86.1Confident29 Ų2958.7 Ų58.718%0.17630%0.3CS..  trans-64.1127.3170.5-1780000108.4R580 L581 A584 R604 I708R580-V602 HydrophobicContact CB-CG2 3.98Å; R580-V602 WeakPolarHBondContact O-CG2 2.96Å; L581-V602 HydrophobicContact CD2-CG1 4.03Å; L581-V602 HydrophobicContact CG-CG1 4.27Å; A584-V602 HydrophobicContact CB-CG2 3.82Å; V602-R604 PolarHBondContact O-N 2.9Å; V602-I708 HydrophobicContact CG1-CD1 3.66Å; V602-I708 HydrophobicContact CG1-CG1 4.32Å
603P83.8Confident86.2Confident14 Ų1459.4 Ų59.49%0.09131%0.309CS..  trans-62.6134177.425.9-33.8000110.2I577 I606 L731I577-P603 HydrophobicContact CG1-CG 4.32Å; P603-I606 HydrophobicContact CB-CG1 4.2Å; P603-I606 HydrophobicContact CG-CD1 4.19Å; P603-I606 HydrophobicContact CG-CG1 4.17Å; P603-L731 HydrophobicContact CB-CB 4.08Å; P603-L731 HydrophobicContact CG-CD2 4.21Å
604R79.7Confident86.1Confident124 Ų12453.5 Ų53.547%0.46828%0.282SS..SBendtrans-84.9-41.8-178.9-67.5-173.2176.7-176.13.9111.7V602 L709 D730V602-R604 PolarHBondContact O-N 2.9Å; R604-L709 PolarHBondContact O-N 3.35Å; R604-D730 PolarHBondContact N-OD2 3.24Å
605G87.3Confident86Confident0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-118.5129174.900000111.5L709 R728 F729 D730 L731G605-L709 CarbonylContact C-O 3.55Å; G605-L709 WeakPolarHBondContact CA-O 3.48Å; G605-R728 VanDerWaalsContact CA-O 3.25Å; G605-R728 WeakPolarHBondContact CA-O 3.17Å; G605-R728 PolarHBondContact N-O 3.43Å; G605-F729 CarbonylContact O-C 3.6Å; G605-F729 WeakPolarHBondContact O-CA 3.4Å; G605-D730 PolarHBondContact O-N 2.65Å; G605-D730 VanDerWaalsContact O-N 3.09Å; G605-L731 PolarHBondContact O-N 2.89Å
606I89.9Confident86.2Confident1 Ų152.3 Ų52.31%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-118.4128.3174.1-56.6161.7000108.4I577 P603 L608 I708 L709 V710 A711 L731 I733I577-I606 HydrophobicContact CD1-CD1 3.55Å; I577-I606 HydrophobicContact CD1-CG1 4.45Å; I577-I606 HydrophobicContact CD1-CG2 4.48Å; I577-I606 HydrophobicContact CG1-CD1 3.8Å; I577-I606 HydrophobicContact CG2-CD1 3.96Å; P603-I606 HydrophobicContact CB-CG1 4.2Å; P603-I606 HydrophobicContact CG-CD1 4.19Å; P603-I606 HydrophobicContact CG-CG1 4.17Å; I606-L608 HydrophobicContact CG2-CD2 3.89Å; I606-I708 HydrophobicContact CD1-CG2 3.72Å; I606-I708 HydrophobicContact CG1-CG2 4.36Å; I606-L709 PolarHBondContact N-O 3.34Å; I606-V710 HydrophobicContact CB-CG1 4.35Å; I606-V710 HydrophobicContact CB-CG2 4.21Å; I606-V710 HydrophobicContact CD1-CG2 4.03Å; I606-V710 HydrophobicContact CG2-CG1 4.4Å; I606-V710 CarbonylContact O-C 3.44Å; I606-V710 VanDerWaalsContact O-CA 3.31Å; I606-V710 WeakPolarHBondContact O-CA 3.3Å; I606-A711 PolarHBondContact O-N 3.28Å; I606-L731 CarbonylContact C-O 3.57Å; I606-L731 VanDerWaalsContact CA-O 3.26Å; I606-L731 WeakPolarHBondContact CA-O 3.37Å; I606-L731 HydrophobicContact CG1-CB 4.24Å; I606-L731 HydrophobicContact CG1-CD2 4.23Å; I606-L731 HydrophobicContact CG2-CD2 4.4Å; I606-L731 HydrophobicContact CG2-CG 4.45Å; I606-I733 HydrophobicContact CG2-CD1 4.18Å
607L90.4Very high86.4Confident10 Ų1051.6 Ų51.65%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-116.2114.4178.8-176.860.5000110.1I671 A711 T713 M716 L719 F729 L731 V732 I733L607-I671 HydrophobicContact CD1-CG2 4.33Å; L607-A711 CarbonylContact C-O 3.53Å; L607-A711 WeakPolarHBondContact CA-O 3.49Å; L607-A711 HydrophobicContact CD1-CB 3.82Å; L607-T713 HydrophobicContact CD1-CG2 4.37Å; L607-M716 HydrophobicContact CD1-CE 4.21Å; L607-M716 HydrophobicContact CD2-CE 3.39Å; L607-M716 HydrophobicContact CG-CE 3.58Å; L607-L719 HydrophobicContact CD1-CD1 4.3Å; L607-L719 HydrophobicContact CD2-CD1 3.78Å; L607-F729 HydrophobicContact CB-CB 4.02Å; L607-F729 HydrophobicContact CB-CD1 3.8Å; L607-F729 HydrophobicContact CB-CD2 4.38Å; L607-F729 HydrophobicContact CB-CE1 4.38Å; L607-F729 HydrophobicContact CB-CG 3.83Å; L607-F729 HydrophobicContact CD2-CB 4.47Å; L607-F729 HydrophobicContact CD2-CD2 4.16Å; L607-F729 HydrophobicContact CD2-CG 4.31Å; L607-L731 PolarHBondContact N-O 2.8Å; L607-V732 HydrophobicContact CB-CG2 4.33Å; L607-V732 HydrophobicContact CD2-CG2 4.48Å; L607-V732 CarbonylContact O-C 3.39Å; L607-V732 WeakPolarHBondContact O-CA 3.34Å; L607-I733 PolarHBondContact O-N 2.84Å
608L92.5Very high86.6Confident0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-96.5124.9177.5-54.2-174.6000109.8F573 I606 V620 V710 A711 A712 T713 I733F573-L608 HydrophobicContact CE1-CD1 4.44Å; F573-L608 HydrophobicContact CE1-CD2 4.31Å; F573-L608 HydrophobicContact CE2-CD2 4.26Å; F573-L608 HydrophobicContact CZ-CD1 3.96Å; F573-L608 HydrophobicContact CZ-CD2 3.52Å; F573-L608 HydrophobicContact CZ-CG 4.41Å; I606-L608 HydrophobicContact CG2-CD2 3.89Å; L608-V620 HydrophobicContact CD1-CG2 3.43Å; L608-V620 VanDerWaalsContact CD1-CG2 3.43Å; L608-V710 HydrophobicContact CD1-CG1 3.96Å; L608-V710 HydrophobicContact CG-CG1 4.05Å; L608-A711 PolarHBondContact N-O 3Å; L608-A712 HydrophobicContact CB-CB 4.36Å; L608-A712 CarbonylContact O-C 3.54Å; L608-A712 WeakPolarHBondContact O-CA 3.46Å; L608-T713 PolarHBondContact O-N 2.91Å; L608-I733 WeakPolarHBondContact CA-O 3.25Å; L608-I733 HydrophobicContact CD2-CB 3.77Å; L608-I733 HydrophobicContact CD2-CD1 4.05Å; L608-I733 HydrophobicContact CD2-CG1 4.25Å; L608-I733 HydrophobicContact CD2-CG2 4.46Å
609H90.1Very high86.7Confident24 Ų2445 Ų4511%0.11121%0.213CC..EExtended strand (participates in β ladder)trans-133.3156.3174.466.293.6000113.3T713 M716 V732 I733 E734 V735H609-T713 WeakPolarHBondContact CA-O 3.44Å; H609-T713 HydrophobicContact CB-CG2 3.89Å; H609-M716 HydrophobicContact CB-CE 3.37Å; H609-M716 HydrophobicContact CB-CG 3.31Å; H609-M716 HydrophobicContact CB-SD 3.7Å; H609-M716 PolarHBondContact CD2-SD 2.93Å; H609-M716 WeakPolarHBondContact ND1-CG 3.11Å; H609-V732 VanDerWaalsContact CD2-CG1 3.47Å; H609-V732 WeakPolarHBondContact CD2-CG1 3.4Å; H609-I733 PolarHBondContact N-O 2.83Å; H609-E734 WeakPolarHBondContact CE1-CB 3.32Å; H609-E734 IonicContact CE1-OE2 2.72Å; H609-E734 CarbonylContact O-C 3.49Å; H609-E734 WeakPolarHBondContact O-CA 3.15Å; H609-V735 PolarHBondContact O-N 3.08Å
610G88.7Confident87.1Confident0 Ų034.8 Ų34.80%017%0.174CC..  trans155.7-178.8177.200000111.1K616G610-K616 PolarHBondContact O-NZ 2.97Å
611P87.9Confident87.5Confident1 Ų134.1 Ų34.11%0.00617%0.166CC..  trans-61.2153179.811-11.9000112.4K616 V735 P737 L819 Y822P611-K616 PolarHBondContact O-NZ 3.36Å; P611-V735 WeakPolarHBondContact CD-O 3.44Å; P611-P737 HydrophobicContact CG-CG 3.79Å; P611-L819 HydrophobicContact CB-CD2 3.56Å; P611-L819 HydrophobicContact CG-CD2 3.56Å; P611-Y822 HydrophobicContact CB-CD1 3.92Å; P611-Y822 HydrophobicContact CB-CD2 4.15Å; P611-Y822 HydrophobicContact CB-CE1 4.2Å; P611-Y822 HydrophobicContact CB-CE2 4.42Å; P611-Y822 HydrophobicContact CB-CG 3.89Å; P611-Y822 HydrophobicContact CG-CD1 4.27Å; P611-Y822 HydrophobicContact CG-CE1 4.24Å
612P84.7Confident88.1Confident52 Ų5224 Ų2434%0.33813%0.128SC..THydrogen-bonded Turntrans-63.5148.3172.328.7-34.5000110.2
613G83.7Confident88.5Confident30 Ų3022.6 Ų22.631%0.30912%0.12SC..THydrogen-bonded Turntrans82.4517900000116S615 G780 A781G613-S615 VanDerWaalsContact C-N 3.35Å; G613-S615 PolarHBondContact O-N 3.39Å; G613-G780 PolarHBondContact O-N 3.42Å; G613-A781 PolarHBondContact O-N 3.35Å
614C84Confident88.8Confident1 Ų122.1 Ų22.11%0.00712%0.117CC..SBendtrans-95.335.1174.9-66.50000113.7K616 V735C614-K616 VanDerWaalsContact C-N 3.28Å; C614-K616 PolarHBondContact O-N 3.47Å; C614-V735 HydrophobicContact CB-CG1 4.04Å; C614-V735 WeakPolarHBondContact O-CG1 3.31Å
615S85.2Confident89.2Confident30 Ų3018 Ų1821%0.2111%0.106CC..  trans57.226.6169.770.30000116.8G613 T617 M618 F619G613-S615 VanDerWaalsContact C-N 3.35Å; G613-S615 PolarHBondContact O-N 3.39Å; S615-T617 PolarHBondContact O-N 2.81Å; S615-M618 WeakPolarHBondContact O-CA 3.01Å; S615-M618 WeakPolarHBondContact O-CB 3.35Å; S615-M618 PolarHBondContact O-N 2.83Å; S615-F619 WeakPolarHBondContact O-CD2 3.44Å; S615-F619 PolarHBondContact O-N 2.9Å; S615-F619 WeakPolarHBondContact OG-CE2 3.29Å
616K90.1Very high89.3Confident9 Ų920.6 Ų20.64%0.03912%0.118CC..Hα-helixtrans-52.3-52178.4-67.9-171.3-73.8-88.20112.6G610 P611 C614 M618 F619 V620 A712 T713 N714 V735G610-K616 PolarHBondContact O-NZ 2.97Å; P611-K616 PolarHBondContact O-NZ 3.36Å; C614-K616 VanDerWaalsContact C-N 3.28Å; C614-K616 PolarHBondContact O-N 3.47Å; K616-M618 PolarHBondContact O-N 3.02Å; K616-F619 PolarHBondContact O-N 3.32Å; K616-V620 PolarHBondContact O-N 2.91Å; K616-A712 HydrophobicContact CB-CB 4.43Å; K616-T713 WeakPolarHBondContact CE-O 3.17Å; K616-N714 VanDerWaalsContact CE-OD1 3.25Å; K616-N714 WeakPolarHBondContact CE-OD1 3.06Å; K616-N714 PolarHBondContact NZ-OD1 2.96Å; K616-V735 HydrophobicContact CG-CB 4.04Å; K616-V735 HydrophobicContact CG-CG1 4.29Å; K616-V735 HydrophobicContact CG-CG2 4.04Å
617T89Confident89.1Confident56 Ų5621.6 Ų21.634%0.34413%0.125SC..Hα-helixtrans-58.7-35175.7-40.60000112.1S615 V620 R621 F667 D669S615-T617 PolarHBondContact O-N 2.81Å; T617-V620 PolarHBondContact O-N 3.27Å; T617-R621 VanDerWaalsContact O-CG 3.25Å; T617-R621 WeakPolarHBondContact O-CG 3.3Å; T617-R621 PolarHBondContact O-N 3.09Å; T617-F667 HydrophobicContact CG2-CE1 3.7Å; T617-F667 HydrophobicContact CG2-CZ 4.29Å; T617-D669 PolarHBondContact OG1-OD2 3.32Å
618M90.7Very high88.7Confident65 Ų6529.7 Ų29.732%0.3216%0.162SC..Hα-helixtrans-68.7-39.5-179.5-163-176.2-88.500112L558 I563 S615 K616 V620 R621 A622L558-M618 HydrophobicContact CD2-CB 4.23Å; L558-M618 HydrophobicContact CD2-CG 3.06Å; L558-M618 HydrophobicContact CD2-SD 4.1Å; L558-M618 HydrophobicContact CG-CG 4.46Å; I563-M618 HydrophobicContact CB-SD 4.35Å; I563-M618 HydrophobicContact CD1-CB 4.36Å; I563-M618 HydrophobicContact CD1-CG 3.91Å; I563-M618 HydrophobicContact CD1-SD 4.34Å; I563-M618 HydrophobicContact CG1-CG 3.85Å; I563-M618 HydrophobicContact CG1-SD 3.76Å; I563-M618 HydrophobicContact CG2-SD 4.39Å; S615-M618 WeakPolarHBondContact O-CA 3.01Å; S615-M618 WeakPolarHBondContact O-CB 3.35Å; S615-M618 PolarHBondContact O-N 2.83Å; K616-M618 PolarHBondContact O-N 3.02Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 3.04Å; M618-R621 WeakPolarHBondContact O-CB 3.37Å; M618-R621 PolarHBondContact O-N 3.01Å; M618-A622 PolarHBondContact O-N 2.82Å
619F92.8Very high88.2Confident0 Ų031.2 Ų31.20%017%0.17CC..Hα-helixtrans-60.6-41.9175.7-86.8-84.8000112.2W560 I563 Y566 L569 K570 F573 S615 K616 A622 L623 V735W560-F619 HydrophobicContact CH2-CD1 4.34Å; W560-F619 WeakPolarHBondContact CH2-O 3.46Å; W560-F619 AromaticContact CZ3-CD1 3.65Å; W560-F619 HydrophobicContact CZ3-CD1 3.65Å; W560-F619 HydrophobicContact CZ3-CE1 4.26Å; I563-F619 HydrophobicContact CD1-CD1 4.23Å; I563-F619 HydrophobicContact CD1-CD2 4.48Å; I563-F619 HydrophobicContact CD1-CE1 4.47Å; I563-F619 HydrophobicContact CD1-CG 4.2Å; I563-F619 HydrophobicContact CG2-CE2 4.28Å; I563-F619 HydrophobicContact CG2-CZ 4.14Å; Y566-F619 HydrophobicContact CD2-CE2 4.19Å; Y566-F619 HydrophobicContact CD2-CZ 4.03Å; Y566-F619 HydrophobicContact CG-CE2 4.35Å; Y566-F619 AromaticContact CG-CZ 3.92Å; Y566-F619 HydrophobicContact CG-CZ 3.92Å; L569-F619 HydrophobicContact CB-CE1 4.35Å; L569-F619 HydrophobicContact CB-CZ 4.35Å; K570-F619 HydrophobicContact CG-CE1 3.87Å; F573-F619 HydrophobicContact CD2-CD1 4.17Å; F573-F619 HydrophobicContact CE1-CB 4.04Å; F573-F619 HydrophobicContact CE2-CB 4.49Å; F573-F619 HydrophobicContact CE2-CD1 4.07Å; F573-F619 HydrophobicContact CE2-CG 4.41Å; F573-F619 HydrophobicContact CG-CD1 4.44Å; F573-F619 HydrophobicContact CZ-CB 3.9Å; F573-F619 HydrophobicContact CZ-CD1 4.28Å; F573-F619 HydrophobicContact CZ-CG 4.29Å; S615-F619 WeakPolarHBondContact O-CD2 3.44Å; S615-F619 PolarHBondContact O-N 2.9Å; S615-F619 WeakPolarHBondContact OG-CE2 3.29Å; K616-F619 PolarHBondContact O-N 3.32Å; F619-A622 PolarHBondContact O-N 3.38Å; F619-L623 WeakPolarHBondContact O-CB 3.33Å; F619-L623 PolarHBondContact O-N 2.89Å; F619-V735 HydrophobicContact CE2-CG1 4.37Å
620V92.4Very high87.8Confident0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-68.8-38.2179.5-172.80000111.3L608 K616 T617 M618 L623 A624 L631 I665 F667 V710L608-V620 HydrophobicContact CD1-CG2 3.43Å; L608-V620 VanDerWaalsContact CD1-CG2 3.43Å; K616-V620 PolarHBondContact O-N 2.91Å; T617-V620 PolarHBondContact O-N 3.27Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 3.04Å; V620-L623 PolarHBondContact O-N 3.15Å; V620-A624 PolarHBondContact O-N 2.93Å; V620-L631 HydrophobicContact CG1-CD1 3.93Å; V620-I665 HydrophobicContact CG1-CG2 4.01Å; V620-F667 HydrophobicContact CB-CD2 4Å; V620-F667 HydrophobicContact CB-CE2 4.26Å; V620-F667 HydrophobicContact CB-CG 4.29Å; V620-F667 HydrophobicContact CG1-CB 3.91Å; V620-F667 HydrophobicContact CG1-CD2 3.75Å; V620-F667 HydrophobicContact CG1-CE2 4.49Å; V620-F667 HydrophobicContact CG1-CG 3.86Å; V620-F667 HydrophobicContact CG2-CD2 3.71Å; V620-F667 HydrophobicContact CG2-CE2 3.66Å; V620-F667 HydrophobicContact CG2-CG 4.48Å; V620-F667 HydrophobicContact CG2-CZ 4.4Å; V620-V710 HydrophobicContact CG1-CB 4.26Å; V620-V710 HydrophobicContact CG1-CG1 4.22Å; V620-V710 HydrophobicContact CG1-CG2 4.43Å; V620-V710 HydrophobicContact CG2-CG1 3.6Å
621R91.3Very high87.7Confident57 Ų5733.2 Ų33.222%0.21518%0.184CC..Hα-helixtrans-60.1-45.9172.7-70.117162.5-177.42.1112.4V555 E556 L558 T617 M618 A624 T625 L631V555-R621 HydrophobicContact CG1-CG 3.42Å; V555-R621 VanDerWaalsContact CG1-CG 3.42Å; E556-R621 PolarHBondContact O-NE 2.77Å; E556-R621 PolarHBondContact O-NH2 2.78Å; L558-R621 HydrophobicContact CB-CB 4.04Å; L558-R621 HydrophobicContact CD2-CB 4.34Å; T617-R621 VanDerWaalsContact O-CG 3.25Å; T617-R621 WeakPolarHBondContact O-CG 3.3Å; T617-R621 PolarHBondContact O-N 3.09Å; M618-R621 WeakPolarHBondContact O-CB 3.37Å; M618-R621 PolarHBondContact O-N 3.01Å; R621-A624 PolarHBondContact O-N 3.28Å; R621-T625 PolarHBondContact O-N 2.64Å; R621-T625 VanDerWaalsContact O-N 3.09Å; R621-T625 PolarHBondContact O-OG1 3.27Å; R621-L631 HydrophobicContact CB-CD2 4.48Å; R621-L631 HydrophobicContact CG-CD2 3.92Å
622A92.2Very high87.7Confident0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-62.6-47.7176.700000111.4L558 W560 I563 M618 F619 A624 T625 E626L558-A622 HydrophobicContact CD2-CB 4.32Å; L558-A622 VanDerWaalsContact O-CA 3.28Å; L558-A622 WeakPolarHBondContact O-CA 3.42Å; W560-A622 HydrophobicContact CD2-CB 3.95Å; W560-A622 HydrophobicContact CE3-CB 3.41Å; W560-A622 VanDerWaalsContact CE3-CB 3.41Å; W560-A622 HydrophobicContact CH2-CB 4Å; W560-A622 HydrophobicContact CZ2-CB 4.49Å; W560-A622 HydrophobicContact CZ3-CB 3.43Å; W560-A622 VanDerWaalsContact CZ3-CB 3.43Å; I563-A622 HydrophobicContact CD1-CB 3.76Å; I563-A622 HydrophobicContact CG1-CB 4.47Å; M618-A622 PolarHBondContact O-N 2.82Å; F619-A622 PolarHBondContact O-N 3.38Å; A622-A624 VanDerWaalsContact C-N 3.34Å; A622-A624 PolarHBondContact O-N 2.82Å; A622-T625 PolarHBondContact O-N 3.16Å; A622-E626 VanDerWaalsContact O-CB 3.29Å; A622-E626 WeakPolarHBondContact O-CB 3.48Å; A622-E626 WeakPolarHBondContact O-CG 3.5Å; A622-E626 PolarHBondContact O-N 3.36Å
623L92.5Very high87.8Confident1 Ų131.3 Ų31.31%0.00517%0.172CC..Hα-helixtrans-55.1-48176.9-178.970.2000112.1W560 F573 I577 Q578 F619 V620 E626 C627 I665W560-L623 HydrophobicContact CH2-CB 3.9Å; W560-L623 HydrophobicContact CH2-CD1 4.5Å; W560-L623 HydrophobicContact CZ2-CB 4.01Å; W560-L623 HydrophobicContact CZ2-CD1 4.04Å; F573-L623 HydrophobicContact CD1-CD1 4.48Å; F573-L623 HydrophobicContact CD1-CD2 4.28Å; I577-L623 HydrophobicContact CB-CD1 4.11Å; I577-L623 HydrophobicContact CB-CD2 4.43Å; I577-L623 HydrophobicContact CD1-CD2 4.18Å; I577-L623 HydrophobicContact CG2-CD1 3.97Å; I577-L623 HydrophobicContact CG2-CD2 3.78Å; I577-L623 HydrophobicContact CG2-CG 4.41Å; Q578-L623 HydrophobicContact CB-CD1 4.27Å; F619-L623 WeakPolarHBondContact O-CB 3.33Å; F619-L623 PolarHBondContact O-N 2.89Å; V620-L623 PolarHBondContact O-N 3.15Å; L623-E626 PolarHBondContact O-N 3.47Å; L623-C627 WeakPolarHBondContact O-CB 3.49Å; L623-C627 PolarHBondContact O-N 3.41Å; L623-C627 PolarHBondContact O-SG 3.28Å; L623-I665 HydrophobicContact CD2-CD1 4.09Å; L623-I665 HydrophobicContact CG-CD1 4.14Å
624A89.5Confident88Confident3 Ų330 Ų303%0.02516%0.158CC..Hα-helixtrans-64.2-43-179.200000112.7V620 R621 A622 Q628 L629 L631 I665V620-A624 PolarHBondContact O-N 2.93Å; R621-A624 PolarHBondContact O-N 3.28Å; A622-A624 VanDerWaalsContact C-N 3.34Å; A622-A624 PolarHBondContact O-N 2.82Å; A624-Q628 PolarHBondContact O-N 3.44Å; A624-L629 PolarHBondContact O-N 3.24Å; A624-L631 HydrophobicContact CB-CB 3.73Å; A624-L631 HydrophobicContact CB-CD1 4.22Å; A624-L631 HydrophobicContact CB-CD2 4.25Å; A624-L631 HydrophobicContact CB-CG 4.29Å; A624-I665 HydrophobicContact CB-CD1 3.94Å
625T87.7Confident88Confident39 Ų3932.9 Ų32.924%0.23917%0.171CC..Hα-helixtrans-66.9-40.3179.4-520000111.5P557 L558 R559 R621 A622 Q628P557-T625 HydrophobicContact CB-CG2 3.82Å; L558-T625 PolarHBondContact N-OG1 2.92Å; L558-T625 WeakPolarHBondContact O-CB 3.39Å; L558-T625 WeakPolarHBondContact O-CG2 3.29Å; L558-T625 PolarHBondContact O-OG1 2.96Å; R559-T625 HydrophobicContact CG-CG2 4.47Å; R621-T625 PolarHBondContact O-N 2.64Å; R621-T625 VanDerWaalsContact O-N 3.09Å; R621-T625 PolarHBondContact O-OG1 3.27Å; A622-T625 PolarHBondContact O-N 3.16Å; T625-Q628 PolarHBondContact O-N 2.99Å; T625-Q628 VanDerWaalsContact O-N 3.13Å
626E89.3Confident87.9Confident54 Ų5431.5 Ų31.525%0.25216%0.161SC..Hα-helixtrans-72.6-33.8-178.6-66.8-85.5-176.400111.9W560 A622 L623W560-E626 HydrophobicContact CD2-CG 4.34Å; W560-E626 HydrophobicContact CG-CG 3.96Å; W560-E626 PolarHBondContact N-OE1 3.23Å; A622-E626 VanDerWaalsContact O-CB 3.29Å; A622-E626 WeakPolarHBondContact O-CB 3.48Å; A622-E626 WeakPolarHBondContact O-CG 3.5Å; A622-E626 PolarHBondContact O-N 3.36Å; L623-E626 PolarHBondContact O-N 3.47Å
627C85.9Confident87.3Confident22 Ų2233.5 Ų33.515%0.14918%0.176CC..THydrogen-bonded Turntrans-80.6-5.5170.7-57.80000112.9L581 L623 L629L581-C627 HydrophobicContact CD1-CB 4.38Å; L623-C627 WeakPolarHBondContact O-CB 3.49Å; L623-C627 PolarHBondContact O-N 3.41Å; L623-C627 PolarHBondContact O-SG 3.28Å; C627-L629 HydrophobicContact CB-CB 4.4Å; C627-L629 HydrophobicContact CB-CD1 3.9Å; C627-L629 HydrophobicContact CB-CG 3.76Å; C627-L629 PolarHBondContact O-N 2.82Å
628Q82Confident86.8Confident179 Ų17936.3 Ų36.384%0.83618%0.181SC*.THydrogen-bonded Turntrans53.234.9-173.3-57.5175.90.100112.9A624 T625A624-Q628 PolarHBondContact O-N 3.44Å; T625-Q628 PolarHBondContact O-N 2.99Å; T625-Q628 VanDerWaalsContact O-N 3.13Å
629L82.9Confident86.1Confident33 Ų3333.2 Ų33.217%0.17317%0.165CC..PPolyproline II helixtrans-100.3145.1-179.3-64.5-178.9000111.2L581 A624 C627 L631 P663 I665L581-L629 HydrophobicContact CD1-CD1 3.85Å; L581-L629 HydrophobicContact CD2-CD1 4.19Å; A624-L629 PolarHBondContact O-N 3.24Å; C627-L629 HydrophobicContact CB-CB 4.4Å; C627-L629 HydrophobicContact CB-CD1 3.9Å; C627-L629 HydrophobicContact CB-CG 3.76Å; C627-L629 PolarHBondContact O-N 2.82Å; L629-L631 PolarHBondContact O-N 3.41Å; L629-P663 HydrophobicContact CD2-CB 4.14Å; L629-P663 HydrophobicContact CD2-CG 3.96Å; L629-I665 HydrophobicContact CD1-CD1 4.36Å; L629-I665 HydrophobicContact CD1-CG1 4.28Å
630P81.2Confident85.2Confident36 Ų3636.9 Ų36.923%0.23418%0.181CC..PPolyproline II helixtrans-56.3128.3169.2-22.833.2000111.6P663 A664 I665P630-P663 WeakPolarHBondContact CD-O 3.21Å; P630-A664 HydrophobicContact CB-CB 4.28Å; P630-I665 PolarHBondContact O-N 3.17Å
631L87Confident83.7Confident30 Ų3038.2 Ų38.216%0.15720%0.195CC..EExtended strand (participates in β ladder)trans-102.2117.8173.4179.661.1000110.1V555 V620 R621 A624 L629 A633 I665 F667V555-L631 HydrophobicContact CB-CD2 4.37Å; V555-L631 HydrophobicContact CG1-CD2 4.37Å; V620-L631 HydrophobicContact CG1-CD1 3.93Å; R621-L631 HydrophobicContact CB-CD2 4.48Å; R621-L631 HydrophobicContact CG-CD2 3.92Å; A624-L631 HydrophobicContact CB-CB 3.73Å; A624-L631 HydrophobicContact CB-CD1 4.22Å; A624-L631 HydrophobicContact CB-CD2 4.25Å; A624-L631 HydrophobicContact CB-CG 4.29Å; L629-L631 PolarHBondContact O-N 3.41Å; L631-A633 HydrophobicContact CG-CB 4.43Å; L631-I665 HydrophobicContact CD1-CB 4.18Å; L631-I665 HydrophobicContact CD1-CG2 3.86Å; L631-F667 HydrophobicContact CD1-CB 3.81Å
632I86.6Confident81.9Confident6 Ų643.2 Ų43.23%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-104.996.1173.1-63.8164.6000107I552 V634 I654 H657 A658 I665 L666 F667I552-I632 HydrophobicContact CD1-CG2 3.82Å; I552-I632 HydrophobicContact CG1-CG2 3.79Å; I552-I632 HydrophobicContact CG2-CG2 4.46Å; I632-V634 HydrophobicContact CG2-CG2 4.37Å; I632-I654 HydrophobicContact CG2-CG2 4.39Å; I632-H657 VanDerWaalsContact CD1-ND1 3.32Å; I632-H657 WeakPolarHBondContact CD1-ND1 3.38Å; I632-A658 HydrophobicContact CD1-CB 3.71Å; I632-I665 PolarHBondContact N-O 3.4Å; I632-L666 HydrophobicContact CB-CD1 4.19Å; I632-L666 HydrophobicContact CG2-CD1 3.8Å; I632-F667 PolarHBondContact O-N 2.65Å
633A88.4Confident80Confident7 Ų751.2 Ų51.26%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-94.7125.3-179.600000111.1I552 T553 V555 L631 F667I552-A633 WeakPolarHBondContact CA-O 3.27Å; T553-A633 PolarHBondContact N-O 3.3Å; V555-A633 HydrophobicContact CG2-CB 3.57Å; L631-A633 HydrophobicContact CG-CB 4.43Å; A633-F667 CarbonylContact C-O 3.54Å; A633-F667 WeakPolarHBondContact CA-O 3.33Å; A633-F667 HydrophobicContact CB-CB 4.47Å; A633-F667 HydrophobicContact CB-CD1 4.09Å
634V86.8Confident78.2Confident3 Ų358.7 Ų58.72%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-129.8136.3178-179.50000109I552 I632 I639 I654 F667 I668 D669I552-V634 HydrophobicContact CG1-CG2 4.04Å; I632-V634 HydrophobicContact CG2-CG2 4.37Å; V634-I639 HydrophobicContact CG1-CD1 3.67Å; V634-I639 HydrophobicContact CG1-CG1 3.64Å; V634-I654 HydrophobicContact CG1-CD1 3.89Å; V634-I654 HydrophobicContact CG2-CD1 4.02Å; V634-I654 HydrophobicContact CG2-CG1 4.24Å; V634-I654 HydrophobicContact CG2-CG2 3.8Å; V634-F667 PolarHBondContact N-O 2.73Å; V634-I668 WeakPolarHBondContact O-CA 3.25Å; V634-D669 PolarHBondContact O-N 3.34Å
635Q84.5Confident77.1Confident61 Ų6160.3 Ų60.329%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-92128.5170.3-168.3-179200108.7S637 R638 E670Q635-S637 VanDerWaalsContact CD-OG 3.24Å; Q635-S637 WeakPolarHBondContact CG-OG 3.3Å; Q635-S637 PolarHBondContact NE2-OG 2.78Å; Q635-S637 PolarHBondContact O-N 2.82Å; Q635-S637 VanDerWaalsContact O-N 3.17Å; Q635-R638 HydrophobicContact CB-CG 4.16Å; Q635-R638 WeakPolarHBondContact O-CB 3.43Å; Q635-R638 PolarHBondContact O-N 3.5Å; Q635-E670 PolarHBondContact NE2-OE2 2.98Å
636A82.6Confident76.2Confident0 Ų061.1 Ų61.10%031%0.31CS..Hα-helixtrans-50-42.4-178.500000113.4R638 I639 I668 D669 E670 L673 L674A636-R638 PolarHBondContact O-N 3.02Å; A636-I639 WeakPolarHBondContact O-CB 3.47Å; A636-I639 PolarHBondContact O-N 3.12Å; A636-I639 VanDerWaalsContact O-N 3.15Å; A636-I668 HydrophobicContact CB-CG2 4.47Å; A636-D669 WeakPolarHBondContact CB-O 3.17Å; A636-D669 PolarHBondContact N-O 2.75Å; A636-E670 WeakPolarHBondContact CB-O 3.41Å; A636-L673 HydrophobicContact CB-CB 4.04Å; A636-L674 HydrophobicContact CB-CD1 4.27Å; A636-L674 HydrophobicContact CB-CD2 3.99Å; A636-L674 HydrophobicContact CB-CG 3.72Å
637S78.6Confident75.4Confident52 Ų5258.8 Ų58.836%0.36430%0.3SS..Hα-helixtrans-59.9-26.2179.260.50000114.3Q635 I639Q635-S637 VanDerWaalsContact CD-OG 3.24Å; Q635-S637 WeakPolarHBondContact CG-OG 3.3Å; Q635-S637 PolarHBondContact NE2-OG 2.78Å; Q635-S637 PolarHBondContact O-N 2.82Å; Q635-S637 VanDerWaalsContact O-N 3.17Å; S637-I639 VanDerWaalsContact C-N 3.34Å
638R77.7Confident74.7Confident114 Ų11460.1 Ų60.143%0.4330%0.304SS..Hα-helixtrans-79.6-17.3-179.2-66.6-176.3176.7-161.7-3.5113.4H551 T553 Q635 A636H551-R638 PolarHBondContact CE1-O 2.84Å; H551-R638 PolarHBondContact ND1-O 3.22Å; T553-R638 PolarHBondContact OG1-NH1 3.45Å; Q635-R638 HydrophobicContact CB-CG 4.16Å; Q635-R638 WeakPolarHBondContact O-CB 3.43Å; Q635-R638 PolarHBondContact O-N 3.5Å; A636-R638 PolarHBondContact O-N 3.02Å
639I77.2Confident74.2Confident0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-74.7-33.5-174-55.9-179.2000110.8V634 A636 S637 G641 S647 N650 M651 I654 L674 V689V634-I639 HydrophobicContact CG1-CD1 3.67Å; V634-I639 HydrophobicContact CG1-CG1 3.64Å; A636-I639 WeakPolarHBondContact O-CB 3.47Å; A636-I639 PolarHBondContact O-N 3.12Å; A636-I639 VanDerWaalsContact O-N 3.15Å; S637-I639 VanDerWaalsContact C-N 3.34Å; I639-G641 PolarHBondContact O-N 3.41Å; I639-S647 WeakPolarHBondContact CG2-O 3.21Å; I639-S647 WeakPolarHBondContact O-CA 3.37Å; I639-N650 HydrophobicContact CG2-CB 4.26Å; I639-N650 PolarHBondContact O-ND2 3.41Å; I639-M651 HydrophobicContact CD1-CE 3.27Å; I639-M651 HydrophobicContact CD1-SD 4.25Å; I639-M651 HydrophobicContact CG2-CB 4.2Å; I639-M651 HydrophobicContact CG2-CE 4.26Å; I639-I654 HydrophobicContact CD1-CD1 4.46Å; I639-I654 HydrophobicContact CG1-CD1 4.31Å; I639-L674 HydrophobicContact CD1-CD1 4.32Å; I639-V689 HydrophobicContact CG2-CG1 4.31Å
640F71.8Confident73.9Confident77 Ų7755.4 Ų55.434%0.33828%0.278SS..  trans-62.7115.9-177.1-65.1-69.8000111.9S647 L673 L674F640-S647 WeakPolarHBondContact CA-OG 3.37Å; F640-L673 WeakPolarHBondContact CZ-O 3.45Å; F640-L674 HydrophobicContact CE1-CD2 4.29Å; F640-L674 HydrophobicContact CE2-CD2 3.72Å; F640-L674 HydrophobicContact CZ-CD2 3.54Å
641G62Low73.8Confident28 Ų2853.8 Ų53.829%0.28927%0.267SS..  trans-86.6166171.400000112.1I639 S647I639-G641 PolarHBondContact O-N 3.41Å; G641-S647 PolarHBondContact N-OG 3.15Å
642R52.7Low73.3Confident163 Ų16355.3 Ų55.362%0.61527%0.271SS*.SBendtrans-74.2-30.5174.9-66.2-174-178.2-179.32.9112.4V19V19-R642 PolarHBondContact O-NH2 3.23Å
643Y52Low72.8Confident168 Ų16860.8 Ų60.866%0.65929%0.291SS*.SBendtrans-97.3150.5-176.9-56.8-78000111.2G645 D646Y643-G645 PolarHBondContact O-N 3.01Å; Y643-D646 VanDerWaalsContact CD2-OD2 3.3Å; Y643-D646 WeakPolarHBondContact CD2-OD2 3.31Å; Y643-D646 WeakPolarHBondContact O-CB 3.36Å; Y643-D646 PolarHBondContact O-N 3.09Å
644V56.8Low72.4Confident158 Ų15860.6 Ų60.696%0.95829%0.289SS*.THydrogen-bonded Turntrans-59.6133.5173.2-178.20000109D646V644-D646 VanDerWaalsContact C-N 3.27Å; V644-D646 PolarHBondContact O-N 3.22Å
645G65.3Low72.1Confident36 Ų3661 Ų6137%0.37129%0.291SS..THydrogen-bonded Turntrans82.3-14.6-178.700000115.5Y643 S647 E648 R649Y643-G645 PolarHBondContact O-N 3.01Å; G645-S647 VanDerWaalsContact C-N 3.33Å; G645-S647 PolarHBondContact O-N 3.47Å; G645-E648 PolarHBondContact O-N 3.13Å; G645-R649 PolarHBondContact O-N 2.87Å
646D68.3Low71.8Confident56 Ų5658.6 Ų58.630%0.29928%0.28SS..Hα-helixtrans-62.3-42.7176.2-88.8-9.3000111.6Y643 V644 E648 R649 N650Y643-D646 VanDerWaalsContact CD2-OD2 3.3Å; Y643-D646 WeakPolarHBondContact CD2-OD2 3.31Å; Y643-D646 WeakPolarHBondContact O-CB 3.36Å; Y643-D646 PolarHBondContact O-N 3.09Å; V644-D646 VanDerWaalsContact C-N 3.27Å; V644-D646 PolarHBondContact O-N 3.22Å; D646-E648 VanDerWaalsContact C-N 3.26Å; D646-E648 PolarHBondContact O-N 2.97Å; D646-R649 PolarHBondContact O-N 2.9Å; D646-N650 VanDerWaalsContact O-CB 3.29Å; D646-N650 WeakPolarHBondContact O-CB 3.33Å; D646-N650 PolarHBondContact O-N 2.95Å; D646-N650 PolarHBondContact O-ND2 3.3Å; D646-N650 VanDerWaalsContact O-ND2 3.17Å
647S72.9Confident71.6Confident6 Ų658.9 Ų58.94%0.04228%0.282CS..Hα-helixtrans-59.7-40.6-179.9-450000111.5I639 F640 G641 G645 N650 M651 V689I639-S647 WeakPolarHBondContact CG2-O 3.21Å; I639-S647 WeakPolarHBondContact O-CA 3.37Å; F640-S647 WeakPolarHBondContact CA-OG 3.37Å; G641-S647 PolarHBondContact N-OG 3.15Å; G645-S647 VanDerWaalsContact C-N 3.33Å; G645-S647 PolarHBondContact O-N 3.47Å; S647-N650 PolarHBondContact O-N 3.19Å; S647-M651 WeakPolarHBondContact O-CB 3.33Å; S647-M651 PolarHBondContact O-N 3.31Å; S647-V689 VanDerWaalsContact CB-CG2 3.48Å
648E72Confident71.8Confident50 Ų5056.5 Ų56.523%0.23427%0.265CS..Hα-helixtrans-67.9-46.6176.3-172.7-171.4146.100111G645 D646 N650 M651 R652 E692G645-E648 PolarHBondContact O-N 3.13Å; D646-E648 VanDerWaalsContact C-N 3.26Å; D646-E648 PolarHBondContact O-N 2.97Å; E648-N650 VanDerWaalsContact C-N 3.27Å; E648-N650 PolarHBondContact O-N 3.25Å; E648-M651 PolarHBondContact O-N 2.99Å; E648-R652 WeakPolarHBondContact O-CB 3.34Å; E648-R652 WeakPolarHBondContact O-CG 3.3Å; E648-R652 PolarHBondContact O-N 3.17Å; E648-R652 IonicContact OE1-CZ 3.17Å; E648-R652 IonicContact OE1-NE 3Å; E648-R652 IonicContact OE1-NH1 2.66Å; E648-R652 PolarHBondContact OE1-NH1 3.4Å; E648-R652 IonicContact OE1-NH2 3.19Å; E648-R652 PolarHBondContact OE1-NH2 2.88Å; E648-E692 HydrophobicContact CG-CG 3.73Å
649R71.5Confident71.9Confident97 Ų9753.3 Ų53.337%0.36625%0.253SS..Hα-helixtrans-60.8-37.8175.4-169177.7-171.4167.48.2111.8D352 G645 D646 R653D352-R649 IonicContact OD2-NH2 3.97Å; D352-R649 PolarHBondContact OD2-NH2 2.86Å; G645-R649 PolarHBondContact O-N 2.87Å; D646-R649 PolarHBondContact O-N 2.9Å; R649-R653 VanDerWaalsContact O-CG 3.32Å; R649-R653 WeakPolarHBondContact O-CG 3.32Å; R649-R653 PolarHBondContact O-N 2.84Å
650N75Confident71.9Confident16 Ų1653.4 Ų53.49%0.08625%0.253CS..Hα-helixtrans-65.8-49.2176.3-70.7-28000111H551 I639 D646 S647 E648 R652 R653 I654H551-N650 PolarHBondContact NE2-ND2 2.9Å; H551-N650 PolarHBondContact NE2-OD1 3.05Å; I639-N650 HydrophobicContact CG2-CB 4.26Å; I639-N650 PolarHBondContact O-ND2 3.41Å; D646-N650 VanDerWaalsContact O-CB 3.29Å; D646-N650 WeakPolarHBondContact O-CB 3.33Å; D646-N650 PolarHBondContact O-N 2.95Å; D646-N650 PolarHBondContact O-ND2 3.3Å; D646-N650 VanDerWaalsContact O-ND2 3.17Å; S647-N650 PolarHBondContact O-N 3.19Å; E648-N650 VanDerWaalsContact C-N 3.27Å; E648-N650 PolarHBondContact O-N 3.25Å; N650-R652 PolarHBondContact O-N 2.86Å; N650-R653 PolarHBondContact O-N 3.14Å; N650-I654 WeakPolarHBondContact O-CD1 3.36Å; N650-I654 WeakPolarHBondContact O-CG1 3.38Å; N650-I654 PolarHBondContact O-N 3.46Å
651M80.2Confident72.2Confident1 Ų150.4 Ų50.41%0.00524%0.242CC..Hα-helixtrans-59.6-46.4176.8-176.259.483.300111.5I639 S647 E648 R653 I654 L655 I668 L674 V689 E692 V693I639-M651 HydrophobicContact CD1-CE 3.27Å; I639-M651 HydrophobicContact CD1-SD 4.25Å; I639-M651 HydrophobicContact CG2-CB 4.2Å; I639-M651 HydrophobicContact CG2-CE 4.26Å; S647-M651 WeakPolarHBondContact O-CB 3.33Å; S647-M651 PolarHBondContact O-N 3.31Å; E648-M651 PolarHBondContact O-N 2.99Å; M651-R653 VanDerWaalsContact C-N 3.33Å; M651-R653 PolarHBondContact O-N 2.9Å; M651-I654 WeakPolarHBondContact O-CB 3.2Å; M651-I654 PolarHBondContact O-N 2.83Å; M651-I654 VanDerWaalsContact O-N 3.14Å; M651-L655 HydrophobicContact CG-CD1 3.93Å; M651-L655 HydrophobicContact CG-CG 4.41Å; M651-L655 WeakPolarHBondContact O-CG 3.42Å; M651-L655 PolarHBondContact O-N 2.98Å; M651-L655 HydrophobicContact SD-CD1 4.43Å; M651-L655 HydrophobicContact SD-CG 4.36Å; M651-I668 HydrophobicContact CE-CD1 4.37Å; M651-L674 HydrophobicContact CE-CD1 3.85Å; M651-V689 HydrophobicContact CB-CG1 4.08Å; M651-V689 HydrophobicContact CE-CG1 3.43Å; M651-V689 VanDerWaalsContact CE-CG1 3.43Å; M651-V689 HydrophobicContact CG-CG1 4.11Å; M651-E692 HydrophobicContact CG-CB 4.19Å; M651-V693 HydrophobicContact CE-CG2 3.44Å; M651-V693 VanDerWaalsContact CE-CG2 3.44Å; M651-V693 HydrophobicContact CG-CG2 3.96Å; M651-V693 HydrophobicContact SD-CG2 3.66Å
652R76.1Confident73Confident63 Ų6350.4 Ų50.424%0.23824%0.239CC..Hα-helixtrans-56.6-44.7175.3-78.3178.4178.9147.8-1.1112.6D412 E648 N650 I654 L655 V656 E692D412-R652 IonicContact OD2-NE 2.87Å; E648-R652 WeakPolarHBondContact O-CB 3.34Å; E648-R652 WeakPolarHBondContact O-CG 3.3Å; E648-R652 PolarHBondContact O-N 3.17Å; E648-R652 IonicContact OE1-CZ 3.17Å; E648-R652 IonicContact OE1-NE 3Å; E648-R652 IonicContact OE1-NH1 2.66Å; E648-R652 PolarHBondContact OE1-NH1 3.4Å; E648-R652 IonicContact OE1-NH2 3.19Å; E648-R652 PolarHBondContact OE1-NH2 2.88Å; N650-R652 PolarHBondContact O-N 2.86Å; R652-I654 VanDerWaalsContact C-N 3.34Å; R652-I654 PolarHBondContact O-N 3.42Å; R652-L655 PolarHBondContact O-N 2.72Å; R652-V656 WeakPolarHBondContact O-CB 3.43Å; R652-V656 VanDerWaalsContact O-CG2 3.31Å; R652-V656 WeakPolarHBondContact O-CG2 3.39Å; R652-V656 PolarHBondContact O-N 2.92Å; R652-E692 HydrophobicContact CG-CG 4.27Å; R652-E692 WeakPolarHBondContact CG-OE2 3.2Å; R652-E692 IonicContact CZ-OE1 3.8Å; R652-E692 IonicContact NE-OE1 2.61Å; R652-E692 PolarHBondContact NE-OE1 3.27Å; R652-E692 IonicContact NE-OE2 2.93Å; R652-E692 PolarHBondContact NE-OE2 3.45Å; R652-E692 VanDerWaalsContact NE-OE2 3.17Å; R652-E692 IonicContact NH2-OE1 3.12Å; R652-E692 PolarHBondContact NH2-OE1 3.09Å
653R76Confident74.3Confident121 Ų12145.7 Ų45.746%0.45723%0.23SC..Hα-helixtrans-60.9-42.6176.7-78.2173.5168174.2-2.2112.1R649 N650 M651 V656 H657R649-R653 VanDerWaalsContact O-CG 3.32Å; R649-R653 WeakPolarHBondContact O-CG 3.32Å; R649-R653 PolarHBondContact O-N 2.84Å; N650-R653 PolarHBondContact O-N 3.14Å; M651-R653 VanDerWaalsContact C-N 3.33Å; M651-R653 PolarHBondContact O-N 2.9Å; R653-V656 PolarHBondContact O-N 3.35Å; R653-H657 WeakPolarHBondContact O-CB 3.37Å; R653-H657 PolarHBondContact O-N 3.45Å
654I80.9Confident75.9Confident2 Ų237.8 Ų37.81%0.0120%0.199CC..Hα-helixtrans-61.5-45.6175.6-68.4157.7000110.4H551 I632 V634 I639 N650 M651 R652 H657 A658 L666H551-I654 HydrophobicContact CB-CD1 3.98Å; I632-I654 HydrophobicContact CG2-CG2 4.39Å; V634-I654 HydrophobicContact CG1-CD1 3.89Å; V634-I654 HydrophobicContact CG2-CD1 4.02Å; V634-I654 HydrophobicContact CG2-CG1 4.24Å; V634-I654 HydrophobicContact CG2-CG2 3.8Å; I639-I654 HydrophobicContact CD1-CD1 4.46Å; I639-I654 HydrophobicContact CG1-CD1 4.31Å; N650-I654 WeakPolarHBondContact O-CD1 3.36Å; N650-I654 WeakPolarHBondContact O-CG1 3.38Å; N650-I654 PolarHBondContact O-N 3.46Å; M651-I654 WeakPolarHBondContact O-CB 3.2Å; M651-I654 PolarHBondContact O-N 2.83Å; M651-I654 VanDerWaalsContact O-N 3.14Å; R652-I654 VanDerWaalsContact C-N 3.34Å; R652-I654 PolarHBondContact O-N 3.42Å; I654-H657 WeakPolarHBondContact O-CB 3.48Å; I654-H657 PolarHBondContact O-N 3.23Å; I654-A658 WeakPolarHBondContact O-CB 3.46Å; I654-A658 PolarHBondContact O-N 3.23Å; I654-L666 HydrophobicContact CG2-CD1 3.73Å
655L79.9Confident77.4Confident13 Ų1330.3 Ų30.37%0.06815%0.154CC..Hα-helixtrans-66.1-41.5179.8-69.2167.9000112.5M651 R652 H657 A658 R659 L666 E692 A696M651-L655 HydrophobicContact CG-CD1 3.93Å; M651-L655 HydrophobicContact CG-CG 4.41Å; M651-L655 WeakPolarHBondContact O-CG 3.42Å; M651-L655 PolarHBondContact O-N 2.98Å; M651-L655 HydrophobicContact SD-CD1 4.43Å; M651-L655 HydrophobicContact SD-CG 4.36Å; R652-L655 PolarHBondContact O-N 2.72Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-A658 PolarHBondContact O-N 3.38Å; L655-R659 WeakPolarHBondContact O-CB 3.41Å; L655-R659 VanDerWaalsContact O-CG 3.3Å; L655-R659 WeakPolarHBondContact O-CG 3.42Å; L655-R659 PolarHBondContact O-N 3.4Å; L655-L666 HydrophobicContact CD2-CD2 3.66Å; L655-E692 HydrophobicContact CD1-CB 4.49Å; L655-A696 HydrophobicContact CD1-CB 3.77Å; L655-A696 HydrophobicContact CD2-CB 3.8Å; L655-A696 HydrophobicContact CG-CB 4.32Å
656V77.9Confident78.7Confident10 Ų1028.7 Ų28.76%0.06114%0.137CC..Hα-helixtrans-62.4-42173.5170.60000110.5L267 R652 R653 R659 A660L267-V656 HydrophobicContact CD2-CG1 4.39Å; R652-V656 WeakPolarHBondContact O-CB 3.43Å; R652-V656 VanDerWaalsContact O-CG2 3.31Å; R652-V656 WeakPolarHBondContact O-CG2 3.39Å; R652-V656 PolarHBondContact O-N 2.92Å; R653-V656 PolarHBondContact O-N 3.35Å; V656-R659 PolarHBondContact O-N 2.71Å; V656-A660 VanDerWaalsContact O-CB 3.32Å; V656-A660 WeakPolarHBondContact O-CB 3.41Å; V656-A660 PolarHBondContact O-N 3.13Å
657H78.9Confident79.8Confident6 Ų626.3 Ų26.33%0.02812%0.124CC..Hα-helixtrans-61.2-46.4174.8-173.6-75.7000111.4L267 N547 I632 R653 I654 L655 R659 A660 S661L267-H657 HydrophobicContact CD1-CB 4.43Å; L267-H657 HydrophobicContact CD2-CB 4.17Å; N547-H657 PolarHBondContact O-CD2 3.25Å; I632-H657 VanDerWaalsContact CD1-ND1 3.32Å; I632-H657 WeakPolarHBondContact CD1-ND1 3.38Å; R653-H657 WeakPolarHBondContact O-CB 3.37Å; R653-H657 PolarHBondContact O-N 3.45Å; I654-H657 WeakPolarHBondContact O-CB 3.48Å; I654-H657 PolarHBondContact O-N 3.23Å; L655-H657 VanDerWaalsContact C-N 3.32Å; H657-R659 PolarHBondContact O-N 2.92Å; H657-A660 PolarHBondContact O-N 2.89Å; H657-S661 PolarHBondContact O-N 3Å; H657-S661 PolarHBondContact O-OG 3.45Å
658A81.7Confident80.7Confident1 Ų126 Ų261%0.00812%0.122CC..Hα-helixtrans-60.9-4417800000113.1I632 I654 L655 A660 S661 A662 L666 V707I632-A658 HydrophobicContact CD1-CB 3.71Å; I654-A658 WeakPolarHBondContact O-CB 3.46Å; I654-A658 PolarHBondContact O-N 3.23Å; L655-A658 PolarHBondContact O-N 3.38Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 2.79Å; A658-S661 PolarHBondContact O-N 3.4Å; A658-A662 PolarHBondContact O-N 2.94Å; A658-L666 HydrophobicContact CB-CB 4.32Å; A658-L666 HydrophobicContact CB-CD2 4.34Å; A658-V707 HydrophobicContact CB-CG1 4.01Å; A658-V707 HydrophobicContact CB-CG2 4.35Å; A658-V707 WeakPolarHBondContact O-CG2 3.44Å
659R80Confident81.5Confident48 Ų4825 Ų2518%0.18112%0.118CC..Hα-helixtrans-64.5-38.6175.3-70.1171.5178.6161.6-2.3112L429 L655 V656 H657 S661 A662 A696 V707L429-R659 HydrophobicContact CD2-CB 3.71Å; L655-R659 WeakPolarHBondContact O-CB 3.41Å; L655-R659 VanDerWaalsContact O-CG 3.3Å; L655-R659 WeakPolarHBondContact O-CG 3.42Å; L655-R659 PolarHBondContact O-N 3.4Å; V656-R659 PolarHBondContact O-N 2.71Å; H657-R659 PolarHBondContact O-N 2.92Å; R659-S661 VanDerWaalsContact C-N 3.27Å; R659-S661 PolarHBondContact O-N 2.6Å; R659-A662 VanDerWaalsContact O-CB 3.3Å; R659-A662 WeakPolarHBondContact O-CB 3.33Å; R659-A662 PolarHBondContact O-N 2.96Å; R659-A696 VanDerWaalsContact NH2-CA 3.27Å; R659-A696 VanDerWaalsContact NH2-CB 3.3Å; R659-V707 HydrophobicContact CG-CG2 4.27Å
660A77.1Confident82.3Confident1 Ų123.1 Ų23.11%0.00811%0.113CC..Hα-helixtrans-68-28.5176.100000112.2L267 S431 L432 V656 H657 A658 A662L267-A660 HydrophobicContact CD1-CB 3.81Å; L267-A660 HydrophobicContact CG-CB 4.1Å; S431-A660 CarbonylContact C-O 3.58Å; S431-A660 WeakPolarHBondContact CA-O 3.47Å; S431-A660 VanDerWaalsContact CB-O 3.25Å; S431-A660 WeakPolarHBondContact CB-O 3.39Å; L432-A660 HydrophobicContact CD1-CB 4.44Å; L432-A660 HydrophobicContact CG-CB 4.29Å; L432-A660 PolarHBondContact N-O 3.32Å; V656-A660 VanDerWaalsContact O-CB 3.32Å; V656-A660 WeakPolarHBondContact O-CB 3.41Å; V656-A660 PolarHBondContact O-N 3.13Å; H657-A660 PolarHBondContact O-N 2.89Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 2.79Å; A660-A662 VanDerWaalsContact C-N 3.34Å
661S78.4Confident82.7Confident14 Ų1422.4 Ų22.410%0.09811%0.11CC..THydrogen-bonded Turntrans-85.30.2175.6-58.70000114.4L432 H657 A658 R659L432-S661 VanDerWaalsContact CD1-OG 3.27Å; L432-S661 WeakPolarHBondContact CD1-OG 3.49Å; H657-S661 PolarHBondContact O-N 3Å; H657-S661 PolarHBondContact O-OG 3.45Å; A658-S661 PolarHBondContact O-N 3.4Å; R659-S661 VanDerWaalsContact C-N 3.27Å; R659-S661 PolarHBondContact O-N 2.6Å
662A79.1Confident82.7Confident28 Ų2823.1 Ų23.123%0.23111%0.113CC..  trans-63.4143.7-170.600000113.2A658 R659 A660 V707A658-A662 PolarHBondContact O-N 2.94Å; R659-A662 VanDerWaalsContact O-CB 3.3Å; R659-A662 WeakPolarHBondContact O-CB 3.33Å; R659-A662 PolarHBondContact O-N 2.96Å; A660-A662 VanDerWaalsContact C-N 3.34Å; A662-V707 HydrophobicContact CB-CG2 3.99Å
663P80.6Confident82.7Confident65 Ų6523.9 Ų23.942%0.42212%0.122SC..SBendcis-70.1130.2-0.429.5-34.5000112.1L629 P630 Q706L629-P663 HydrophobicContact CD2-CB 4.14Å; L629-P663 HydrophobicContact CD2-CG 3.96Å; P630-P663 WeakPolarHBondContact CD-O 3.21Å; P663-Q706 WeakPolarHBondContact CA-O 3.31Å; P663-Q706 HydrophobicContact CB-CB 4.31Å
664A84.8Confident82.5Confident2 Ų218.3 Ų18.32%0.01710%0.101CC..EExtended strand (participates in β ladder)trans-148.4156.5-173.200000112P630 Q706 V707 I708P630-A664 HydrophobicContact CB-CB 4.28Å; A664-Q706 PolarHBondContact N-O 3.15Å; A664-V707 WeakPolarHBondContact O-CA 3.26Å; A664-I708 PolarHBondContact O-N 2.95Å
665I89.7Confident81.6Confident1 Ų118.5 Ų18.51%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-103117.2173.9-63172.8000108.3V620 L623 A624 L629 P630 L631 I632 V710V620-I665 HydrophobicContact CG1-CG2 4.01Å; L623-I665 HydrophobicContact CD2-CD1 4.09Å; L623-I665 HydrophobicContact CG-CD1 4.14Å; A624-I665 HydrophobicContact CB-CD1 3.94Å; L629-I665 HydrophobicContact CD1-CD1 4.36Å; L629-I665 HydrophobicContact CD1-CG1 4.28Å; P630-I665 PolarHBondContact O-N 3.17Å; L631-I665 HydrophobicContact CD1-CB 4.18Å; L631-I665 HydrophobicContact CD1-CG2 3.86Å; I632-I665 PolarHBondContact N-O 3.4Å; I665-V710 HydrophobicContact CG2-CB 4.43Å; I665-V710 HydrophobicContact CG2-CG2 3.75Å
666L90.9Very high80.4Confident2 Ų219.8 Ų19.81%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-93.2112170.1175.159.1000108.4I632 I654 L655 A658 I668 V707 I708 L709 V710I632-L666 HydrophobicContact CB-CD1 4.19Å; I632-L666 HydrophobicContact CG2-CD1 3.8Å; I654-L666 HydrophobicContact CG2-CD1 3.73Å; L655-L666 HydrophobicContact CD2-CD2 3.66Å; A658-L666 HydrophobicContact CB-CB 4.32Å; A658-L666 HydrophobicContact CB-CD2 4.34Å; L666-I668 HydrophobicContact CG-CG1 4.41Å; L666-V707 HydrophobicContact CB-CG1 3.92Å; L666-I708 PolarHBondContact N-O 3.49Å; L666-L709 HydrophobicContact CB-CD1 4.27Å; L666-L709 HydrophobicContact CD2-CD1 3.84Å; L666-L709 HydrophobicContact CG-CD1 3.85Å; L666-V710 PolarHBondContact O-N 2.82Å
667F92.7Very high79.1Confident5 Ų521.8 Ų21.82%0.02213%0.125CC..EExtended strand (participates in β ladder)trans-103.1119.7178.6178.8-118.2000111.1T617 V620 L631 I632 A633 V634 D669 V710 A712T617-F667 HydrophobicContact CG2-CE1 3.7Å; T617-F667 HydrophobicContact CG2-CZ 4.29Å; V620-F667 HydrophobicContact CB-CD2 4Å; V620-F667 HydrophobicContact CB-CE2 4.26Å; V620-F667 HydrophobicContact CB-CG 4.29Å; V620-F667 HydrophobicContact CG1-CB 3.91Å; V620-F667 HydrophobicContact CG1-CD2 3.75Å; V620-F667 HydrophobicContact CG1-CE2 4.49Å; V620-F667 HydrophobicContact CG1-CG 3.86Å; V620-F667 HydrophobicContact CG2-CD2 3.71Å; V620-F667 HydrophobicContact CG2-CE2 3.66Å; V620-F667 HydrophobicContact CG2-CG 4.48Å; V620-F667 HydrophobicContact CG2-CZ 4.4Å; L631-F667 HydrophobicContact CD1-CB 3.81Å; I632-F667 PolarHBondContact O-N 2.65Å; A633-F667 CarbonylContact C-O 3.54Å; A633-F667 WeakPolarHBondContact CA-O 3.33Å; A633-F667 HydrophobicContact CB-CB 4.47Å; A633-F667 HydrophobicContact CB-CD1 4.09Å; V634-F667 PolarHBondContact N-O 2.73Å; F667-D669 HydrophobicContact CE1-CB 3.64Å; F667-D669 HydrophobicContact CZ-CB 3.79Å; F667-V710 CarbonylContact C-O 3.51Å; F667-V710 VanDerWaalsContact CA-O 3.25Å; F667-V710 WeakPolarHBondContact CA-O 3.35Å; F667-V710 HydrophobicContact CD2-CB 4.1Å; F667-V710 HydrophobicContact CD2-CG1 4.01Å; F667-V710 WeakPolarHBondContact CD2-O 3.49Å; F667-V710 HydrophobicContact CE2-CG1 4.4Å; F667-A712 HydrophobicContact CE2-CB 3.63Å; F667-A712 HydrophobicContact CZ-CB 3.74Å
668I90.7Very high77.7Confident0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-110.4107.6173.7-56.4-178.7000108.6V634 A636 M651 L666 I671 L674 V693 L709 V710 A711 A712V634-I668 WeakPolarHBondContact O-CA 3.25Å; A636-I668 HydrophobicContact CB-CG2 4.47Å; M651-I668 HydrophobicContact CE-CD1 4.37Å; L666-I668 HydrophobicContact CG-CG1 4.41Å; I668-I671 HydrophobicContact CG2-CB 4.26Å; I668-I671 HydrophobicContact CG2-CG1 4.28Å; I668-L674 HydrophobicContact CG2-CD1 4.32Å; I668-V693 HydrophobicContact CD1-CG2 4.43Å; I668-L709 HydrophobicContact CD1-CD1 3.78Å; I668-L709 HydrophobicContact CG1-CD1 4.03Å; I668-V710 PolarHBondContact N-O 3.29Å; I668-A711 CarbonylContact O-C 3.46Å; I668-A711 WeakPolarHBondContact O-CA 3.35Å; I668-A712 PolarHBondContact O-N 3.32Å
669D90Very high76Confident30 Ų3039 Ų3916%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-85.2149.2174.6-145.2-17.3000111T617 V634 A636 F667 I671 A712T617-D669 PolarHBondContact OG1-OD2 3.32Å; V634-D669 PolarHBondContact O-N 3.34Å; A636-D669 WeakPolarHBondContact CB-O 3.17Å; A636-D669 PolarHBondContact N-O 2.75Å; F667-D669 HydrophobicContact CE1-CB 3.64Å; F667-D669 HydrophobicContact CZ-CB 3.79Å; D669-I671 VanDerWaalsContact C-N 3.34Å; D669-I671 PolarHBondContact O-N 2.8Å; D669-A712 WeakPolarHBondContact OD1-CB 3.29Å
670E86.9Confident74.6Confident56 Ų5640.3 Ų40.326%0.26222%0.215SC..THydrogen-bonded Turntrans54.644.2-178.5-54.7-179.8144.200113.2Q635 A636 D672 L673 A712Q635-E670 PolarHBondContact NE2-OE2 2.98Å; A636-E670 WeakPolarHBondContact CB-O 3.41Å; E670-D672 PolarHBondContact O-N 2.97Å; E670-L673 HydrophobicContact CB-CD1 3.8Å; E670-L673 HydrophobicContact CB-CG 4.08Å; E670-L673 WeakPolarHBondContact O-CB 3.44Å; E670-L673 PolarHBondContact O-N 3.38Å; E670-A712 WeakPolarHBondContact CA-O 3.48Å; E670-A712 PolarHBondContact N-O 2.84Å
671I84.8Confident73.3Confident2 Ų244.3 Ų44.31%0.0126%0.256CS..G310 helixtrans-58.3-23.2-176.9-163.3167.9000112.9L607 I668 D669 L673 L674 L675 A711 A712 L719 L723 F729L607-I671 HydrophobicContact CD1-CG2 4.33Å; I668-I671 HydrophobicContact CG2-CB 4.26Å; I668-I671 HydrophobicContact CG2-CG1 4.28Å; D669-I671 VanDerWaalsContact C-N 3.34Å; D669-I671 PolarHBondContact O-N 2.8Å; I671-L673 PolarHBondContact O-N 3.26Å; I671-L674 HydrophobicContact CG1-CD1 4.44Å; I671-L674 WeakPolarHBondContact O-CB 3.42Å; I671-L674 PolarHBondContact O-N 3.28Å; I671-L675 HydrophobicContact CG1-CD1 4.14Å; I671-L675 HydrophobicContact CG2-CD1 4.41Å; I671-L675 WeakPolarHBondContact O-CD1 3.45Å; I671-L675 WeakPolarHBondContact O-CG 3.45Å; I671-A711 HydrophobicContact CB-CB 4.18Å; I671-A711 HydrophobicContact CD1-CB 3.5Å; I671-A711 VanDerWaalsContact CD1-CB 3.5Å; I671-A711 HydrophobicContact CG1-CB 4.42Å; I671-A711 HydrophobicContact CG2-CB 4.04Å; I671-A712 PolarHBondContact N-O 3.24Å; I671-L719 HydrophobicContact CG2-CD2 3.9Å; I671-L723 HydrophobicContact CD1-CD1 4.39Å; I671-F729 HydrophobicContact CD1-CZ 4.1Å
672D80.6Confident72Confident16 Ų1651.6 Ų51.69%0.08629%0.289CS..G310 helixtrans-59.3-21.9172.948.8-59.1000113.6E670 L674 L675 T713 N718 L719E670-D672 PolarHBondContact O-N 2.97Å; D672-L674 VanDerWaalsContact C-N 3.33Å; D672-L675 CarbonylContact O-C 3.53Å; D672-L675 PolarHBondContact O-N 3.25Å; D672-L675 VanDerWaalsContact O-N 3.14Å; D672-T713 WeakPolarHBondContact CB-OG1 3.32Å; D672-T713 WeakPolarHBondContact OD1-CB 3.37Å; D672-T713 PolarHBondContact OD1-OG1 3.18Å; D672-N718 HydrophobicContact CB-CB 4.32Å; D672-L719 HydrophobicContact CB-CD2 4.14Å
673L76.2Confident70.8Confident79 Ų7952.2 Ų52.241%0.41429%0.29SS..G310 helixtrans-73.3-23.5172.9-61178.9000113.2A636 F640 E670 I671 L675A636-L673 HydrophobicContact CB-CB 4.04Å; F640-L673 WeakPolarHBondContact CZ-O 3.45Å; E670-L673 HydrophobicContact CB-CD1 3.8Å; E670-L673 HydrophobicContact CB-CG 4.08Å; E670-L673 WeakPolarHBondContact O-CB 3.44Å; E670-L673 PolarHBondContact O-N 3.38Å; I671-L673 PolarHBondContact O-N 3.26Å; L673-L675 PolarHBondContact O-N 3.06Å
674L71.2Confident69.9Low4 Ų452.6 Ų52.62%0.02129%0.294CS..G310 helixtrans-80.7-2.3170.2-57.1-178.5000111.9A636 I639 F640 M651 I668 I671 D672 S686 V689A636-L674 HydrophobicContact CB-CD1 4.27Å; A636-L674 HydrophobicContact CB-CD2 3.99Å; A636-L674 HydrophobicContact CB-CG 3.72Å; I639-L674 HydrophobicContact CD1-CD1 4.32Å; F640-L674 HydrophobicContact CE1-CD2 4.29Å; F640-L674 HydrophobicContact CE2-CD2 3.72Å; F640-L674 HydrophobicContact CZ-CD2 3.54Å; M651-L674 HydrophobicContact CE-CD1 3.85Å; I668-L674 HydrophobicContact CG2-CD1 4.32Å; I671-L674 HydrophobicContact CG1-CD1 4.44Å; I671-L674 WeakPolarHBondContact O-CB 3.42Å; I671-L674 PolarHBondContact O-N 3.28Å; D672-L674 VanDerWaalsContact C-N 3.33Å; L674-S686 WeakPolarHBondContact O-CB 3.35Å; L674-V689 HydrophobicContact CD1-CG1 4.28Å; L674-V689 HydrophobicContact CD2-CG1 4.18Å
675L62Low68.7Low5 Ų554.6 Ų54.63%0.02631%0.311CS..  trans-13564.9-165.9-58.5164.8000110.9I671 D672 L673 S677 L690 L719 D720 L723I671-L675 HydrophobicContact CG1-CD1 4.14Å; I671-L675 HydrophobicContact CG2-CD1 4.41Å; I671-L675 WeakPolarHBondContact O-CD1 3.45Å; I671-L675 WeakPolarHBondContact O-CG 3.45Å; D672-L675 CarbonylContact O-C 3.53Å; D672-L675 PolarHBondContact O-N 3.25Å; D672-L675 VanDerWaalsContact O-N 3.14Å; L673-L675 PolarHBondContact O-N 3.06Å; L675-S677 PolarHBondContact O-N 2.84Å; L675-L690 HydrophobicContact CD2-CD1 3.62Å; L675-L690 HydrophobicContact CD2-CD2 3.51Å; L675-L690 HydrophobicContact CD2-CG 4.07Å; L675-L719 HydrophobicContact CD1-CB 4.28Å; L675-L719 HydrophobicContact CD1-CD2 3.29Å; L675-L719 HydrophobicContact CD1-CG 4.36Å; L675-D720 HydrophobicContact CD2-CB 3.78Å; L675-L723 HydrophobicContact CD1-CD1 3.25Å; L675-L723 HydrophobicContact CD2-CD1 3.64Å; L675-L723 HydrophobicContact CG-CD1 4.03Å
676P54.2Low67.6Low40 Ų4054.9 Ų54.926%0.2631%0.313SS..  trans-62.3118.3167.923.9-27.5000108.4R678 T680 S686P676-R678 PolarHBondContact O-N 2.81Å; P676-T680 WeakPolarHBondContact CB-OG1 3.41Å; P676-S686 WeakPolarHBondContact CD-OG 3.5Å; P676-S686 WeakPolarHBondContact CG-OG 3.44Å
677S50.3Low66.5Low52 Ų5259.4 Ų59.436%0.36433%0.334SS..  trans-50.2134.3162.9-39.80000107.1L675 N679 N718L675-S677 PolarHBondContact O-N 2.84Å; S677-N679 PolarHBondContact O-N 3.25Å; S677-N718 WeakPolarHBondContact OG-CA 3.34Å; S677-N718 PolarHBondContact OG-O 2.83Å
678R49.2Very low65.4Low212 Ų21264.6 Ų64.680%0.836%0.358SS*.THydrogen-bonded Turntrans-431.3-168.6-68.1179.7171.3-180-3.7119.1P676P676-R678 PolarHBondContact O-N 2.81Å
679N47.6Very low64.6Low157 Ų15764.6 Ų64.684%0.8436%0.358SS*.THydrogen-bonded Turntrans-88.6-9.9-178.1-67.80.2000114.8S677S677-N679 PolarHBondContact O-N 3.25Å
680T50.1Low63.9Low75 Ų7563.7 Ų63.746%0.4635%0.353SS..SBendtrans-110.3114.2174.955.70000109.7P676 E682 T683P676-T680 WeakPolarHBondContact CB-OG1 3.41Å; T680-E682 PolarHBondContact O-N 2.88Å; T680-T683 VanDerWaalsContact O-CG2 3.32Å; T680-T683 WeakPolarHBondContact O-CG2 3.46Å
681G48.6Very low63.2Low85 Ų8562.4 Ų62.488%0.87636%0.355SS*.SBendtrans-63.721-172.800000117.6T683G681-T683 VanDerWaalsContact C-N 3.3Å
682E52Low62.9Low168 Ų16863.2 Ų63.279%0.78536%0.358SS*.  trans-93.524.3174.6-64.1-173.5157.900112.2T680 S684T680-E682 PolarHBondContact O-N 2.88Å; E682-S684 PolarHBondContact O-N 2.81Å
683T54.9Low62.8Low40 Ų4062.6 Ų62.625%0.24536%0.355CS..Hα-helixtrans-71.1-25.1-15953.80000115.9T680 G681 S686 E687T680-T683 VanDerWaalsContact O-CG2 3.32Å; T680-T683 WeakPolarHBondContact O-CG2 3.46Å; G681-T683 VanDerWaalsContact C-N 3.3Å; T683-S686 PolarHBondContact O-OG 3.27Å; T683-E687 VanDerWaalsContact O-CB 3.27Å; T683-E687 WeakPolarHBondContact O-CB 3.41Å; T683-E687 WeakPolarHBondContact O-CG 3.48Å; T683-E687 PolarHBondContact O-N 2.95Å; T683-E687 VanDerWaalsContact O-N 3.09Å
684S60.6Low62.7Low74 Ų7459.7 Ų59.752%0.51734%0.34SS..Hα-helixtrans-66.9-50.5-166.859.30000113.1E682 S686 E687 H688E682-S684 PolarHBondContact O-N 2.81Å; S684-S686 PolarHBondContact O-N 3.2Å; S684-E687 PolarHBondContact O-N 2.97Å; S684-H688 PolarHBondContact O-CD2 3.49Å; S684-H688 PolarHBondContact O-N 3.19Å; S684-H688 VanDerWaalsContact O-N 3.1Å
685A59.1Low62.8Low44 Ų4465.1 Ų65.136%0.36437%0.367SS..Hα-helixtrans-66.3-38.6-174.400000112.8V689A685-V689 VanDerWaalsContact O-CG2 3.26Å; A685-V689 WeakPolarHBondContact O-CG2 3.09Å; A685-V689 PolarHBondContact O-N 2.91Å
686S66.4Low63.3Low6 Ų666 Ų664%0.04238%0.375CS..Hα-helixtrans-71.4-41.6179.753.50000111.8L674 P676 T683 S684 H688 V689 L690L674-S686 WeakPolarHBondContact O-CB 3.35Å; P676-S686 WeakPolarHBondContact CD-OG 3.5Å; P676-S686 WeakPolarHBondContact CG-OG 3.44Å; T683-S686 PolarHBondContact O-OG 3.27Å; S684-S686 PolarHBondContact O-N 3.2Å; S686-H688 PolarHBondContact O-N 2.84Å; S686-V689 PolarHBondContact O-N 2.99Å; S686-L690 WeakPolarHBondContact O-CB 3.28Å; S686-L690 PolarHBondContact O-N 2.9Å
687E68Low64.1Low97 Ų9765.3 Ų65.345%0.45337%0.368SS..Hα-helixtrans-61.4-40.2174.9-74.7176.7179.300112.3T683 S684 L690 G691T683-E687 VanDerWaalsContact O-CB 3.27Å; T683-E687 WeakPolarHBondContact O-CB 3.41Å; T683-E687 WeakPolarHBondContact O-CG 3.48Å; T683-E687 PolarHBondContact O-N 2.95Å; T683-E687 VanDerWaalsContact O-N 3.09Å; S684-E687 PolarHBondContact O-N 2.97Å; E687-L690 WeakPolarHBondContact O-CB 3.19Å; E687-L690 PolarHBondContact O-N 3.3Å; E687-G691 PolarHBondContact O-N 2.83Å
688H70.4Confident64.9Low114 Ų11467 Ų6753%0.52837%0.373SS..Hα-helixtrans-66.4-43.1176.4-67.7-52.6000112.5S684 S686 L690 G691 E692S684-H688 PolarHBondContact O-CD2 3.49Å; S684-H688 PolarHBondContact O-N 3.19Å; S684-H688 VanDerWaalsContact O-N 3.1Å; S686-H688 PolarHBondContact O-N 2.84Å; H688-L690 VanDerWaalsContact C-N 3.31Å; H688-L690 PolarHBondContact O-N 2.88Å; H688-G691 PolarHBondContact O-N 3.49Å; H688-E692 PolarHBondContact O-N 3.11Å
689V74.6Confident65.4Low0 Ų057.8 Ų57.80%035%0.345CS..Hα-helixtrans-63.3-39.3175.61730000111.1I639 S647 M651 L674 A685 S686 G691 E692 V693I639-V689 HydrophobicContact CG2-CG1 4.31Å; S647-V689 VanDerWaalsContact CB-CG2 3.48Å; M651-V689 HydrophobicContact CB-CG1 4.08Å; M651-V689 HydrophobicContact CE-CG1 3.43Å; M651-V689 VanDerWaalsContact CE-CG1 3.43Å; M651-V689 HydrophobicContact CG-CG1 4.11Å; L674-V689 HydrophobicContact CD1-CG1 4.28Å; L674-V689 HydrophobicContact CD2-CG1 4.18Å; A685-V689 VanDerWaalsContact O-CG2 3.26Å; A685-V689 WeakPolarHBondContact O-CG2 3.09Å; A685-V689 PolarHBondContact O-N 2.91Å; S686-V689 PolarHBondContact O-N 2.99Å; V689-G691 VanDerWaalsContact C-N 3.35Å; V689-E692 WeakPolarHBondContact O-CB 3.13Å; V689-E692 PolarHBondContact O-N 2.79Å; V689-V693 PolarHBondContact O-N 3.44Å
690L74.2Confident65.1Low11 Ų1155.6 Ų55.66%0.05834%0.336CS..Hα-helixtrans-61.2-44.8174.1179.462.2000111.4L675 S686 E687 H688 E692 V693 L694 D720 L723L675-L690 HydrophobicContact CD2-CD1 3.62Å; L675-L690 HydrophobicContact CD2-CD2 3.51Å; L675-L690 HydrophobicContact CD2-CG 4.07Å; S686-L690 WeakPolarHBondContact O-CB 3.28Å; S686-L690 PolarHBondContact O-N 2.9Å; E687-L690 WeakPolarHBondContact O-CB 3.19Å; E687-L690 PolarHBondContact O-N 3.3Å; H688-L690 VanDerWaalsContact C-N 3.31Å; H688-L690 PolarHBondContact O-N 2.88Å; L690-E692 PolarHBondContact O-N 3.1Å; L690-V693 PolarHBondContact O-N 3.23Å; L690-V693 VanDerWaalsContact O-N 3.14Å; L690-L694 HydrophobicContact CD1-CD1 4.22Å; L690-L694 HydrophobicContact CD1-CG 4.11Å; L690-L694 HydrophobicContact CD2-CD1 4.33Å; L690-L694 HydrophobicContact CG-CD1 3.86Å; L690-L694 HydrophobicContact CG-CG 4.2Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 VanDerWaalsContact O-CG 3.32Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 2.78Å; L690-D720 HydrophobicContact CD2-CB 4.19Å; L690-D720 WeakPolarHBondContact CD2-OD2 3.44Å; L690-L723 HydrophobicContact CD1-CD1 3.98Å; L690-L723 HydrophobicContact CD1-CD2 3.78Å; L690-L723 HydrophobicContact CD1-CG 3.99Å
691G73Confident64.6Low29 Ų2959.4 Ų59.430%0.29935%0.349SS..Hα-helixtrans-53.2-42.9175.400000112.3E687 H688 V689 L694 M695E687-G691 PolarHBondContact O-N 2.83Å; H688-G691 PolarHBondContact O-N 3.49Å; V689-G691 VanDerWaalsContact C-N 3.35Å; G691-L694 PolarHBondContact O-N 3.18Å; G691-M695 WeakPolarHBondContact O-CB 3.49Å; G691-M695 VanDerWaalsContact O-CG 3.31Å; G691-M695 WeakPolarHBondContact O-CG 3.34Å; G691-M695 PolarHBondContact O-N 3.32Å
692E77.4Confident64.3Low19 Ų1959.3 Ų59.39%0.08935%0.348CS..Hα-helixtrans-63.8-44.2176.1-75.9-64.7142.400113.4E648 M651 R652 L655 H688 V689 L690 L694 M695 A696E648-E692 HydrophobicContact CG-CG 3.73Å; M651-E692 HydrophobicContact CG-CB 4.19Å; R652-E692 HydrophobicContact CG-CG 4.27Å; R652-E692 WeakPolarHBondContact CG-OE2 3.2Å; R652-E692 IonicContact CZ-OE1 3.8Å; R652-E692 IonicContact NE-OE1 2.61Å; R652-E692 PolarHBondContact NE-OE1 3.27Å; R652-E692 IonicContact NE-OE2 2.93Å; R652-E692 PolarHBondContact NE-OE2 3.45Å; R652-E692 VanDerWaalsContact NE-OE2 3.17Å; R652-E692 IonicContact NH2-OE1 3.12Å; R652-E692 PolarHBondContact NH2-OE1 3.09Å; L655-E692 HydrophobicContact CD1-CB 4.49Å; H688-E692 PolarHBondContact O-N 3.11Å; V689-E692 WeakPolarHBondContact O-CB 3.13Å; V689-E692 PolarHBondContact O-N 2.79Å; L690-E692 PolarHBondContact O-N 3.1Å; E692-L694 VanDerWaalsContact C-N 3.35Å; E692-M695 WeakPolarHBondContact OE1-CE 3.39Å; E692-A696 WeakPolarHBondContact O-CB 3.2Å; E692-A696 PolarHBondContact O-N 3.44Å
693V79.3Confident63.7Low4 Ų457.5 Ų57.52%0.02434%0.34CS..Hα-helixtrans-63-45.2176.7177.40000110.3M651 I668 V689 L690 A696 M697 L709M651-V693 HydrophobicContact CE-CG2 3.44Å; M651-V693 VanDerWaalsContact CE-CG2 3.44Å; M651-V693 HydrophobicContact CG-CG2 3.96Å; M651-V693 HydrophobicContact SD-CG2 3.66Å; I668-V693 HydrophobicContact CD1-CG2 4.43Å; V689-V693 PolarHBondContact O-N 3.44Å; L690-V693 PolarHBondContact O-N 3.23Å; L690-V693 VanDerWaalsContact O-N 3.14Å; V693-A696 WeakPolarHBondContact O-CB 3.42Å; V693-A696 PolarHBondContact O-N 2.99Å; V693-A696 VanDerWaalsContact O-N 3.17Å; V693-M697 HydrophobicContact CG1-SD 4.36Å; V693-M697 WeakPolarHBondContact O-CG 3.45Å; V693-M697 PolarHBondContact O-N 3.35Å; V693-L709 HydrophobicContact CG1-CD2 3.78Å
694L74.1Confident63.2Low17 Ų1757.8 Ų57.89%0.08934%0.34CS..Hα-helixtrans-63.9-46.7179.3-71.4178.7000112.1L690 G691 E692 A696 M697 D698 A722 L723L690-L694 HydrophobicContact CD1-CD1 4.22Å; L690-L694 HydrophobicContact CD1-CG 4.11Å; L690-L694 HydrophobicContact CD2-CD1 4.33Å; L690-L694 HydrophobicContact CG-CD1 3.86Å; L690-L694 HydrophobicContact CG-CG 4.2Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 VanDerWaalsContact O-CG 3.32Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 2.78Å; G691-L694 PolarHBondContact O-N 3.18Å; E692-L694 VanDerWaalsContact C-N 3.35Å; L694-A696 PolarHBondContact O-N 2.89Å; L694-M697 PolarHBondContact O-N 2.94Å; L694-M697 VanDerWaalsContact O-N 3.11Å; L694-D698 WeakPolarHBondContact O-CB 3.13Å; L694-D698 VanDerWaalsContact O-CG 3.29Å; L694-D698 PolarHBondContact O-N 3.24Å; L694-A722 HydrophobicContact CD1-CB 4.23Å; L694-L723 HydrophobicContact CD2-CD2 3.4Å; L694-L723 HydrophobicContact CD2-CG 4.49Å; L694-L723 HydrophobicContact CG-CD2 4.24Å
695M72.2Confident62.8Low118 Ų11856 Ų5658%0.58133%0.333SS*.Hα-helixtrans-60.4-32.8174.2-75.9-158-59.500112G691 E692 G699G691-M695 WeakPolarHBondContact O-CB 3.49Å; G691-M695 VanDerWaalsContact O-CG 3.31Å; G691-M695 WeakPolarHBondContact O-CG 3.34Å; G691-M695 PolarHBondContact O-N 3.32Å; E692-M695 WeakPolarHBondContact OE1-CE 3.39Å; M695-G699 PolarHBondContact O-N 3.27Å; M695-G699 VanDerWaalsContact O-N 3.15Å
696A72.3Confident63.4Low24 Ų2458 Ų5820%0.19834%0.335CS..Hα-helixtrans-71.7-32.8176.500000113.5L655 R659 E692 V693 L694L655-A696 HydrophobicContact CD1-CB 3.77Å; L655-A696 HydrophobicContact CD2-CB 3.8Å; L655-A696 HydrophobicContact CG-CB 4.32Å; R659-A696 VanDerWaalsContact NH2-CA 3.27Å; R659-A696 VanDerWaalsContact NH2-CB 3.3Å; E692-A696 WeakPolarHBondContact O-CB 3.2Å; E692-A696 PolarHBondContact O-N 3.44Å; V693-A696 WeakPolarHBondContact O-CB 3.42Å; V693-A696 PolarHBondContact O-N 2.99Å; V693-A696 VanDerWaalsContact O-N 3.17Å; L694-A696 PolarHBondContact O-N 2.89Å
697M71.7Confident64.1Low25 Ų2559.6 Ų59.612%0.12334%0.344CS..Hα-helixtrans-75.7-45.3174.4-67.6178.378.900112.7V693 L694 G699 L709 R728 F729V693-M697 HydrophobicContact CG1-SD 4.36Å; V693-M697 WeakPolarHBondContact O-CG 3.45Å; V693-M697 PolarHBondContact O-N 3.35Å; L694-M697 PolarHBondContact O-N 2.94Å; L694-M697 VanDerWaalsContact O-N 3.11Å; M697-G699 PolarHBondContact O-N 3.48Å; M697-G699 VanDerWaalsContact O-N 3.15Å; M697-L709 HydrophobicContact CE-CD2 3.92Å; M697-L709 HydrophobicContact CG-CD2 3.77Å; M697-L709 HydrophobicContact SD-CD2 3.36Å; M697-L709 WeakPolarHBondContact SD-CD2 3.19Å; M697-R728 HydrophobicContact CE-CB 3.76Å; M697-R728 WeakPolarHBondContact CE-O 3.19Å; M697-R728 HydrophobicContact SD-CB 4.43Å; M697-F729 HydrophobicContact CE-CD1 4.26Å; M697-F729 HydrophobicContact CE-CE1 4.23Å; M697-F729 HydrophobicContact CE-CZ 4.49Å
698D67.2Low65Low88 Ų8855.2 Ų55.247%0.47132%0.324SS..SBendtrans-68.6-8.7177.5-65.4-14.2000111.3L694 V700 R728L694-D698 WeakPolarHBondContact O-CB 3.13Å; L694-D698 VanDerWaalsContact O-CG 3.29Å; L694-D698 PolarHBondContact O-N 3.24Å; D698-V700 PolarHBondContact O-N 2.97Å; D698-R728 IonicContact OD1-CZ 4Å; D698-R728 IonicContact OD1-NE 2.74Å; D698-R728 PolarHBondContact OD1-NE 2.86Å; D698-R728 IonicContact OD1-NH2 2.92Å; D698-R728 IonicContact OD2-CZ 3.02Å; D698-R728 IonicContact OD2-NE 3.34Å; D698-R728 IonicContact OD2-NH2 3.88Å; D698-R728 PolarHBondContact OD2-NH2 2.79Å
699G59Low66Low19 Ų1950.2 Ų50.220%0.19630%0.301CS..  trans-40.6134.2-176.900000114.2M695 M697 E701M695-G699 PolarHBondContact O-N 3.27Å; M695-G699 VanDerWaalsContact O-N 3.15Å; M697-G699 PolarHBondContact O-N 3.48Å; M697-G699 VanDerWaalsContact O-N 3.15Å; G699-E701 PolarHBondContact O-N 3.22Å
700V43Very low66.8Low110 Ų11050.2 Ų50.267%0.66730%0.301SS*.  trans-47.7121.6-173.8-165.30000111.4D698 G702D698-V700 PolarHBondContact O-N 2.97Å; V700-G702 PolarHBondContact O-N 3.25Å
701E39.2Very low67.5Low156 Ų15649.7 Ų49.773%0.72930%0.298SS*.THydrogen-bonded Turntrans-41.6123.5172.7-58.8-179.3142.500111G699G699-E701 PolarHBondContact O-N 3.22Å
702G41.4Very low68.4Low83 Ų8348.3 Ų48.386%0.85628%0.284SS*.THydrogen-bonded Turntrans104.6-3.5162.600000118.9V700V700-G702 PolarHBondContact O-N 3.25Å
703Q40.6Very low68.9Low129 Ų12947.4 Ų47.460%0.60328%0.28SS*.SBendtrans-126-14.3-178.6-67.5-166.313.200117.5
704N44.3Very low69.1Low47 Ų4749 Ų4925%0.25129%0.288SS..SBendtrans-110.5126.3-177-68.4-10.8000108.9
705G51.5Low69.2Low36 Ų3653.1 Ų53.137%0.37130%0.303SS..  trans-49.3153.9-176.700000113V707G705-V707 PolarHBondContact O-N 3.23Å
706Q71.9Confident69.3Low85 Ų8550 Ų5040%0.39729%0.287SS..  trans-63.276.4-174.3-169176.6900111.7P663 A664P663-Q706 WeakPolarHBondContact CA-O 3.31Å; P663-Q706 HydrophobicContact CB-CB 4.31Å; A664-Q706 PolarHBondContact N-O 3.15Å
707V81.3Confident69.3Low40 Ų4052.6 Ų52.624%0.24230%0.298CS..EExtended strand (participates in β ladder)trans-89121.7171.3-178.60000107.7A658 R659 A662 A664 L666 G705A658-V707 HydrophobicContact CB-CG1 4.01Å; A658-V707 HydrophobicContact CB-CG2 4.35Å; A658-V707 WeakPolarHBondContact O-CG2 3.44Å; R659-V707 HydrophobicContact CG-CG2 4.27Å; A662-V707 HydrophobicContact CB-CG2 3.99Å; A664-V707 WeakPolarHBondContact O-CA 3.26Å; L666-V707 HydrophobicContact CB-CG1 3.92Å; G705-V707 PolarHBondContact O-N 3.23Å
708I87.5Confident69.1Low5 Ų553 Ų533%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-95122.6172.7-62.1175000107.7L581 V602 I606 A664 L666 V710L581-I708 HydrophobicContact CD1-CD1 3.76Å; L581-I708 HydrophobicContact CD2-CD1 3.47Å; L581-I708 VanDerWaalsContact CD2-CD1 3.47Å; L581-I708 HydrophobicContact CG-CD1 3.84Å; V602-I708 HydrophobicContact CG1-CD1 3.66Å; V602-I708 HydrophobicContact CG1-CG1 4.32Å; I606-I708 HydrophobicContact CD1-CG2 3.72Å; I606-I708 HydrophobicContact CG1-CG2 4.36Å; A664-I708 PolarHBondContact O-N 2.95Å; L666-I708 PolarHBondContact N-O 3.49Å; I708-V710 HydrophobicContact CG2-CG2 4.14Å
709L89.7Confident69.2Low9 Ų950.3 Ų50.35%0.04729%0.286CS..EExtended strand (participates in β ladder)trans-86.5121.2173.2-179.667.7000109.2R604 G605 I606 L666 I668 V693 M697 F729R604-L709 PolarHBondContact O-N 3.35Å; G605-L709 CarbonylContact C-O 3.55Å; G605-L709 WeakPolarHBondContact CA-O 3.48Å; I606-L709 PolarHBondContact N-O 3.34Å; L666-L709 HydrophobicContact CB-CD1 4.27Å; L666-L709 HydrophobicContact CD2-CD1 3.84Å; L666-L709 HydrophobicContact CG-CD1 3.85Å; I668-L709 HydrophobicContact CD1-CD1 3.78Å; I668-L709 HydrophobicContact CG1-CD1 4.03Å; V693-L709 HydrophobicContact CG1-CD2 3.78Å; M697-L709 HydrophobicContact CE-CD2 3.92Å; M697-L709 HydrophobicContact CG-CD2 3.77Å; M697-L709 HydrophobicContact SD-CD2 3.36Å; M697-L709 WeakPolarHBondContact SD-CD2 3.19Å; L709-F729 HydrophobicContact CD2-CE1 3.96Å; L709-F729 HydrophobicContact CD2-CZ 3.95Å; L709-F729 HydrophobicContact CG-CE1 4.27Å
710V91.5Very high69.6Low1 Ų151.8 Ų51.81%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-114117.5170.2-173.10000108.3I606 L608 V620 I665 L666 F667 I668 I708I606-V710 HydrophobicContact CB-CG1 4.35Å; I606-V710 HydrophobicContact CB-CG2 4.21Å; I606-V710 HydrophobicContact CD1-CG2 4.03Å; I606-V710 HydrophobicContact CG2-CG1 4.4Å; I606-V710 CarbonylContact O-C 3.44Å; I606-V710 VanDerWaalsContact O-CA 3.31Å; I606-V710 WeakPolarHBondContact O-CA 3.3Å; L608-V710 HydrophobicContact CD1-CG1 3.96Å; L608-V710 HydrophobicContact CG-CG1 4.05Å; V620-V710 HydrophobicContact CG1-CB 4.26Å; V620-V710 HydrophobicContact CG1-CG1 4.22Å; V620-V710 HydrophobicContact CG1-CG2 4.43Å; V620-V710 HydrophobicContact CG2-CG1 3.6Å; I665-V710 HydrophobicContact CG2-CB 4.43Å; I665-V710 HydrophobicContact CG2-CG2 3.75Å; L666-V710 PolarHBondContact O-N 2.82Å; F667-V710 CarbonylContact C-O 3.51Å; F667-V710 VanDerWaalsContact CA-O 3.25Å; F667-V710 WeakPolarHBondContact CA-O 3.35Å; F667-V710 HydrophobicContact CD2-CB 4.1Å; F667-V710 HydrophobicContact CD2-CG1 4.01Å; F667-V710 WeakPolarHBondContact CD2-O 3.49Å; F667-V710 HydrophobicContact CE2-CG1 4.4Å; I668-V710 PolarHBondContact N-O 3.29Å; I708-V710 HydrophobicContact CG2-CG2 4.14Å
711A90.6Very high70.7Confident0 Ų050.1 Ų50.10%028%0.282CS..EExtended strand (participates in β ladder)trans-108.4137.6176.400000109.9I606 L607 L608 I668 I671 F729I606-A711 PolarHBondContact O-N 3.28Å; L607-A711 CarbonylContact C-O 3.53Å; L607-A711 WeakPolarHBondContact CA-O 3.49Å; L607-A711 HydrophobicContact CD1-CB 3.82Å; L608-A711 PolarHBondContact N-O 3Å; I668-A711 CarbonylContact O-C 3.46Å; I668-A711 WeakPolarHBondContact O-CA 3.35Å; I671-A711 HydrophobicContact CB-CB 4.18Å; I671-A711 HydrophobicContact CD1-CB 3.5Å; I671-A711 VanDerWaalsContact CD1-CB 3.5Å; I671-A711 HydrophobicContact CG1-CB 4.42Å; I671-A711 HydrophobicContact CG2-CB 4.04Å; A711-F729 HydrophobicContact CB-CE1 3.71Å; A711-F729 HydrophobicContact CB-CZ 3.56Å
712A90.9Very high72Confident0 Ų043.4 Ų43.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114139.1171.300000110.9L608 K616 F667 I668 D669 E670 I671L608-A712 HydrophobicContact CB-CB 4.36Å; L608-A712 CarbonylContact O-C 3.54Å; L608-A712 WeakPolarHBondContact O-CA 3.46Å; K616-A712 HydrophobicContact CB-CB 4.43Å; F667-A712 HydrophobicContact CE2-CB 3.63Å; F667-A712 HydrophobicContact CZ-CB 3.74Å; I668-A712 PolarHBondContact O-N 3.32Å; D669-A712 WeakPolarHBondContact OD1-CB 3.29Å; E670-A712 WeakPolarHBondContact CA-O 3.48Å; E670-A712 PolarHBondContact N-O 2.84Å; I671-A712 PolarHBondContact N-O 3.24Å
713T87.4Confident73.4Confident0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-136.4148171.8-1770000111.6L607 L608 H609 K616 D672 R715 M716 L719L607-T713 HydrophobicContact CD1-CG2 4.37Å; L608-T713 PolarHBondContact O-N 2.91Å; H609-T713 WeakPolarHBondContact CA-O 3.44Å; H609-T713 HydrophobicContact CB-CG2 3.89Å; K616-T713 WeakPolarHBondContact CE-O 3.17Å; D672-T713 WeakPolarHBondContact CB-OG1 3.32Å; D672-T713 WeakPolarHBondContact OD1-CB 3.37Å; D672-T713 PolarHBondContact OD1-OG1 3.18Å; T713-R715 PolarHBondContact OG1-N 2.82Å; T713-R715 PolarHBondContact OG1-O 3.02Å; T713-M716 HydrophobicContact CG2-CE 3.61Å; T713-L719 HydrophobicContact CG2-CD1 3.97Å; T713-L719 HydrophobicContact CG2-CD2 4.24Å; T713-L719 HydrophobicContact CG2-CG 4.4Å
714N83.6Confident74.7Confident37 Ų3738.1 Ų38.120%0.19822%0.218CC..SBendtrans-87.6-18.3167.1-64.2-46.7000111.7K616 Y822K616-N714 VanDerWaalsContact CE-OD1 3.25Å; K616-N714 WeakPolarHBondContact CE-OD1 3.06Å; K616-N714 PolarHBondContact NZ-OD1 2.96Å; N714-Y822 WeakPolarHBondContact O-CE2 3.31Å
715R76.6Confident76Confident104 Ų10443.5 Ų43.539%0.39224%0.235SC..  trans-132.186.1-168.6-60-17868.9177.2-2111T713 D717 N718T713-R715 PolarHBondContact OG1-N 2.82Å; T713-R715 PolarHBondContact OG1-O 3.02Å; R715-D717 PolarHBondContact O-N 2.9Å; R715-N718 HydrophobicContact CB-CB 4.15Å; R715-N718 PolarHBondContact NE-ND2 3.42Å; R715-N718 PolarHBondContact NH1-ND2 2.91Å; R715-N718 PolarHBondContact NH2-ND2 2.98Å; R715-N718 PolarHBondContact NH2-OD1 3.48Å; R715-N718 VanDerWaalsContact NH2-OD1 3.14Å; R715-N718 PolarHBondContact O-N 3.25Å
716M75.1Confident76.5Confident52 Ų5246.9 Ų46.926%0.25626%0.259SS..G310 helixtrans-54.7-37173.5-80.6-94.6111.700113.1L607 H609 T713 N718 L719L607-M716 HydrophobicContact CD1-CE 4.21Å; L607-M716 HydrophobicContact CD2-CE 3.39Å; L607-M716 HydrophobicContact CG-CE 3.58Å; H609-M716 HydrophobicContact CB-CE 3.37Å; H609-M716 HydrophobicContact CB-CG 3.31Å; H609-M716 HydrophobicContact CB-SD 3.7Å; H609-M716 PolarHBondContact CD2-SD 2.93Å; H609-M716 WeakPolarHBondContact ND1-CG 3.11Å; T713-M716 HydrophobicContact CG2-CE 3.61Å; M716-N718 PolarHBondContact O-N 3.33Å; M716-L719 HydrophobicContact CE-CD1 3.39Å; M716-L719 PolarHBondContact O-N 3.21Å; M716-L719 HydrophobicContact SD-CD1 4.45Å
717D71.9Confident76.3Confident78 Ų7845.3 Ų45.342%0.41727%0.266SS..G310 helixtrans-67.1-21.7-175-48.8-37.1000112.9R715R715-D717 PolarHBondContact O-N 2.9Å
718N67.5Low76.2Confident33 Ų3345.2 Ų45.218%0.17626%0.261CS..G310 helixtrans-87.4-11.1-178.4-83.722.1000113.5D672 S677 R715 M716D672-N718 HydrophobicContact CB-CB 4.32Å; S677-N718 WeakPolarHBondContact OG-CA 3.34Å; S677-N718 PolarHBondContact OG-O 2.83Å; R715-N718 HydrophobicContact CB-CB 4.15Å; R715-N718 PolarHBondContact NE-ND2 3.42Å; R715-N718 PolarHBondContact NH1-ND2 2.91Å; R715-N718 PolarHBondContact NH2-ND2 2.98Å; R715-N718 PolarHBondContact NH2-OD1 3.48Å; R715-N718 VanDerWaalsContact NH2-OD1 3.14Å; R715-N718 PolarHBondContact O-N 3.25Å; M716-N718 PolarHBondContact O-N 3.33Å
719L68.5Low76Confident32 Ų3245.6 Ų45.617%0.16826%0.263CS..SBendtrans-71.4141.6-172.3-60.6-179.5000111.9L607 I671 D672 L675 T713 M716 S721L607-L719 HydrophobicContact CD1-CD1 4.3Å; L607-L719 HydrophobicContact CD2-CD1 3.78Å; I671-L719 HydrophobicContact CG2-CD2 3.9Å; D672-L719 HydrophobicContact CB-CD2 4.14Å; L675-L719 HydrophobicContact CD1-CB 4.28Å; L675-L719 HydrophobicContact CD1-CD2 3.29Å; L675-L719 HydrophobicContact CD1-CG 4.36Å; T713-L719 HydrophobicContact CG2-CD1 3.97Å; T713-L719 HydrophobicContact CG2-CD2 4.24Å; T713-L719 HydrophobicContact CG2-CG 4.4Å; M716-L719 HydrophobicContact CE-CD1 3.39Å; M716-L719 PolarHBondContact O-N 3.21Å; M716-L719 HydrophobicContact SD-CD1 4.45Å; L719-S721 PolarHBondContact O-N 3.39Å
720D67.8Low75.5Confident50 Ų5049 Ų4927%0.26728%0.28SS..  trans-62.1132172.3-171.7-9.3000110.5L675 L690 A722 L723L675-D720 HydrophobicContact CD2-CB 3.78Å; L690-D720 HydrophobicContact CD2-CB 4.19Å; L690-D720 WeakPolarHBondContact CD2-OD2 3.44Å; D720-A722 HydrophobicContact CB-CB 4.44Å; D720-A722 PolarHBondContact O-N 3.49Å; D720-A722 PolarHBondContact OD1-N 3.13Å; D720-L723 PolarHBondContact O-N 2.76Å
721S66.8Low75.2Confident75 Ų7550.4 Ų50.452%0.52429%0.288SS..THydrogen-bonded Turntrans-48.9-23.4168.264.80000114.3L719 L723 S724L719-S721 PolarHBondContact O-N 3.39Å; S721-L723 VanDerWaalsContact C-N 3.29Å; S721-L723 PolarHBondContact O-N 3.1Å; S721-S724 PolarHBondContact O-N 3.03Å; S721-S724 PolarHBondContact O-OG 3.48Å
722A66.8Low75.2Confident16 Ų1654.1 Ų54.113%0.13231%0.31CS..THydrogen-bonded Turntrans-62.3-35173.900000112.5L694 D720 R728L694-A722 HydrophobicContact CD1-CB 4.23Å; D720-A722 HydrophobicContact CB-CB 4.44Å; D720-A722 PolarHBondContact O-N 3.49Å; D720-A722 PolarHBondContact OD1-N 3.13Å; A722-R728 PolarHBondContact O-NH1 2.94Å
723L69.7Low75.2Confident2 Ų254.5 Ų54.51%0.0131%0.312CS..THydrogen-bonded Turntrans-79.5-26.3-179.9-70171.9000112.9I671 L675 L690 L694 D720 S721 R725 F729I671-L723 HydrophobicContact CD1-CD1 4.39Å; L675-L723 HydrophobicContact CD1-CD1 3.25Å; L675-L723 HydrophobicContact CD2-CD1 3.64Å; L675-L723 HydrophobicContact CG-CD1 4.03Å; L690-L723 HydrophobicContact CD1-CD1 3.98Å; L690-L723 HydrophobicContact CD1-CD2 3.78Å; L690-L723 HydrophobicContact CD1-CG 3.99Å; L694-L723 HydrophobicContact CD2-CD2 3.4Å; L694-L723 HydrophobicContact CD2-CG 4.49Å; L694-L723 HydrophobicContact CG-CD2 4.24Å; D720-L723 PolarHBondContact O-N 2.76Å; S721-L723 VanDerWaalsContact C-N 3.29Å; S721-L723 PolarHBondContact O-N 3.1Å; L723-R725 PolarHBondContact O-N 3.11Å; L723-F729 HydrophobicContact CB-CD2 3.93Å; L723-F729 HydrophobicContact CB-CE2 3.9Å; L723-F729 HydrophobicContact CD1-CE2 4.1Å; L723-F729 HydrophobicContact CD2-CD2 4.22Å; L723-F729 HydrophobicContact CD2-CE2 3.55Å; L723-F729 HydrophobicContact CD2-CZ 4.43Å; L723-F729 HydrophobicContact CG-CE2 4.04Å
724S67.5Low75.3Confident99 Ų9958.5 Ų58.569%0.69233%0.331SS*.THydrogen-bonded Turntrans-79.9-2179.563.50000114.1S721S721-S724 PolarHBondContact O-N 3.03Å; S721-S724 PolarHBondContact O-OG 3.48Å
725R71.3Confident75.7Confident160 Ų16056.8 Ų56.860%0.60432%0.322SS*.SBendtrans-68138.7175-65.8-176.3-177.8-1790.7111L723L723-R725 PolarHBondContact O-N 3.11Å
726A63.6Low76.2Confident107 Ų10754.3 Ų54.388%0.88432%0.32SS*.THydrogen-bonded Turntrans-57.7138.5176.200000111.7
727G67.3Low76.9Confident52 Ų5253.8 Ų53.854%0.53632%0.321SS..THydrogen-bonded Turntrans100.2-5.3-179.700000115.4D730G727-D730 WeakPolarHBondContact CA-OD1 3.14Å
728R79.1Confident77.7Confident37 Ų3750.3 Ų50.314%0.1430%0.303CS..THydrogen-bonded Turntrans-106.7-84.5175.8-69.3168173-175.5-6110.3G605 M697 D698 A722 D730G605-R728 VanDerWaalsContact CA-O 3.25Å; G605-R728 WeakPolarHBondContact CA-O 3.17Å; G605-R728 PolarHBondContact N-O 3.43Å; M697-R728 HydrophobicContact CE-CB 3.76Å; M697-R728 WeakPolarHBondContact CE-O 3.19Å; M697-R728 HydrophobicContact SD-CB 4.43Å; D698-R728 IonicContact OD1-CZ 4Å; D698-R728 IonicContact OD1-NE 2.74Å; D698-R728 PolarHBondContact OD1-NE 2.86Å; D698-R728 IonicContact OD1-NH2 2.92Å; D698-R728 IonicContact OD2-CZ 3.02Å; D698-R728 IonicContact OD2-NE 3.34Å; D698-R728 IonicContact OD2-NH2 3.88Å; D698-R728 PolarHBondContact OD2-NH2 2.79Å; A722-R728 PolarHBondContact O-NH1 2.94Å; R728-D730 VanDerWaalsContact C-N 3.29Å; R728-D730 PolarHBondContact N-OD1 3.18Å; R728-D730 PolarHBondContact O-N 2.78Å; R728-D730 VanDerWaalsContact O-N 3.1Å
729F82.7Confident78.8Confident14 Ų1453.1 Ų53.16%0.06132%0.318CS..SBendtrans-84.180.8170.3-70.5-62.1000109.5G605 L607 I671 M697 L709 A711 L723 L731G605-F729 CarbonylContact O-C 3.6Å; G605-F729 WeakPolarHBondContact O-CA 3.4Å; L607-F729 HydrophobicContact CB-CB 4.02Å; L607-F729 HydrophobicContact CB-CD1 3.8Å; L607-F729 HydrophobicContact CB-CD2 4.38Å; L607-F729 HydrophobicContact CB-CE1 4.38Å; L607-F729 HydrophobicContact CB-CG 3.83Å; L607-F729 HydrophobicContact CD2-CB 4.47Å; L607-F729 HydrophobicContact CD2-CD2 4.16Å; L607-F729 HydrophobicContact CD2-CG 4.31Å; I671-F729 HydrophobicContact CD1-CZ 4.1Å; M697-F729 HydrophobicContact CE-CD1 4.26Å; M697-F729 HydrophobicContact CE-CE1 4.23Å; M697-F729 HydrophobicContact CE-CZ 4.49Å; L709-F729 HydrophobicContact CD2-CE1 3.96Å; L709-F729 HydrophobicContact CD2-CZ 3.95Å; L709-F729 HydrophobicContact CG-CE1 4.27Å; A711-F729 HydrophobicContact CB-CE1 3.71Å; A711-F729 HydrophobicContact CB-CZ 3.56Å; L723-F729 HydrophobicContact CB-CD2 3.93Å; L723-F729 HydrophobicContact CB-CE2 3.9Å; L723-F729 HydrophobicContact CD1-CE2 4.1Å; L723-F729 HydrophobicContact CD2-CD2 4.22Å; L723-F729 HydrophobicContact CD2-CE2 3.55Å; L723-F729 HydrophobicContact CD2-CZ 4.43Å; L723-F729 HydrophobicContact CG-CE2 4.04Å; F729-L731 PolarHBondContact O-N 2.76Å
730D78.8Confident79.8Confident79 Ų7952.9 Ų52.942%0.42232%0.32SS..  trans-64.2-31.9-178.5-43.8-37.4000111.7R604 G605 G727 R728R604-D730 PolarHBondContact N-OD2 3.24Å; G605-D730 PolarHBondContact O-N 2.65Å; G605-D730 VanDerWaalsContact O-N 3.09Å; G727-D730 WeakPolarHBondContact CA-OD1 3.14Å; R728-D730 VanDerWaalsContact C-N 3.29Å; R728-D730 PolarHBondContact N-OD1 3.18Å; R728-D730 PolarHBondContact O-N 2.78Å; R728-D730 VanDerWaalsContact O-N 3.1Å
731L86.5Confident80.9Confident32 Ų3256 Ų5617%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-121112.3-177.9-17760.1000110.5M576 I577 P603 G605 I606 L607 F729 I733M576-L731 HydrophobicContact CB-CD2 4.06Å; I577-L731 HydrophobicContact CD1-CD2 4.03Å; I577-L731 HydrophobicContact CG1-CD2 3.81Å; P603-L731 HydrophobicContact CB-CB 4.08Å; P603-L731 HydrophobicContact CG-CD2 4.21Å; G605-L731 PolarHBondContact O-N 2.89Å; I606-L731 CarbonylContact C-O 3.57Å; I606-L731 VanDerWaalsContact CA-O 3.26Å; I606-L731 WeakPolarHBondContact CA-O 3.37Å; I606-L731 HydrophobicContact CG1-CB 4.24Å; I606-L731 HydrophobicContact CG1-CD2 4.23Å; I606-L731 HydrophobicContact CG2-CD2 4.4Å; I606-L731 HydrophobicContact CG2-CG 4.45Å; L607-L731 PolarHBondContact N-O 2.8Å; F729-L731 PolarHBondContact O-N 2.76Å; L731-I733 HydrophobicContact CD1-CG1 4.17Å; L731-I733 HydrophobicContact CD2-CD1 3.9Å; L731-I733 HydrophobicContact CD2-CG1 4.3Å; L731-I733 HydrophobicContact CG-CD1 4.04Å; L731-I733 HydrophobicContact CG-CG1 3.87Å
732V89.1Confident82.1Confident77 Ų7752.5 Ų52.547%0.46731%0.312SS..EExtended strand (participates in β ladder)trans-106.8122.5174.2-174.80000108.4L607 H609L607-V732 HydrophobicContact CB-CG2 4.33Å; L607-V732 HydrophobicContact CD2-CG2 4.48Å; L607-V732 CarbonylContact O-C 3.39Å; L607-V732 WeakPolarHBondContact O-CA 3.34Å; H609-V732 VanDerWaalsContact CD2-CG1 3.47Å; H609-V732 WeakPolarHBondContact CD2-CG1 3.4Å
733I91.3Very high83.3Confident8 Ų852.6 Ų52.64%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-120.1120.4-177.8-52.6176.6000109.5L569 F573 I577 I606 L607 L608 H609 L731L569-I733 HydrophobicContact CD2-CG2 4.12Å; F573-I733 HydrophobicContact CD2-CD1 4.06Å; F573-I733 HydrophobicContact CE2-CD1 3.72Å; F573-I733 HydrophobicContact CE2-CG2 4.02Å; F573-I733 HydrophobicContact CZ-CD1 4.03Å; I577-I733 HydrophobicContact CD1-CD1 4.28Å; I606-I733 HydrophobicContact CG2-CD1 4.18Å; L607-I733 PolarHBondContact O-N 2.84Å; L608-I733 WeakPolarHBondContact CA-O 3.25Å; L608-I733 HydrophobicContact CD2-CB 3.77Å; L608-I733 HydrophobicContact CD2-CD1 4.05Å; L608-I733 HydrophobicContact CD2-CG1 4.25Å; L608-I733 HydrophobicContact CD2-CG2 4.46Å; H609-I733 PolarHBondContact N-O 2.83Å; L731-I733 HydrophobicContact CD1-CG1 4.17Å; L731-I733 HydrophobicContact CD2-CD1 3.9Å; L731-I733 HydrophobicContact CD2-CG1 4.3Å; L731-I733 HydrophobicContact CG-CD1 4.04Å; L731-I733 HydrophobicContact CG-CG1 3.87Å
734E90.2Very high84.4Confident85 Ų8552.7 Ų52.740%0.39731%0.31SS..EExtended strand (participates in β ladder)trans-80.6117.6168.7-170.6167.6-172.700110L569 H609 S736L569-E734 WeakPolarHBondContact CD2-O 3.24Å; H609-E734 WeakPolarHBondContact CE1-CB 3.32Å; H609-E734 IonicContact CE1-OE2 2.72Å; H609-E734 CarbonylContact O-C 3.49Å; H609-E734 WeakPolarHBondContact O-CA 3.15Å; E734-S736 PolarHBondContact O-N 2.74Å
735V91.2Very high85.5Confident0 Ų050.9 Ų50.90%029%0.293CS..  trans-89.989.1169.9-173.90000108.2L569 H609 P611 C614 K616 F619L569-V735 HydrophobicContact CD1-CB 4.46Å; L569-V735 HydrophobicContact CD1-CG1 4.12Å; H609-V735 PolarHBondContact O-N 3.08Å; P611-V735 WeakPolarHBondContact CD-O 3.44Å; C614-V735 HydrophobicContact CB-CG1 4.04Å; C614-V735 WeakPolarHBondContact O-CG1 3.31Å; K616-V735 HydrophobicContact CG-CB 4.04Å; K616-V735 HydrophobicContact CG-CG1 4.29Å; K616-V735 HydrophobicContact CG-CG2 4.04Å; F619-V735 HydrophobicContact CE2-CG1 4.37Å
736S88.5Confident86.5Confident52 Ų5244 Ų4436%0.36427%0.268SS..PPolyproline II helixtrans-60.5158.7178.6-58.40000112.5Y566 E734Y566-S736 VanDerWaalsContact CE1-O 3.26Å; Y566-S736 WeakPolarHBondContact CE1-O 3.2Å; Y566-S736 PolarHBondContact OH-O 2.83Å; E734-S736 PolarHBondContact O-N 2.74Å
737P88.5Confident87.9Confident42 Ų4239 Ų3927%0.27323%0.226SC..PPolyproline II helixtrans-55.7152.8166.7-22.232.5000112.8P611 D739 L819 F823P611-P737 HydrophobicContact CG-CG 3.79Å; P737-D739 PolarHBondContact O-N 2.83Å; P737-L819 HydrophobicContact CB-CD1 3.68Å; P737-L819 HydrophobicContact CB-CD2 4.05Å; P737-L819 HydrophobicContact CG-CD1 4.01Å; P737-L819 HydrophobicContact CG-CD2 3.72Å; P737-F823 HydrophobicContact CG-CZ 4.42Å
738P90Very high89.1Confident4 Ų440 Ų403%0.02621%0.214CC..PPolyproline II helixtrans-69.6134.2-179.129-32.9000111Y566 A742 R743 I746 Y778Y566-P738 HydrophobicContact CE1-CB 4.41Å; Y566-P738 HydrophobicContact CE2-CB 4.33Å; Y566-P738 WeakPolarHBondContact OH-CB 3.47Å; Y566-P738 VanDerWaalsContact OH-CD 3.28Å; Y566-P738 WeakPolarHBondContact OH-CD 3.28Å; P738-A742 HydrophobicContact CB-CB 3.84Å; P738-R743 HydrophobicContact CB-CG 3.89Å; P738-R743 HydrophobicContact CG-CG 3.84Å; P738-R743 PolarHBondContact O-NH1 3.5Å; P738-I746 HydrophobicContact CB-CD1 4.13Å; P738-Y778 WeakPolarHBondContact CG-O 2.95Å
739D90.2Very high89.6Confident93 Ų9339.7 Ų39.750%0.49722%0.215SC..  trans-73.5178.3170.161.74.7000111.6P737 D741 A742 R743P737-D739 PolarHBondContact O-N 2.83Å; D739-D741 VanDerWaalsContact C-N 3.27Å; D739-D741 PolarHBondContact O-N 3.05Å; D739-A742 PolarHBondContact O-N 3.4Å; D739-A742 WeakPolarHBondContact OD1-CA 3.48Å; D739-A742 WeakPolarHBondContact OD1-CB 3.39Å; D739-A742 PolarHBondContact OD1-N 3.47Å; D739-R743 WeakPolarHBondContact O-CB 3.36Å; D739-R743 VanDerWaalsContact O-CG 3.31Å; D739-R743 WeakPolarHBondContact O-CG 3.28Å; D739-R743 PolarHBondContact O-N 3.23Å
740A89.3Confident90Very high26 Ų2640.2 Ų40.222%0.21522%0.217CC..Hα-helixtrans-61-38.3-177.300000112.4T744 T772A740-T744 PolarHBondContact O-N 3.07Å; A740-T744 PolarHBondContact O-OG1 3.48Å; A740-T772 HydrophobicContact CB-CG2 4.34Å
741D90.8Very high90.6Very high116 Ų11636.4 Ų36.462%0.6220%0.197SC*.Hα-helixtrans-69.5-45.2178.4-68.2-18.3000110.8D739 R743 T744 D745D739-D741 VanDerWaalsContact C-N 3.27Å; D739-D741 PolarHBondContact O-N 3.05Å; D741-R743 PolarHBondContact O-N 2.95Å; D741-T744 VanDerWaalsContact O-CB 3.31Å; D741-T744 WeakPolarHBondContact O-CB 3.15Å; D741-T744 PolarHBondContact O-N 3.02Å; D741-T744 VanDerWaalsContact O-N 3.13Å; D741-D745 PolarHBondContact O-N 3.36Å
742A91.1Very high90.8Very high1 Ų138.5 Ų38.51%0.00821%0.214CC..Hα-helixtrans-62.8-40.9175.500000112.3P738 D739 T744 D745 I746P738-A742 HydrophobicContact CB-CB 3.84Å; D739-A742 PolarHBondContact O-N 3.4Å; D739-A742 WeakPolarHBondContact OD1-CA 3.48Å; D739-A742 WeakPolarHBondContact OD1-CB 3.39Å; D739-A742 PolarHBondContact OD1-N 3.47Å; A742-T744 VanDerWaalsContact C-N 3.28Å; A742-T744 PolarHBondContact O-N 2.74Å; A742-D745 PolarHBondContact O-N 3.42Å; A742-I746 WeakPolarHBondContact O-CB 3.26Å; A742-I746 WeakPolarHBondContact O-CD1 3.44Å; A742-I746 WeakPolarHBondContact O-CG1 3.28Å; A742-I746 PolarHBondContact O-N 3.16Å
743R92.7Very high90.8Very high18 Ų1841.1 Ų41.17%0.06822%0.219CC..Hα-helixtrans-61.5-38.7173.8-70.8-171.8-56.1-97.912.5111.9P738 D739 D741 I746 L747 A771 L775 N776 V783P738-R743 HydrophobicContact CB-CG 3.89Å; P738-R743 HydrophobicContact CG-CG 3.84Å; P738-R743 PolarHBondContact O-NH1 3.5Å; D739-R743 WeakPolarHBondContact O-CB 3.36Å; D739-R743 VanDerWaalsContact O-CG 3.31Å; D739-R743 WeakPolarHBondContact O-CG 3.28Å; D739-R743 PolarHBondContact O-N 3.23Å; D741-R743 PolarHBondContact O-N 2.95Å; R743-I746 PolarHBondContact O-N 3.45Å; R743-L747 WeakPolarHBondContact O-CB 3.5Å; R743-L747 WeakPolarHBondContact O-CG 3.48Å; R743-L747 PolarHBondContact O-N 3.17Å; R743-A771 HydrophobicContact CB-CB 4.24Å; R743-A771 PolarHBondContact NE-O 3.39Å; R743-A771 VanDerWaalsContact NE-O 3.12Å; R743-A771 PolarHBondContact NH2-O 2.81Å; R743-L775 WeakPolarHBondContact CD-O 3.36Å; R743-L775 PolarHBondContact NE-O 3.27Å; R743-N776 PolarHBondContact NH2-OD1 3.1Å; R743-N776 VanDerWaalsContact NH2-OD1 3.1Å; R743-V783 HydrophobicContact CG-CG2 4.17Å
744T92.5Very high90.6Very high4 Ų443.5 Ų43.53%0.02523%0.228CC..Hα-helixtrans-62.5-46.1175.2-58.50000111.1A740 D741 A742 L747 R748 N768 A771A740-T744 PolarHBondContact O-N 3.07Å; A740-T744 PolarHBondContact O-OG1 3.48Å; D741-T744 VanDerWaalsContact O-CB 3.31Å; D741-T744 WeakPolarHBondContact O-CB 3.15Å; D741-T744 PolarHBondContact O-N 3.02Å; D741-T744 VanDerWaalsContact O-N 3.13Å; A742-T744 VanDerWaalsContact C-N 3.28Å; A742-T744 PolarHBondContact O-N 2.74Å; T744-L747 WeakPolarHBondContact O-CB 3.47Å; T744-L747 PolarHBondContact O-N 3.46Å; T744-R748 WeakPolarHBondContact O-CB 3.38Å; T744-R748 PolarHBondContact O-N 2.66Å; T744-N768 HydrophobicContact CG2-CB 4.44Å; T744-N768 WeakPolarHBondContact CG2-OD1 3.47Å; T744-A771 WeakPolarHBondContact OG1-CB 3.45Å
745D91.8Very high90.5Very high62 Ų6242.2 Ų42.233%0.33223%0.232SC..Hα-helixtrans-66.3-40.7178.7-75.1-14.9000112.2G565 D741 A742 R748 L749G565-D745 PolarHBondContact N-OD2 3.42Å; D741-D745 PolarHBondContact O-N 3.36Å; A742-D745 PolarHBondContact O-N 3.42Å; D745-R748 PolarHBondContact O-N 3.5Å; D745-R748 IonicContact OD1-NH1 3.33Å; D745-R748 PolarHBondContact OD1-NH1 3.22Å; D745-L749 VanDerWaalsContact O-CB 3.26Å; D745-L749 WeakPolarHBondContact O-CB 3.39Å; D745-L749 PolarHBondContact O-N 2.88Å
746I92.2Very high90.2Very high16 Ų1643 Ų438%0.08224%0.236CC..Hα-helixtrans-60.4-47.5174.5-67.1162.8000110Y566 P738 A742 R743 R748 L749 E750 V783 V784Y566-I746 HydrophobicContact CE2-CD1 4.47Å; P738-I746 HydrophobicContact CB-CD1 4.13Å; A742-I746 WeakPolarHBondContact O-CB 3.26Å; A742-I746 WeakPolarHBondContact O-CD1 3.44Å; A742-I746 WeakPolarHBondContact O-CG1 3.28Å; A742-I746 PolarHBondContact O-N 3.16Å; R743-I746 PolarHBondContact O-N 3.45Å; I746-R748 VanDerWaalsContact C-N 3.34Å; I746-R748 PolarHBondContact O-N 3.07Å; I746-L749 PolarHBondContact O-N 3.5Å; I746-E750 WeakPolarHBondContact O-CB 3.37Å; I746-E750 WeakPolarHBondContact O-CG 3.46Å; I746-E750 PolarHBondContact O-N 2.99Å; I746-V783 HydrophobicContact CB-CG1 4.35Å; I746-V783 HydrophobicContact CG2-CB 4.11Å; I746-V783 HydrophobicContact CG2-CG1 3.78Å; I746-V784 HydrophobicContact CG2-CG2 4.27Å
747L92.4Very high89.9Confident0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-57.6-47.4174.8-81.2174.5000111.6R743 T744 L749 E750 L751 L767 F770 A771 L775 V783 V787R743-L747 WeakPolarHBondContact O-CB 3.5Å; R743-L747 WeakPolarHBondContact O-CG 3.48Å; R743-L747 PolarHBondContact O-N 3.17Å; T744-L747 WeakPolarHBondContact O-CB 3.47Å; T744-L747 PolarHBondContact O-N 3.46Å; L747-L749 VanDerWaalsContact C-N 3.34Å; L747-L749 PolarHBondContact O-N 3.38Å; L747-E750 PolarHBondContact O-N 3.29Å; L747-L751 VanDerWaalsContact O-CB 3.24Å; L747-L751 WeakPolarHBondContact O-CB 3.29Å; L747-L751 WeakPolarHBondContact O-CG 3.32Å; L747-L751 PolarHBondContact O-N 2.98Å; L747-L767 HydrophobicContact CB-CD1 4.33Å; L747-L767 HydrophobicContact CD1-CD1 4.02Å; L747-L767 HydrophobicContact CD1-CG 4.41Å; L747-F770 HydrophobicContact CD1-CD1 3.83Å; L747-F770 HydrophobicContact CD1-CE1 4.22Å; L747-F770 HydrophobicContact CD2-CE1 4.49Å; L747-A771 HydrophobicContact CD1-CB 3.98Å; L747-L775 HydrophobicContact CD1-CD1 3.63Å; L747-L775 HydrophobicContact CD2-CD1 4.08Å; L747-L775 HydrophobicContact CG-CD1 4.05Å; L747-V783 HydrophobicContact CD2-CG1 3.56Å; L747-V783 HydrophobicContact CG-CG1 3.6Å; L747-V787 HydrophobicContact CD2-CG2 3.53Å
748R91.9Very high89.6Confident74 Ų7449.1 Ų49.128%0.27926%0.255SS..Hα-helixtrans-62.9-43.2-176.9-163.8-176.7-76.1138.9-3.7110.9T744 D745 I746 L751 S752 L762 L767T744-R748 WeakPolarHBondContact O-CB 3.38Å; T744-R748 PolarHBondContact O-N 2.66Å; D745-R748 PolarHBondContact O-N 3.5Å; D745-R748 IonicContact OD1-NH1 3.33Å; D745-R748 PolarHBondContact OD1-NH1 3.22Å; I746-R748 VanDerWaalsContact C-N 3.34Å; I746-R748 PolarHBondContact O-N 3.07Å; R748-L751 PolarHBondContact O-N 3.25Å; R748-S752 WeakPolarHBondContact O-CB 3.37Å; R748-S752 PolarHBondContact O-N 3.48Å; R748-S752 PolarHBondContact O-OG 3.24Å; R748-L762 HydrophobicContact CG-CB 4.19Å; R748-L762 HydrophobicContact CG-CD2 3.99Å; R748-L762 PolarHBondContact NE-O 3Å; R748-L762 WeakPolarHBondContact O-CD2 3.28Å; R748-L767 HydrophobicContact CB-CD2 4.33Å
749L91Very high89.2Confident31 Ų3157.2 Ų57.216%0.16229%0.29CS..Hα-helixtrans-66.4-39.5178.1-171.6147.5000112.5T561 D562 D745 I746 L747 S752 K753T561-L749 WeakPolarHBondContact O-CD1 3.26Å; D562-L749 VanDerWaalsContact C-CD1 3.5Å; D562-L749 VanDerWaalsContact O-CD1 3.29Å; D562-L749 WeakPolarHBondContact O-CD1 3.47Å; D745-L749 VanDerWaalsContact O-CB 3.26Å; D745-L749 WeakPolarHBondContact O-CB 3.39Å; D745-L749 PolarHBondContact O-N 2.88Å; I746-L749 PolarHBondContact O-N 3.5Å; L747-L749 VanDerWaalsContact C-N 3.34Å; L747-L749 PolarHBondContact O-N 3.38Å; L749-S752 PolarHBondContact O-OG 2.96Å; L749-K753 VanDerWaalsContact CD2-CE 3.45Å; L749-K753 WeakPolarHBondContact O-CG 3.3Å
750E91Very high88.9Confident24 Ų2455.7 Ų55.711%0.11229%0.286CS..Hα-helixtrans-74.9-34.3177.8-76.1-57.6122.200112.9I746 L747 K753 R754 V784 V787I746-E750 WeakPolarHBondContact O-CB 3.37Å; I746-E750 WeakPolarHBondContact O-CG 3.46Å; I746-E750 PolarHBondContact O-N 2.99Å; L747-E750 PolarHBondContact O-N 3.29Å; E750-K753 IonicContact OE1-NZ 2.82Å; E750-K753 PolarHBondContact OE1-NZ 2.95Å; E750-R754 PolarHBondContact O-NH1 3.49Å; E750-R754 IonicContact OE2-CZ 3.65Å; E750-R754 IonicContact OE2-NH1 2.8Å; E750-R754 PolarHBondContact OE2-NH1 2.99Å; E750-R754 IonicContact OE2-NH2 3.58Å; E750-V784 HydrophobicContact CG-CG1 4.46Å; E750-V784 HydrophobicContact CG-CG2 3.86Å; E750-V787 HydrophobicContact CB-CB 4.47Å; E750-V787 HydrophobicContact CB-CG1 4.29Å; E750-V787 HydrophobicContact CB-CG2 4.29Å
751L91.4Very high88.5Confident0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-73.1-32.1175.2-71.8170.8000112L747 R748 K753 R754 L756 L761 L762 L767 V787 I802 L807L747-L751 VanDerWaalsContact O-CB 3.24Å; L747-L751 WeakPolarHBondContact O-CB 3.29Å; L747-L751 WeakPolarHBondContact O-CG 3.32Å; L747-L751 PolarHBondContact O-N 2.98Å; R748-L751 PolarHBondContact O-N 3.25Å; L751-K753 PolarHBondContact O-N 3.21Å; L751-R754 PolarHBondContact O-N 2.95Å; L751-R754 VanDerWaalsContact O-N 3.11Å; L751-L756 HydrophobicContact CB-CD1 4.13Å; L751-L756 HydrophobicContact CB-CD2 4.05Å; L751-L756 HydrophobicContact CD2-CD2 3.69Å; L751-L756 HydrophobicContact CG-CD2 4.41Å; L751-L761 HydrophobicContact CD1-CD2 4.37Å; L751-L762 HydrophobicContact CB-CD2 3.71Å; L751-L767 HydrophobicContact CD1-CD1 3.81Å; L751-L767 HydrophobicContact CD1-CD2 4.4Å; L751-V787 HydrophobicContact CD2-CG1 3.8Å; L751-V787 HydrophobicContact CD2-CG2 4.49Å; L751-V787 HydrophobicContact CG-CG1 4.32Å; L751-V787 HydrophobicContact CG-CG2 4.48Å; L751-I802 HydrophobicContact CD2-CD1 4.49Å; L751-I802 HydrophobicContact CD2-CG2 4.41Å; L751-L807 HydrophobicContact CD1-CD1 4.2Å; L751-L807 HydrophobicContact CD2-CD1 4.38Å; L751-L807 HydrophobicContact CD2-CD2 4.35Å
752S89.2Confident88Confident75 Ų7550.7 Ų50.752%0.52426%0.256SS..Hα-helixtrans-67.4-23.317865.10000113.4R748 L749 R754R748-S752 WeakPolarHBondContact O-CB 3.37Å; R748-S752 PolarHBondContact O-N 3.48Å; R748-S752 PolarHBondContact O-OG 3.24Å; L749-S752 PolarHBondContact O-OG 2.96Å; S752-R754 VanDerWaalsContact C-N 3.26Å; S752-R754 PolarHBondContact O-N 3.05Å
753K88.9Confident87.6Confident133 Ų13357.2 Ų57.258%0.57829%0.29SS*.THydrogen-bonded Turntrans-79.5-4.6174.6-63.9170.8-172.5169.70113.3L749 E750 L751L749-K753 VanDerWaalsContact CD2-CE 3.45Å; L749-K753 WeakPolarHBondContact O-CG 3.3Å; E750-K753 IonicContact OE1-NZ 2.82Å; E750-K753 PolarHBondContact OE1-NZ 2.95Å; L751-K753 PolarHBondContact O-N 3.21Å
754R88.6Confident87.1Confident58 Ų5857.7 Ų57.722%0.21930%0.296CS..SBendtrans-125.7159-171.3-64.9179.9175.687.9-7.1111.4E750 L751 S752 L756 I802E750-R754 PolarHBondContact O-NH1 3.49Å; E750-R754 IonicContact OE2-CZ 3.65Å; E750-R754 IonicContact OE2-NH1 2.8Å; E750-R754 PolarHBondContact OE2-NH1 2.99Å; E750-R754 IonicContact OE2-NH2 3.58Å; L751-R754 PolarHBondContact O-N 2.95Å; L751-R754 VanDerWaalsContact O-N 3.11Å; S752-R754 VanDerWaalsContact C-N 3.26Å; S752-R754 PolarHBondContact O-N 3.05Å; R754-L756 PolarHBondContact O-N 2.8Å; R754-I802 HydrophobicContact CB-CD1 4.04Å; R754-I802 HydrophobicContact CG-CD1 4.49Å
755A86.5Confident86.9Confident58 Ų5865.3 Ų65.348%0.47933%0.329SS..  trans-72.7119.7174.900000110.4N800 Q801 I802A755-N800 WeakPolarHBondContact CB-O 3.4Å; A755-Q801 HydrophobicContact CB-CG 4.28Å; A755-Q801 WeakPolarHBondContact O-CA 3.2Å; A755-I802 PolarHBondContact O-N 3.21Å
756L86.4Confident86.8Confident17 Ų1765.7 Ų65.79%0.08933%0.326CS..BIsolated β-bridgetrans-107.5143.3179.6-57.8177.6000110.4L751 R754 D758 L762 I802L751-L756 HydrophobicContact CB-CD1 4.13Å; L751-L756 HydrophobicContact CB-CD2 4.05Å; L751-L756 HydrophobicContact CD2-CD2 3.69Å; L751-L756 HydrophobicContact CG-CD2 4.41Å; R754-L756 PolarHBondContact O-N 2.8Å; L756-D758 VanDerWaalsContact C-N 3.27Å; L756-D758 PolarHBondContact O-N 2.8Å; L756-L762 HydrophobicContact CD1-CD1 4.1Å; L756-L762 HydrophobicContact CD1-CD2 3.72Å; L756-L762 HydrophobicContact CD1-CG 3.69Å; L756-I802 HydrophobicContact CD2-CB 4.06Å
757K82.5Confident86.7Confident147 Ų14764.9 Ų64.964%0.63932%0.322SS*.SBendtrans-67.8-35.2176.1-173.6174-178.61750111.9Q801 I802K757-Q801 VanDerWaalsContact CA-OE1 3.27Å; K757-Q801 HydrophobicContact CB-CB 3.94Å; K757-I802 PolarHBondContact N-O 2.96Å
758D81.5Confident86.6Confident74 Ų7468 Ų6840%0.39634%0.338SS..  trans-132.9107.7179-178.30.8000108.1L756 S760 L761L756-D758 VanDerWaalsContact C-N 3.27Å; L756-D758 PolarHBondContact O-N 2.8Å; D758-S760 PolarHBondContact O-N 2.77Å; D758-S760 WeakPolarHBondContact OD1-CB 3.42Å; D758-S760 PolarHBondContact OD1-N 2.91Å; D758-S760 PolarHBondContact OD1-OG 3.04Å; D758-S760 PolarHBondContact OD2-OG 3.07Å; D758-L761 WeakPolarHBondContact O-CB 3.37Å; D758-L761 PolarHBondContact O-N 3.41Å; D758-L761 VanDerWaalsContact O-N 3.08Å
759K81.7Confident86.5Confident175 Ų17568.5 Ų68.576%0.76135%0.346SS*.G310 helixtrans-63-22.7177.5-70.9-173.8179-178.50112L761 L762K759-L761 PolarHBondContact O-N 3.05Å; K759-L762 PolarHBondContact O-N 3.03Å
760S83.1Confident86.5Confident60 Ų6067.3 Ų67.342%0.4234%0.34SS..G310 helixtrans-64.4-19.8175.881.30000112.3D758 L762 N763 C764D758-S760 PolarHBondContact O-N 2.77Å; D758-S760 WeakPolarHBondContact OD1-CB 3.42Å; D758-S760 PolarHBondContact OD1-N 2.91Å; D758-S760 PolarHBondContact OD1-OG 3.04Å; D758-S760 PolarHBondContact OD2-OG 3.07Å; S760-L762 PolarHBondContact O-N 3.22Å; S760-L762 VanDerWaalsContact O-N 3.11Å; S760-N763 PolarHBondContact O-N 2.98Å; S760-C764 VanDerWaalsContact C-SG 3.6Å; S760-C764 PolarHBondContact O-N 3.28Å; S760-C764 VanDerWaalsContact O-N 3.13Å; S760-C764 PolarHBondContact O-SG 3.09Å
761L80.3Confident86.5Confident3 Ų366.1 Ų66.12%0.01633%0.334CS..G310 helixtrans-52.2-34.9175.9-176.765.2000112.6L751 D758 K759 N763 C764 W766 K804 L807L751-L761 HydrophobicContact CD1-CD2 4.37Å; D758-L761 WeakPolarHBondContact O-CB 3.37Å; D758-L761 PolarHBondContact O-N 3.41Å; D758-L761 VanDerWaalsContact O-N 3.08Å; K759-L761 PolarHBondContact O-N 3.05Å; L761-N763 VanDerWaalsContact C-N 3.29Å; L761-N763 PolarHBondContact O-N 2.78Å; L761-C764 PolarHBondContact O-N 2.97Å; L761-W766 HydrophobicContact CD1-CE3 3.74Å; L761-W766 HydrophobicContact CD1-CZ3 4.01Å; L761-K804 HydrophobicContact CD1-CD 4.13Å; L761-K804 VanDerWaalsContact CD1-CE 3.48Å; L761-K804 HydrophobicContact CD1-CG 3.59Å; L761-L807 HydrophobicContact CD2-CD1 4.12Å
762L81.6Confident86.4Confident35 Ų3568.8 Ų68.818%0.18335%0.35CS..G310 helixtrans-61-37.1-179.2-66.3173.8000112.4R748 L751 L756 K759 S760R748-L762 HydrophobicContact CG-CB 4.19Å; R748-L762 HydrophobicContact CG-CD2 3.99Å; R748-L762 PolarHBondContact NE-O 3Å; R748-L762 WeakPolarHBondContact O-CD2 3.28Å; L751-L762 HydrophobicContact CB-CD2 3.71Å; L756-L762 HydrophobicContact CD1-CD1 4.1Å; L756-L762 HydrophobicContact CD1-CD2 3.72Å; L756-L762 HydrophobicContact CD1-CG 3.69Å; K759-L762 PolarHBondContact O-N 3.03Å; S760-L762 PolarHBondContact O-N 3.22Å; S760-L762 VanDerWaalsContact O-N 3.11Å
763N81.7Confident86.4Confident137 Ų13770.3 Ų70.373%0.73335%0.353SS*.G310 helixtrans-108.913-177.3-66.7-19.1000112.7S760 L761S760-N763 PolarHBondContact O-N 2.98Å; L761-N763 VanDerWaalsContact C-N 3.29Å; L761-N763 PolarHBondContact O-N 2.78Å
764C82.1Confident86.3Confident28 Ų2867.2 Ų67.219%0.18934%0.34CS..  trans-79.1137.5-178.8-87.70000112S760 L761 W766 L767S760-C764 VanDerWaalsContact C-SG 3.6Å; S760-C764 PolarHBondContact O-N 3.28Å; S760-C764 VanDerWaalsContact O-N 3.13Å; S760-C764 PolarHBondContact O-SG 3.09Å; L761-C764 PolarHBondContact O-N 2.97Å; C764-W766 HydrophobicContact CB-CB 4.38Å; C764-W766 PolarHBondContact O-N 3.36Å; C764-L767 WeakPolarHBondContact O-CB 3.12Å; C764-L767 PolarHBondContact O-N 3.29Å
765K88.9Confident86.3Confident164 Ų16464.4 Ų64.471%0.71333%0.33SS*.Hα-helixtrans-52.7-30.1168.9-171.2175.3-178.6178.10112.8L767 N768 L769K765-L767 VanDerWaalsContact C-N 3.33Å; K765-L767 PolarHBondContact O-N 3.32Å; K765-N768 PolarHBondContact O-N 3.1Å; K765-L769 HydrophobicContact CG-CD1 4.39Å; K765-L769 WeakPolarHBondContact O-CG 3.22Å; K765-L769 PolarHBondContact O-N 3.38Å
766W90.8Very high86.3Confident70 Ų7065.2 Ų65.227%0.26533%0.326SS..Hα-helixtrans-59.3-39.8175.4-176.488.6000113L761 C764 N768 L769 F770 K804 L807 L808L761-W766 HydrophobicContact CD1-CE3 3.74Å; L761-W766 HydrophobicContact CD1-CZ3 4.01Å; C764-W766 HydrophobicContact CB-CB 4.38Å; C764-W766 PolarHBondContact O-N 3.36Å; W766-N768 PolarHBondContact O-N 3.14Å; W766-L769 PolarHBondContact O-N 3.37Å; W766-F770 HydrophobicContact CE3-CB 4.28Å; W766-F770 HydrophobicContact CH2-CB 4.08Å; W766-F770 AromaticContact CH2-CD2 3.71Å; W766-F770 HydrophobicContact CH2-CD2 3.71Å; W766-F770 HydrophobicContact CH2-CE2 4.25Å; W766-F770 AromaticContact CH2-CG 3.87Å; W766-F770 HydrophobicContact CH2-CG 3.87Å; W766-F770 HydrophobicContact CZ2-CB 4.35Å; W766-F770 AromaticContact CZ2-CD2 3.98Å; W766-F770 HydrophobicContact CZ2-CD2 3.98Å; W766-F770 HydrophobicContact CZ2-CG 4.38Å; W766-F770 HydrophobicContact CZ3-CB 4.04Å; W766-F770 HydrophobicContact CZ3-CD2 4.42Å; W766-F770 HydrophobicContact CZ3-CG 4.12Å; W766-F770 WeakPolarHBondContact O-CB 3.26Å; W766-F770 PolarHBondContact O-N 2.9Å; W766-K804 HydrophobicContact CD2-CD 4.16Å; W766-K804 HydrophobicContact CD2-CG 4.35Å; W766-K804 HydrophobicContact CE3-CD 4.33Å; W766-K804 HydrophobicContact CE3-CG 4.11Å; W766-K804 HydrophobicContact CG-CD 4.48Å; W766-K804 HydrophobicContact CH2-CB 4.09Å; W766-K804 HydrophobicContact CH2-CG 4.3Å; W766-K804 HydrophobicContact CZ2-CB 4.17Å; W766-K804 HydrophobicContact CZ3-CB 4.38Å; W766-K804 HydrophobicContact CZ3-CG 4.09Å; W766-L807 HydrophobicContact CH2-CB 4.32Å; W766-L807 HydrophobicContact CH2-CD1 4.44Å; W766-L807 HydrophobicContact CZ3-CD1 4.14Å; W766-L808 HydrophobicContact CH2-CG 4.38Å; W766-L808 HydrophobicContact CZ2-CD1 4.02Å; W766-L808 HydrophobicContact CZ2-CD2 4.19Å; W766-L808 HydrophobicContact CZ2-CG 3.91Å
767L89.4Confident86.2Confident0 Ų069 Ų690%035%0.346CS..Hα-helixtrans-65.2-42.4-178.8-169.969.6000110.7L747 R748 L751 C764 K765 L769 F770 A771L747-L767 HydrophobicContact CB-CD1 4.33Å; L747-L767 HydrophobicContact CD1-CD1 4.02Å; L747-L767 HydrophobicContact CD1-CG 4.41Å; R748-L767 HydrophobicContact CB-CD2 4.33Å; L751-L767 HydrophobicContact CD1-CD1 3.81Å; L751-L767 HydrophobicContact CD1-CD2 4.4Å; C764-L767 WeakPolarHBondContact O-CB 3.12Å; C764-L767 PolarHBondContact O-N 3.29Å; K765-L767 VanDerWaalsContact C-N 3.33Å; K765-L767 PolarHBondContact O-N 3.32Å; L767-L769 VanDerWaalsContact C-N 3.34Å; L767-L769 PolarHBondContact O-N 2.76Å; L767-F770 PolarHBondContact O-N 3.43Å; L767-A771 PolarHBondContact O-N 3.42Å
768N89.8Confident86.6Confident65 Ų6562.1 Ų62.135%0.34832%0.316SS..Hα-helixtrans-61.7-43174.8-58.18.4000110.9T744 K765 W766 A771 T772T744-N768 HydrophobicContact CG2-CB 4.44Å; T744-N768 WeakPolarHBondContact CG2-OD1 3.47Å; K765-N768 PolarHBondContact O-N 3.1Å; W766-N768 PolarHBondContact O-N 3.14Å; N768-A771 PolarHBondContact O-N 3.16Å; N768-T772 WeakPolarHBondContact O-CB 3.47Å; N768-T772 PolarHBondContact O-N 3.27Å; N768-T772 PolarHBondContact O-OG1 2.94Å
769L90.7Very high87.1Confident85 Ų8558.6 Ų58.645%0.44530%0.298SS..Hα-helixtrans-65.4-38.4176.5-71.6172000112.3K765 W766 L767 T772 N773K765-L769 HydrophobicContact CG-CD1 4.39Å; K765-L769 WeakPolarHBondContact O-CG 3.22Å; K765-L769 PolarHBondContact O-N 3.38Å; W766-L769 PolarHBondContact O-N 3.37Å; L767-L769 VanDerWaalsContact C-N 3.34Å; L767-L769 PolarHBondContact O-N 2.76Å; L769-T772 PolarHBondContact O-N 2.87Å; L769-N773 VanDerWaalsContact O-CB 3.28Å; L769-N773 WeakPolarHBondContact O-CB 3.46Å; L769-N773 PolarHBondContact O-N 2.85Å
770F91.3Very high87.4Confident5 Ų550.7 Ų50.72%0.02227%0.265CS..Hα-helixtrans-63.1-46.3175.4178.3-101.8000111.1L747 W766 L767 T772 Q774 L775 V786 L807 L808 Q811L747-F770 HydrophobicContact CD1-CD1 3.83Å; L747-F770 HydrophobicContact CD1-CE1 4.22Å; L747-F770 HydrophobicContact CD2-CE1 4.49Å; W766-F770 HydrophobicContact CE3-CB 4.28Å; W766-F770 HydrophobicContact CH2-CB 4.08Å; W766-F770 AromaticContact CH2-CD2 3.71Å; W766-F770 HydrophobicContact CH2-CD2 3.71Å; W766-F770 HydrophobicContact CH2-CE2 4.25Å; W766-F770 AromaticContact CH2-CG 3.87Å; W766-F770 HydrophobicContact CH2-CG 3.87Å; W766-F770 HydrophobicContact CZ2-CB 4.35Å; W766-F770 AromaticContact CZ2-CD2 3.98Å; W766-F770 HydrophobicContact CZ2-CD2 3.98Å; W766-F770 HydrophobicContact CZ2-CG 4.38Å; W766-F770 HydrophobicContact CZ3-CB 4.04Å; W766-F770 HydrophobicContact CZ3-CD2 4.42Å; W766-F770 HydrophobicContact CZ3-CG 4.12Å; W766-F770 WeakPolarHBondContact O-CB 3.26Å; W766-F770 PolarHBondContact O-N 2.9Å; L767-F770 PolarHBondContact O-N 3.43Å; F770-T772 VanDerWaalsContact C-N 3.32Å; F770-T772 PolarHBondContact O-N 3.36Å; F770-Q774 HydrophobicContact CD2-CB 4.07Å; F770-Q774 HydrophobicContact CD2-CG 4.24Å; F770-Q774 HydrophobicContact CE2-CB 4.22Å; F770-Q774 WeakPolarHBondContact O-CA 3.05Å; F770-Q774 WeakPolarHBondContact O-CB 3.49Å; F770-Q774 PolarHBondContact O-N 3.33Å; F770-L775 HydrophobicContact CD1-CD1 4.02Å; F770-L775 HydrophobicContact CD1-CG 4.28Å; F770-L775 HydrophobicContact CE1-CD1 3.72Å; F770-L775 HydrophobicContact CE1-CD2 4.26Å; F770-L775 HydrophobicContact CE1-CG 3.97Å; F770-L775 HydrophobicContact CZ-CD2 4.38Å; F770-L775 HydrophobicContact CZ-CG 4.46Å; F770-L775 PolarHBondContact O-N 2.9Å; F770-V786 HydrophobicContact CZ-CG1 4.4Å; F770-L807 HydrophobicContact CE1-CB 4.42Å; F770-L807 HydrophobicContact CE2-CB 4.48Å; F770-L807 HydrophobicContact CZ-CB 4.05Å; F770-L808 HydrophobicContact CD2-CD2 4.26Å; F770-L808 HydrophobicContact CE2-CD2 4.16Å; F770-Q811 HydrophobicContact CE2-CB 4.17Å; F770-Q811 HydrophobicContact CZ-CB 3.97Å; F770-Q811 HydrophobicContact CZ-CG 4.41Å
771A89.6Confident87.7Confident0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-63-35.817600000113.6R743 T744 L747 L767 N768R743-A771 HydrophobicContact CB-CB 4.24Å; R743-A771 PolarHBondContact NE-O 3.39Å; R743-A771 VanDerWaalsContact NE-O 3.12Å; R743-A771 PolarHBondContact NH2-O 2.81Å; T744-A771 WeakPolarHBondContact OG1-CB 3.45Å; L747-A771 HydrophobicContact CD1-CB 3.98Å; L767-A771 PolarHBondContact O-N 3.42Å; N768-A771 PolarHBondContact O-N 3.16Å
772T89.5Confident88.3Confident55 Ų5550.7 Ų50.734%0.33727%0.267SS..Hα-helixtrans-81.5-38.9-177.7-52.80000112.7A740 N768 L769 F770 N776A740-T772 HydrophobicContact CB-CG2 4.34Å; N768-T772 WeakPolarHBondContact O-CB 3.47Å; N768-T772 PolarHBondContact O-N 3.27Å; N768-T772 PolarHBondContact O-OG1 2.94Å; L769-T772 PolarHBondContact O-N 2.87Å; F770-T772 VanDerWaalsContact C-N 3.32Å; F770-T772 PolarHBondContact O-N 3.36Å; T772-N776 PolarHBondContact O-ND2 2.82Å; T772-N776 PolarHBondContact O-OD1 3.33Å
773N89Confident88.8Confident108 Ų10849 Ų4958%0.57826%0.258SS*.Hα-helixtrans-98.4-40.1-172.7-65.4-14.6000112.6L769 N776L769-N773 VanDerWaalsContact O-CB 3.28Å; L769-N773 WeakPolarHBondContact O-CB 3.46Å; L769-N773 PolarHBondContact O-N 2.85Å; N773-N776 PolarHBondContact O-ND2 2.89Å
774Q87.1Confident89.3Confident67 Ų6744.8 Ų44.831%0.31324%0.238SC..THydrogen-bonded Turntrans-100.8-27.2-171.1-62.1-162.4-11.800114F770 L808 Q811F770-Q774 HydrophobicContact CD2-CB 4.07Å; F770-Q774 HydrophobicContact CD2-CG 4.24Å; F770-Q774 HydrophobicContact CE2-CB 4.22Å; F770-Q774 WeakPolarHBondContact O-CA 3.05Å; F770-Q774 WeakPolarHBondContact O-CB 3.49Å; F770-Q774 PolarHBondContact O-N 3.33Å; Q774-L808 VanDerWaalsContact NE2-CD2 3.27Å; Q774-Q811 HydrophobicContact CB-CG 4.16Å; Q774-Q811 PolarHBondContact O-NE2 2.92Å
775L88.8Confident89.8Confident0 Ų048.2 Ų48.20%025%0.251CS..SBendtrans-99.130.2178.9-58.8-178.6000113.3R743 L747 F770 N777 Y778 V783 V786 Q811R743-L775 WeakPolarHBondContact CD-O 3.36Å; R743-L775 PolarHBondContact NE-O 3.27Å; L747-L775 HydrophobicContact CD1-CD1 3.63Å; L747-L775 HydrophobicContact CD2-CD1 4.08Å; L747-L775 HydrophobicContact CG-CD1 4.05Å; F770-L775 HydrophobicContact CD1-CD1 4.02Å; F770-L775 HydrophobicContact CD1-CG 4.28Å; F770-L775 HydrophobicContact CE1-CD1 3.72Å; F770-L775 HydrophobicContact CE1-CD2 4.26Å; F770-L775 HydrophobicContact CE1-CG 3.97Å; F770-L775 HydrophobicContact CZ-CD2 4.38Å; F770-L775 HydrophobicContact CZ-CG 4.46Å; F770-L775 PolarHBondContact O-N 2.9Å; L775-N777 PolarHBondContact O-N 3.24Å; L775-Y778 VanDerWaalsContact CA-CD2 3.42Å; L775-Y778 HydrophobicContact CB-CD2 4.05Å; L775-Y778 HydrophobicContact CB-CG 4.2Å; L775-Y778 HydrophobicContact CD2-CD1 3.97Å; L775-Y778 HydrophobicContact CD2-CD2 4.17Å; L775-Y778 HydrophobicContact CD2-CE1 3.93Å; L775-Y778 HydrophobicContact CD2-CE2 4.08Å; L775-Y778 HydrophobicContact CD2-CG 4.1Å; L775-Y778 WeakPolarHBondContact O-CD2 3.34Å; L775-Y778 PolarHBondContact O-N 3.38Å; L775-V783 HydrophobicContact CD1-CG1 4.28Å; L775-V783 HydrophobicContact CD1-CG2 4.23Å; L775-V786 HydrophobicContact CD2-CG1 4.48Å; L775-V786 HydrophobicContact CD2-CG2 4.26Å; L775-Q811 HydrophobicContact CD2-CG 3.92Å
776N86.2Confident90.1Very high75 Ų7540.4 Ų40.440%0.40122%0.217SC..THydrogen-bonded Turntrans-65.6133.3175.2-76.6-34.7000111.6R743 T772 N773 Y778R743-N776 PolarHBondContact NH2-OD1 3.1Å; R743-N776 VanDerWaalsContact NH2-OD1 3.1Å; T772-N776 PolarHBondContact O-ND2 2.82Å; T772-N776 PolarHBondContact O-OD1 3.33Å; N773-N776 PolarHBondContact O-ND2 2.89Å; N776-Y778 VanDerWaalsContact C-N 3.26Å; N776-Y778 WeakPolarHBondContact O-CD2 3.27Å; N776-Y778 PolarHBondContact O-N 3.38Å
777N85.5Confident90.2Very high96 Ų9637.1 Ų37.151%0.51320%0.204SC..THydrogen-bonded Turntrans63.522.5-176.6-53.4-40.1000115.4L775 P816 L819L775-N777 PolarHBondContact O-N 3.24Å; N777-P816 WeakPolarHBondContact O-CB 3.42Å; N777-L819 HydrophobicContact CB-CD1 4.37Å; N777-L819 VanDerWaalsContact O-CD1 3.24Å; N777-L819 WeakPolarHBondContact O-CD1 3.42Å
778Y90Very high90.4Very high2 Ų241.9 Ų41.91%0.00823%0.227CC..  trans-84140.1170.5-77.9-113.9000110.7P738 L775 N776 E782 V786 L814 P815 P816P738-Y778 WeakPolarHBondContact CG-O 2.95Å; L775-Y778 VanDerWaalsContact CA-CD2 3.42Å; L775-Y778 HydrophobicContact CB-CD2 4.05Å; L775-Y778 HydrophobicContact CB-CG 4.2Å; L775-Y778 HydrophobicContact CD2-CD1 3.97Å; L775-Y778 HydrophobicContact CD2-CD2 4.17Å; L775-Y778 HydrophobicContact CD2-CE1 3.93Å; L775-Y778 HydrophobicContact CD2-CE2 4.08Å; L775-Y778 HydrophobicContact CD2-CG 4.1Å; L775-Y778 WeakPolarHBondContact O-CD2 3.34Å; L775-Y778 PolarHBondContact O-N 3.38Å; N776-Y778 VanDerWaalsContact C-N 3.26Å; N776-Y778 WeakPolarHBondContact O-CD2 3.27Å; N776-Y778 PolarHBondContact O-N 3.38Å; Y778-E782 HydrophobicContact CD1-CB 3.75Å; Y778-V786 HydrophobicContact CD1-CG2 4.25Å; Y778-V786 HydrophobicContact CE1-CG2 3.78Å; Y778-L814 VanDerWaalsContact CE1-O 3.25Å; Y778-L814 WeakPolarHBondContact CE1-O 3.34Å; Y778-L814 PolarHBondContact OH-O 3.45Å; Y778-P815 WeakPolarHBondContact OH-CA 3.21Å; Y778-P816 HydrophobicContact CD1-CB 4.49Å; Y778-P816 HydrophobicContact CD2-CB 3.74Å; Y778-P816 HydrophobicContact CD2-CG 3.99Å; Y778-P816 HydrophobicContact CE1-CB 4.5Å; Y778-P816 HydrophobicContact CE2-CB 3.79Å; Y778-P816 VanDerWaalsContact CE2-CD 3.48Å; Y778-P816 HydrophobicContact CE2-CG 3.65Å; Y778-P816 HydrophobicContact CG-CB 4.13Å; Y778-P816 WeakPolarHBondContact OH-CD 3.4Å
779T91Very high90.7Very high1 Ų140.9 Ų40.91%0.00622%0.22CC..  trans-76.1164.1166.261.20000111.2A781 E782 V783 L819T779-A781 VanDerWaalsContact C-N 3.29Å; T779-A781 PolarHBondContact O-N 3.39Å; T779-E782 PolarHBondContact N-OE2 3.28Å; T779-E782 PolarHBondContact O-N 3.42Å; T779-E782 WeakPolarHBondContact OG1-CB 3.24Å; T779-E782 VanDerWaalsContact OG1-CG 3.24Å; T779-E782 WeakPolarHBondContact OG1-CG 3.24Å; T779-E782 PolarHBondContact OG1-N 3.21Å; T779-E782 PolarHBondContact OG1-OE2 2.89Å; T779-V783 WeakPolarHBondContact O-CG2 3.34Å; T779-V783 PolarHBondContact O-N 3.03Å; T779-L819 HydrophobicContact CG2-CD1 4.39Å; T779-L819 HydrophobicContact CG2-CD2 3.65Å; T779-L819 HydrophobicContact CG2-CG 3.61Å
780G88.5Confident90.8Very high8 Ų836.9 Ų36.98%0.08220%0.199CC..Hα-helixtrans-58.2-41.7175.900000112.7G613 V783 V784G613-G780 PolarHBondContact O-N 3.42Å; G780-V783 PolarHBondContact O-N 3.04Å; G780-V784 VanDerWaalsContact O-CG2 3.3Å; G780-V784 WeakPolarHBondContact O-CG2 3.49Å; G780-V784 PolarHBondContact O-N 3.47Å; G780-V784 VanDerWaalsContact O-N 3.09Å
781A90.1Very high90.9Very high50 Ų5037.9 Ų37.941%0.41321%0.208SC..Hα-helixtrans-63.1-41.1175.900000112.9G613 T779 V784 Q785G613-A781 PolarHBondContact O-N 3.35Å; T779-A781 VanDerWaalsContact C-N 3.29Å; T779-A781 PolarHBondContact O-N 3.39Å; A781-V784 WeakPolarHBondContact O-CB 3.37Å; A781-V784 PolarHBondContact O-N 3.42Å; A781-Q785 PolarHBondContact O-N 3.25Å
782E92.2Very high91.1Very high13 Ų1342.5 Ų42.56%0.06123%0.23CC..Hα-helixtrans-67.2-36.2176.6-71.2164.615600111.7Y778 T779 Q785 V786 R817 S818Y778-E782 HydrophobicContact CD1-CB 3.75Å; T779-E782 PolarHBondContact N-OE2 3.28Å; T779-E782 PolarHBondContact O-N 3.42Å; T779-E782 WeakPolarHBondContact OG1-CB 3.24Å; T779-E782 VanDerWaalsContact OG1-CG 3.24Å; T779-E782 WeakPolarHBondContact OG1-CG 3.24Å; T779-E782 PolarHBondContact OG1-N 3.21Å; T779-E782 PolarHBondContact OG1-OE2 2.89Å; E782-Q785 WeakPolarHBondContact O-CB 3.3Å; E782-Q785 PolarHBondContact O-N 3.38Å; E782-V786 WeakPolarHBondContact O-CG2 2.86Å; E782-V786 PolarHBondContact O-N 3.04Å; E782-R817 PolarHBondContact OE1-N 2.86Å; E782-S818 VanDerWaalsContact OE1-CB 3.24Å; E782-S818 WeakPolarHBondContact OE1-CB 3.34Å; E782-S818 PolarHBondContact OE1-N 2.95Å; E782-S818 PolarHBondContact OE1-OG 3.49Å
783V92.6Very high91.3Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-60.9-45.4172.9175.90000111R743 I746 L747 L775 T779 G780 Q785 V786 V787R743-V783 HydrophobicContact CG-CG2 4.17Å; I746-V783 HydrophobicContact CB-CG1 4.35Å; I746-V783 HydrophobicContact CG2-CB 4.11Å; I746-V783 HydrophobicContact CG2-CG1 3.78Å; L747-V783 HydrophobicContact CD2-CG1 3.56Å; L747-V783 HydrophobicContact CG-CG1 3.6Å; L775-V783 HydrophobicContact CD1-CG1 4.28Å; L775-V783 HydrophobicContact CD1-CG2 4.23Å; T779-V783 WeakPolarHBondContact O-CG2 3.34Å; T779-V783 PolarHBondContact O-N 3.03Å; G780-V783 PolarHBondContact O-N 3.04Å; V783-Q785 VanDerWaalsContact C-N 3.27Å; V783-Q785 PolarHBondContact O-N 3.03Å; V783-V786 PolarHBondContact O-N 3.17Å; V783-V787 PolarHBondContact O-N 3.27Å; V783-V787 VanDerWaalsContact O-N 3.16Å
784V92.3Very high91.5Very high49 Ų4935 Ų3530%0.29719%0.188SC..Hα-helixtrans-59.2-41.5174.3177.40000110.4I746 E750 G780 A781 V786 V787 Q788I746-V784 HydrophobicContact CG2-CG2 4.27Å; E750-V784 HydrophobicContact CG-CG1 4.46Å; E750-V784 HydrophobicContact CG-CG2 3.86Å; G780-V784 VanDerWaalsContact O-CG2 3.3Å; G780-V784 WeakPolarHBondContact O-CG2 3.49Å; G780-V784 PolarHBondContact O-N 3.47Å; G780-V784 VanDerWaalsContact O-N 3.09Å; A781-V784 WeakPolarHBondContact O-CB 3.37Å; A781-V784 PolarHBondContact O-N 3.42Å; V784-V786 PolarHBondContact O-N 3.48Å; V784-V787 PolarHBondContact O-N 3.49Å; V784-Q788 PolarHBondContact O-N 3.47Å
785Q93.1Very high91.8Very high100 Ų10040.4 Ų40.447%0.46721%0.206SC..Hα-helixtrans-63.7-39.8178.2-163.6-174.9-4.600112.3A781 E782 V783 V787 Q788 Q789 L814A781-Q785 PolarHBondContact O-N 3.25Å; E782-Q785 WeakPolarHBondContact O-CB 3.3Å; E782-Q785 PolarHBondContact O-N 3.38Å; V783-Q785 VanDerWaalsContact C-N 3.27Å; V783-Q785 PolarHBondContact O-N 3.03Å; Q785-V787 VanDerWaalsContact C-N 3.33Å; Q785-V787 PolarHBondContact O-N 2.87Å; Q785-Q788 PolarHBondContact O-N 3.24Å; Q785-Q789 WeakPolarHBondContact O-CB 3.35Å; Q785-Q789 PolarHBondContact O-N 3.48Å; Q785-L814 HydrophobicContact CB-CD1 4.45Å; Q785-L814 HydrophobicContact CG-CD1 3.81Å
786V94.4Very high92Very high0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-60.3-43.4173.7170.70000110.8F770 L775 Y778 E782 V783 V784 Q789 A790 A810 Q811 L814F770-V786 HydrophobicContact CZ-CG1 4.4Å; L775-V786 HydrophobicContact CD2-CG1 4.48Å; L775-V786 HydrophobicContact CD2-CG2 4.26Å; Y778-V786 HydrophobicContact CD1-CG2 4.25Å; Y778-V786 HydrophobicContact CE1-CG2 3.78Å; E782-V786 WeakPolarHBondContact O-CG2 2.86Å; E782-V786 PolarHBondContact O-N 3.04Å; V783-V786 PolarHBondContact O-N 3.17Å; V784-V786 PolarHBondContact O-N 3.48Å; V786-Q789 PolarHBondContact O-N 3.46Å; V786-A790 WeakPolarHBondContact O-CB 3.48Å; V786-A790 PolarHBondContact O-N 2.8Å; V786-A810 HydrophobicContact CG1-CB 4.04Å; V786-A810 VanDerWaalsContact O-CB 3.25Å; V786-A810 WeakPolarHBondContact O-CB 3.43Å; V786-Q811 HydrophobicContact CG1-CB 4.32Å; V786-L814 HydrophobicContact CG2-CB 4.33Å
787V93.3Very high92.3Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-65.9-40.9177179.50000111.3L747 E750 L751 V783 V784 Q785 A790 A791 L807L747-V787 HydrophobicContact CD2-CG2 3.53Å; E750-V787 HydrophobicContact CB-CB 4.47Å; E750-V787 HydrophobicContact CB-CG1 4.29Å; E750-V787 HydrophobicContact CB-CG2 4.29Å; L751-V787 HydrophobicContact CD2-CG1 3.8Å; L751-V787 HydrophobicContact CD2-CG2 4.49Å; L751-V787 HydrophobicContact CG-CG1 4.32Å; L751-V787 HydrophobicContact CG-CG2 4.48Å; V783-V787 PolarHBondContact O-N 3.27Å; V783-V787 VanDerWaalsContact O-N 3.16Å; V784-V787 PolarHBondContact O-N 3.49Å; Q785-V787 VanDerWaalsContact C-N 3.33Å; Q785-V787 PolarHBondContact O-N 2.87Å; V787-A790 WeakPolarHBondContact O-CB 2.98Å; V787-A790 PolarHBondContact O-N 2.84Å; V787-A791 PolarHBondContact O-N 2.83Å; V787-L807 HydrophobicContact CG2-CD2 4.34Å
788Q94.1Very high92.5Very high100 Ų10049.2 Ų49.247%0.46725%0.249SC..Hα-helixtrans-63.4-44.6176.9-173.562.420.200111.7V784 Q785 A790 A791 Q792V784-Q788 PolarHBondContact O-N 3.47Å; Q785-Q788 PolarHBondContact O-N 3.24Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 2.81Å; Q788-A791 WeakPolarHBondContact O-CB 3.46Å; Q788-A791 PolarHBondContact O-N 3.02Å; Q788-A791 VanDerWaalsContact O-N 3.13Å; Q788-Q792 PolarHBondContact O-N 2.79Å
789Q94.5Very high92.5Very high45 Ų4550.8 Ų50.821%0.2126%0.26CS..Hα-helixtrans-63.6-37.6176-174.364.726.200111.2Q785 V786 A791 Q792 I793 A810 L814Q785-Q789 WeakPolarHBondContact O-CB 3.35Å; Q785-Q789 PolarHBondContact O-N 3.48Å; V786-Q789 PolarHBondContact O-N 3.46Å; Q789-A791 VanDerWaalsContact C-N 3.29Å; Q789-A791 PolarHBondContact O-N 2.81Å; Q789-Q792 PolarHBondContact O-N 2.74Å; Q789-I793 HydrophobicContact CG-CD1 4.12Å; Q789-I793 VanDerWaalsContact O-CG1 3.29Å; Q789-I793 WeakPolarHBondContact O-CG1 3.44Å; Q789-I793 PolarHBondContact O-N 3.4Å; Q789-A810 HydrophobicContact CB-CB 3.91Å; Q789-A810 HydrophobicContact CG-CB 3.96Å; Q789-L814 HydrophobicContact CB-CD1 3.56Å; Q789-L814 HydrophobicContact CG-CD1 3.88Å; Q789-L814 HydrophobicContact CG-CG 4.41Å
790A93.8Very high92.4Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-63.4-35.8174.200000112.2V786 V787 Q788 A794 I802 H806 L807 A810V786-A790 WeakPolarHBondContact O-CB 3.48Å; V786-A790 PolarHBondContact O-N 2.8Å; V787-A790 WeakPolarHBondContact O-CB 2.98Å; V787-A790 PolarHBondContact O-N 2.84Å; Q788-A790 VanDerWaalsContact C-N 3.29Å; Q788-A790 PolarHBondContact O-N 2.81Å; A790-A794 WeakPolarHBondContact O-CB 3.42Å; A790-A794 PolarHBondContact O-N 3.5Å; A790-I802 HydrophobicContact CB-CG2 4.15Å; A790-H806 HydrophobicContact CB-CB 4.15Å; A790-H806 WeakPolarHBondContact O-CB 3.16Å; A790-L807 HydrophobicContact CB-CD2 3.68Å; A790-L807 HydrophobicContact CB-CG 4.15Å; A790-A810 HydrophobicContact CB-CB 3.83Å
791A92.9Very high92.5Very high27 Ų2761.9 Ų61.922%0.22331%0.314CS..Hα-helixtrans-66.5-40.5172.700000111.8V787 Q788 Q789 A794 R795 I802V787-A791 PolarHBondContact O-N 2.83Å; Q788-A791 WeakPolarHBondContact O-CB 3.46Å; Q788-A791 PolarHBondContact O-N 3.02Å; Q788-A791 VanDerWaalsContact O-N 3.13Å; Q789-A791 VanDerWaalsContact C-N 3.29Å; Q789-A791 PolarHBondContact O-N 2.81Å; A791-A794 WeakPolarHBondContact O-CB 3.49Å; A791-A794 PolarHBondContact O-N 3.48Å; A791-R795 PolarHBondContact O-N 2.95Å; A791-I802 HydrophobicContact CB-CD1 3.78Å; A791-I802 HydrophobicContact CB-CG1 4.29Å
792Q93.5Very high92.5Very high97 Ų9759.8 Ų59.845%0.45330%0.296SS..Hα-helixtrans-64.3-42176.2-174.2172.2-9.200112.1Q788 Q789 R795 Q796Q788-Q792 PolarHBondContact O-N 2.79Å; Q789-Q792 PolarHBondContact O-N 2.74Å; Q792-R795 PolarHBondContact O-N 3.3Å; Q792-Q796 WeakPolarHBondContact O-CG 3.31Å; Q792-Q796 PolarHBondContact O-N 2.8Å
793I94.3Very high92.4Very high1 Ų160.2 Ų60.21%0.00530%0.301CS..Hα-helixtrans-64.2-42.5174.3-65.8161.9000110.5Q789 R795 Q796 D797 H806 Q809 A810 L813Q789-I793 HydrophobicContact CG-CD1 4.12Å; Q789-I793 VanDerWaalsContact O-CG1 3.29Å; Q789-I793 WeakPolarHBondContact O-CG1 3.44Å; Q789-I793 PolarHBondContact O-N 3.4Å; I793-R795 VanDerWaalsContact C-N 3.27Å; I793-R795 PolarHBondContact O-N 2.95Å; I793-Q796 WeakPolarHBondContact O-CB 3.26Å; I793-Q796 PolarHBondContact O-N 2.95Å; I793-Q796 VanDerWaalsContact O-N 3.11Å; I793-D797 PolarHBondContact O-N 3.37Å; I793-H806 HydrophobicContact CB-CB 4.49Å; I793-H806 HydrophobicContact CG2-CB 4.3Å; I793-Q809 HydrophobicContact CD1-CB 4.05Å; I793-Q809 HydrophobicContact CD1-CG 3.91Å; I793-A810 HydrophobicContact CD1-CB 4Å; I793-L813 HydrophobicContact CD1-CD1 4.02Å
794A92.8Very high92.3Very high3 Ų364 Ų643%0.02532%0.317CS..Hα-helixtrans-56.5-44.5175.700000111.3A790 A791 D797 N798 S799 H806A790-A794 WeakPolarHBondContact O-CB 3.42Å; A790-A794 PolarHBondContact O-N 3.5Å; A791-A794 WeakPolarHBondContact O-CB 3.49Å; A791-A794 PolarHBondContact O-N 3.48Å; A794-D797 CarbonylContact O-C 3.53Å; A794-D797 PolarHBondContact O-N 3.46Å; A794-N798 PolarHBondContact O-N 2.81Å; A794-S799 CarbonylContact C-O 3.53Å; A794-S799 VanDerWaalsContact C-O 3.3Å; A794-S799 WeakPolarHBondContact O-CA 3.44Å; A794-S799 WeakPolarHBondContact O-CB 3.1Å; A794-S799 PolarHBondContact O-N 3.44Å; A794-S799 VanDerWaalsContact O-O 3.09Å; A794-H806 WeakPolarHBondContact CB-ND1 3.38Å
795R93Very high92.2Very high182 Ų18268 Ų6869%0.68733%0.331SS*.Hα-helixtrans-63.2-40.9176.1-176179177.9179.90.2112.2A791 Q792 I793 D797 N798A791-R795 PolarHBondContact O-N 2.95Å; Q792-R795 PolarHBondContact O-N 3.3Å; I793-R795 VanDerWaalsContact C-N 3.27Å; I793-R795 PolarHBondContact O-N 2.95Å; R795-D797 VanDerWaalsContact C-N 3.27Å; R795-D797 PolarHBondContact O-N 2.85Å; R795-N798 WeakPolarHBondContact O-CA 3.32Å; R795-N798 PolarHBondContact O-N 3.45Å
796Q93.5Very high92.2Very high125 Ų12563.8 Ų63.858%0.58431%0.311SS*.Hα-helixtrans-63.3-34.6175.5-72.2172.9-13.800112.1Q792 I793 N798Q792-Q796 WeakPolarHBondContact O-CG 3.31Å; Q792-Q796 PolarHBondContact O-N 2.8Å; I793-Q796 WeakPolarHBondContact O-CB 3.26Å; I793-Q796 PolarHBondContact O-N 2.95Å; I793-Q796 VanDerWaalsContact O-N 3.11Å; Q796-N798 PolarHBondContact O-N 3.39Å
797D92.8Very high92.1Very high78 Ų7863.8 Ų63.842%0.41731%0.311SS..THydrogen-bonded Turntrans-78.511.5173.5-75.21000112.8I793 A794 R795 S799 H806I793-D797 PolarHBondContact O-N 3.37Å; A794-D797 CarbonylContact O-C 3.53Å; A794-D797 PolarHBondContact O-N 3.46Å; R795-D797 VanDerWaalsContact C-N 3.27Å; R795-D797 PolarHBondContact O-N 2.85Å; D797-S799 PolarHBondContact O-N 2.58Å; D797-H806 IonicContact OD2-CD2 3.75Å; D797-H806 IonicContact OD2-NE2 3.57Å
798N89.5Confident92.1Very high152 Ų15266.8 Ų66.881%0.81333%0.326SS*.THydrogen-bonded Turntrans53.431.2-173.9-65.1-44.4000113.6A794 R795 Q796A794-N798 PolarHBondContact O-N 2.81Å; R795-N798 WeakPolarHBondContact O-CA 3.32Å; R795-N798 PolarHBondContact O-N 3.45Å; Q796-N798 PolarHBondContact O-N 3.39Å
799S89.3Confident92Very high35 Ų3565.4 Ų65.425%0.24532%0.32CS..  trans-105.5126.5178.2-164.90000111.4A794 D797 Q801A794-S799 CarbonylContact C-O 3.53Å; A794-S799 VanDerWaalsContact C-O 3.3Å; A794-S799 WeakPolarHBondContact O-CA 3.44Å; A794-S799 WeakPolarHBondContact O-CB 3.1Å; A794-S799 PolarHBondContact O-N 3.44Å; A794-S799 VanDerWaalsContact O-O 3.09Å; D797-S799 PolarHBondContact O-N 2.58Å; S799-Q801 PolarHBondContact O-N 3.1Å; S799-Q801 PolarHBondContact OG-O 2.77Å
800N89.2Confident91.9Very high155 Ų15563.3 Ų63.383%0.82931%0.31SS*.SBendtrans-78.43174-66.9-0.2000113A755A755-N800 WeakPolarHBondContact CB-O 3.4Å
801Q90.9Very high91.8Very high87 Ų8765 Ų6541%0.40732%0.318SS..SBendtrans-137.5136.2-170-72.4175.6-300111.7A755 K757 S799A755-Q801 HydrophobicContact CB-CG 4.28Å; A755-Q801 WeakPolarHBondContact O-CA 3.2Å; K757-Q801 VanDerWaalsContact CA-OE1 3.27Å; K757-Q801 HydrophobicContact CB-CB 3.94Å; S799-Q801 PolarHBondContact O-N 3.1Å; S799-Q801 PolarHBondContact OG-O 2.77Å
802I90.9Very high91.7Very high7 Ų768.5 Ų68.54%0.03634%0.337CS..BIsolated β-bridgetrans-78132.4178.9-55.7175000109.7L751 R754 A755 L756 K757 A790 A791 H806 L807L751-I802 HydrophobicContact CD2-CD1 4.49Å; L751-I802 HydrophobicContact CD2-CG2 4.41Å; R754-I802 HydrophobicContact CB-CD1 4.04Å; R754-I802 HydrophobicContact CG-CD1 4.49Å; A755-I802 PolarHBondContact O-N 3.21Å; L756-I802 HydrophobicContact CD2-CB 4.06Å; K757-I802 PolarHBondContact N-O 2.96Å; A790-I802 HydrophobicContact CB-CG2 4.15Å; A791-I802 HydrophobicContact CB-CD1 3.78Å; A791-I802 HydrophobicContact CB-CG1 4.29Å; I802-H806 HydrophobicContact CG2-CB 4.5Å; I802-L807 HydrophobicContact CG2-CG 4.24Å
803S89.5Confident91.7Very high22 Ų2268.2 Ų68.215%0.15434%0.338CS..  trans-115.1165.4177.281.40000111.3K805 H806 L807S803-K805 PolarHBondContact O-N 3.01Å; S803-K805 PolarHBondContact OG-N 2.93Å; S803-H806 PolarHBondContact N-ND1 3.12Å; S803-H806 PolarHBondContact O-N 3.2Å; S803-H806 VanDerWaalsContact O-N 3.14Å; S803-H806 PolarHBondContact OG-CD2 3.31Å; S803-H806 PolarHBondContact OG-CE1 3.25Å; S803-H806 VanDerWaalsContact OG-CE1 3.3Å; S803-H806 PolarHBondContact OG-ND1 2.89Å; S803-H806 PolarHBondContact OG-NE2 3.19Å; S803-L807 PolarHBondContact O-N 3.12Å
804K90.7Very high91.4Very high78 Ų7869.5 Ų69.534%0.33935%0.345SS..Hα-helixtrans-56.2-36.7174.6-65.5175.4-175.6169.70112.2L761 W766 H806 L807 L808L761-K804 HydrophobicContact CD1-CD 4.13Å; L761-K804 VanDerWaalsContact CD1-CE 3.48Å; L761-K804 HydrophobicContact CD1-CG 3.59Å; W766-K804 HydrophobicContact CD2-CD 4.16Å; W766-K804 HydrophobicContact CD2-CG 4.35Å; W766-K804 HydrophobicContact CE3-CD 4.33Å; W766-K804 HydrophobicContact CE3-CG 4.11Å; W766-K804 HydrophobicContact CG-CD 4.48Å; W766-K804 HydrophobicContact CH2-CB 4.09Å; W766-K804 HydrophobicContact CH2-CG 4.3Å; W766-K804 HydrophobicContact CZ2-CB 4.17Å; W766-K804 HydrophobicContact CZ3-CB 4.38Å; W766-K804 HydrophobicContact CZ3-CG 4.09Å; K804-H806 VanDerWaalsContact C-N 3.33Å; K804-H806 PolarHBondContact O-N 3.18Å; K804-L807 PolarHBondContact O-N 3.25Å; K804-L808 PolarHBondContact O-N 2.72Å; K804-L808 VanDerWaalsContact O-N 3.15Å
805K91.3Very high91.2Very high135 Ų13572.5 Ų72.559%0.58736%0.364SS*.Hα-helixtrans-61.6-41.7178.7-175-171173.1-157.90111.2S803 L808 Q809S803-K805 PolarHBondContact O-N 3.01Å; S803-K805 PolarHBondContact OG-N 2.93Å; K805-L808 PolarHBondContact O-N 2.8Å; K805-Q809 WeakPolarHBondContact O-CB 3.2Å; K805-Q809 PolarHBondContact O-N 3.02Å
806H92.5Very high90.7Very high11 Ų1165.3 Ų65.35%0.05134%0.341CS..Hα-helixtrans-68.5-37.6-178.5-48.1155.3000111.6A790 I793 A794 D797 I802 S803 K804 Q809 A810A790-H806 HydrophobicContact CB-CB 4.15Å; A790-H806 WeakPolarHBondContact O-CB 3.16Å; I793-H806 HydrophobicContact CB-CB 4.49Å; I793-H806 HydrophobicContact CG2-CB 4.3Å; A794-H806 WeakPolarHBondContact CB-ND1 3.38Å; D797-H806 IonicContact OD2-CD2 3.75Å; D797-H806 IonicContact OD2-NE2 3.57Å; I802-H806 HydrophobicContact CG2-CB 4.5Å; S803-H806 PolarHBondContact N-ND1 3.12Å; S803-H806 PolarHBondContact O-N 3.2Å; S803-H806 VanDerWaalsContact O-N 3.14Å; S803-H806 PolarHBondContact OG-CD2 3.31Å; S803-H806 PolarHBondContact OG-CE1 3.25Å; S803-H806 VanDerWaalsContact OG-CE1 3.3Å; S803-H806 PolarHBondContact OG-ND1 2.89Å; S803-H806 PolarHBondContact OG-NE2 3.19Å; K804-H806 VanDerWaalsContact C-N 3.33Å; K804-H806 PolarHBondContact O-N 3.18Å; H806-Q809 PolarHBondContact O-N 3.4Å; H806-A810 VanDerWaalsContact O-CB 3.27Å; H806-A810 WeakPolarHBondContact O-CB 3.43Å; H806-A810 PolarHBondContact O-N 3.13Å
807L91.9Very high90.2Very high0 Ų066.7 Ų66.70%034%0.341CS..Hα-helixtrans-64.4-42.7175.2-73.2170.3000112.3L751 L761 W766 F770 V787 A790 I802 S803 K804 A810 Q811L751-L807 HydrophobicContact CD1-CD1 4.2Å; L751-L807 HydrophobicContact CD2-CD1 4.38Å; L751-L807 HydrophobicContact CD2-CD2 4.35Å; L761-L807 HydrophobicContact CD2-CD1 4.12Å; W766-L807 HydrophobicContact CH2-CB 4.32Å; W766-L807 HydrophobicContact CH2-CD1 4.44Å; W766-L807 HydrophobicContact CZ3-CD1 4.14Å; F770-L807 HydrophobicContact CE1-CB 4.42Å; F770-L807 HydrophobicContact CE2-CB 4.48Å; F770-L807 HydrophobicContact CZ-CB 4.05Å; V787-L807 HydrophobicContact CG2-CD2 4.34Å; A790-L807 HydrophobicContact CB-CD2 3.68Å; A790-L807 HydrophobicContact CB-CG 4.15Å; I802-L807 HydrophobicContact CG2-CG 4.24Å; S803-L807 PolarHBondContact O-N 3.12Å; K804-L807 PolarHBondContact O-N 3.25Å; L807-A810 PolarHBondContact O-N 2.94Å; L807-Q811 PolarHBondContact O-N 3.22Å
808L92.7Very high89.7Confident62 Ų6264.9 Ų64.933%0.32533%0.334SS..Hα-helixtrans-61.1-47.3175.4-75.5163.5000111.4W766 F770 Q774 K804 K805 A810 Q811 T812W766-L808 HydrophobicContact CH2-CG 4.38Å; W766-L808 HydrophobicContact CZ2-CD1 4.02Å; W766-L808 HydrophobicContact CZ2-CD2 4.19Å; W766-L808 HydrophobicContact CZ2-CG 3.91Å; F770-L808 HydrophobicContact CD2-CD2 4.26Å; F770-L808 HydrophobicContact CE2-CD2 4.16Å; Q774-L808 VanDerWaalsContact NE2-CD2 3.27Å; K804-L808 PolarHBondContact O-N 2.72Å; K804-L808 VanDerWaalsContact O-N 3.15Å; K805-L808 PolarHBondContact O-N 2.8Å; L808-A810 VanDerWaalsContact C-N 3.34Å; L808-A810 PolarHBondContact O-N 3.49Å; L808-Q811 PolarHBondContact O-N 2.91Å; L808-T812 WeakPolarHBondContact O-CG2 3.37Å; L808-T812 PolarHBondContact O-N 3.16Å
809Q92.8Very high89.3Confident72 Ų7257.9 Ų57.934%0.33630%0.297SS..Hα-helixtrans-67-34.4178.6-171.7179-11.500112.5I793 K805 H806 T812 L813I793-Q809 HydrophobicContact CD1-CB 4.05Å; I793-Q809 HydrophobicContact CD1-CG 3.91Å; K805-Q809 WeakPolarHBondContact O-CB 3.2Å; K805-Q809 PolarHBondContact O-N 3.02Å; H806-Q809 PolarHBondContact O-N 3.4Å; Q809-T812 PolarHBondContact O-OG1 2.8Å; Q809-L813 HydrophobicContact CG-CD1 4.46Å; Q809-L813 VanDerWaalsContact O-CG 3.28Å; Q809-L813 WeakPolarHBondContact O-CG 3.42Å; Q809-L813 PolarHBondContact O-N 3.13Å
810A93.2Very high88.9Confident0 Ų060.9 Ų60.90%031%0.31CS..Hα-helixtrans-65.8-41.5174.900000112.2V786 Q789 A790 I793 H806 L807 L808 L813 L814V786-A810 HydrophobicContact CG1-CB 4.04Å; V786-A810 VanDerWaalsContact O-CB 3.25Å; V786-A810 WeakPolarHBondContact O-CB 3.43Å; Q789-A810 HydrophobicContact CB-CB 3.91Å; Q789-A810 HydrophobicContact CG-CB 3.96Å; A790-A810 HydrophobicContact CB-CB 3.83Å; I793-A810 HydrophobicContact CD1-CB 4Å; H806-A810 VanDerWaalsContact O-CB 3.27Å; H806-A810 WeakPolarHBondContact O-CB 3.43Å; H806-A810 PolarHBondContact O-N 3.13Å; L807-A810 PolarHBondContact O-N 2.94Å; L808-A810 VanDerWaalsContact C-N 3.34Å; L808-A810 PolarHBondContact O-N 3.49Å; A810-L813 PolarHBondContact O-N 2.89Å; A810-L814 PolarHBondContact O-N 3.47Å
811Q91.2Very high88.4Confident37 Ų3758 Ų5817%0.17329%0.294CS..Hα-helixtrans-64.1-40.5178.4-177.5-83.5-14.400111.9F770 Q774 L775 V786 L807 L808 L813 L814F770-Q811 HydrophobicContact CE2-CB 4.17Å; F770-Q811 HydrophobicContact CZ-CB 3.97Å; F770-Q811 HydrophobicContact CZ-CG 4.41Å; Q774-Q811 HydrophobicContact CB-CG 4.16Å; Q774-Q811 PolarHBondContact O-NE2 2.92Å; L775-Q811 HydrophobicContact CD2-CG 3.92Å; V786-Q811 HydrophobicContact CG1-CB 4.32Å; L807-Q811 PolarHBondContact O-N 3.22Å; L808-Q811 PolarHBondContact O-N 2.91Å; Q811-L813 VanDerWaalsContact C-N 3.28Å; Q811-L813 PolarHBondContact O-N 3.37Å; Q811-L814 CarbonylContact O-C 3.5Å; Q811-L814 PolarHBondContact O-N 3.41Å
812T90.8Very high87.9Confident99 Ų9955.3 Ų55.361%0.60728%0.28SS*.Hα-helixtrans-66.8-31.5178.656.80000112.5L808 Q809L808-T812 WeakPolarHBondContact O-CG2 3.37Å; L808-T812 PolarHBondContact O-N 3.16Å; Q809-T812 PolarHBondContact O-OG1 2.8Å
813L92Very high87.3Confident92 Ų9259.1 Ų59.148%0.48230%0.297SS..Hα-helixtrans-77.4-29176.4-67.4171.9000113.1I793 Q809 A810 Q811 P815I793-L813 HydrophobicContact CD1-CD1 4.02Å; Q809-L813 HydrophobicContact CG-CD1 4.46Å; Q809-L813 VanDerWaalsContact O-CG 3.28Å; Q809-L813 WeakPolarHBondContact O-CG 3.42Å; Q809-L813 PolarHBondContact O-N 3.13Å; A810-L813 PolarHBondContact O-N 2.89Å; Q811-L813 VanDerWaalsContact C-N 3.28Å; Q811-L813 PolarHBondContact O-N 3.37Å; L813-P815 VanDerWaalsContact O-CD 3.3Å; L813-P815 WeakPolarHBondContact O-CD 3.3Å
814L89.5Confident86.8Confident28 Ų2860.5 Ų60.515%0.14731%0.307CS..SBendtrans-119.282-174.8-66.1175.8000111.4Y778 Q785 V786 Q789 A810 Q811Y778-L814 VanDerWaalsContact CE1-O 3.25Å; Y778-L814 WeakPolarHBondContact CE1-O 3.34Å; Y778-L814 PolarHBondContact OH-O 3.45Å; Q785-L814 HydrophobicContact CB-CD1 4.45Å; Q785-L814 HydrophobicContact CG-CD1 3.81Å; V786-L814 HydrophobicContact CG2-CB 4.33Å; Q789-L814 HydrophobicContact CB-CD1 3.56Å; Q789-L814 HydrophobicContact CG-CD1 3.88Å; Q789-L814 HydrophobicContact CG-CG 4.41Å; A810-L814 PolarHBondContact O-N 3.47Å; Q811-L814 CarbonylContact O-C 3.5Å; Q811-L814 PolarHBondContact O-N 3.41Å
815P87.4Confident85.9Confident66 Ų6661.7 Ų61.743%0.42931%0.313SS..  trans-69.6157.5171.729.6-35.2000112Y778 L813 R817Y778-P815 WeakPolarHBondContact OH-CA 3.21Å; L813-P815 VanDerWaalsContact O-CD 3.3Å; L813-P815 WeakPolarHBondContact O-CD 3.3Å; P815-R817 PolarHBondContact O-N 3.35Å
816P83.9Confident85Confident31 Ų3159.9 Ų59.920%0.20130%0.303CS..  trans-70.9129.6-179.529.2-30.3000110.5N777 Y778N777-P816 WeakPolarHBondContact O-CB 3.42Å; Y778-P816 HydrophobicContact CD1-CB 4.49Å; Y778-P816 HydrophobicContact CD2-CB 3.74Å; Y778-P816 HydrophobicContact CD2-CG 3.99Å; Y778-P816 HydrophobicContact CE1-CB 4.5Å; Y778-P816 HydrophobicContact CE2-CB 3.79Å; Y778-P816 VanDerWaalsContact CE2-CD 3.48Å; Y778-P816 HydrophobicContact CE2-CG 3.65Å; Y778-P816 HydrophobicContact CG-CB 4.13Å; Y778-P816 WeakPolarHBondContact OH-CD 3.4Å
817R82.6Confident84Confident154 Ų15466.3 Ų66.358%0.58133%0.331SS*.  trans-119.5-40.3-176.7-61.5178-172.8177.61.2112E782 P815 L820 N821E782-R817 PolarHBondContact OE1-N 2.86Å; P815-R817 PolarHBondContact O-N 3.35Å; R817-L820 PolarHBondContact O-N 2.8Å; R817-N821 PolarHBondContact O-N 2.89Å; R817-N821 PolarHBondContact O-ND2 3.39Å
818S81.1Confident82.9Confident40 Ų4070.9 Ų70.928%0.2835%0.354SS..Hα-helixtrans-68.3-47.3-164.9-52.30000112.3E782 N821 Y822E782-S818 VanDerWaalsContact OE1-CB 3.24Å; E782-S818 WeakPolarHBondContact OE1-CB 3.34Å; E782-S818 PolarHBondContact OE1-N 2.95Å; E782-S818 PolarHBondContact OE1-OG 3.49Å; S818-N821 PolarHBondContact O-N 2.86Å; S818-Y822 WeakPolarHBondContact O-CB 3.34Å; S818-Y822 PolarHBondContact O-N 2.94Å
819L81.6Confident81.4Confident4 Ų470 Ų702%0.02135%0.349CS..Hα-helixtrans-67.3-39.9179.6-69.3-172.9000112.7P611 P737 N777 T779 N821 Y822 F823P611-L819 HydrophobicContact CB-CD2 3.56Å; P611-L819 HydrophobicContact CG-CD2 3.56Å; P737-L819 HydrophobicContact CB-CD1 3.68Å; P737-L819 HydrophobicContact CB-CD2 4.05Å; P737-L819 HydrophobicContact CG-CD1 4.01Å; P737-L819 HydrophobicContact CG-CD2 3.72Å; N777-L819 HydrophobicContact CB-CD1 4.37Å; N777-L819 VanDerWaalsContact O-CD1 3.24Å; N777-L819 WeakPolarHBondContact O-CD1 3.42Å; T779-L819 HydrophobicContact CG2-CD1 4.39Å; T779-L819 HydrophobicContact CG2-CD2 3.65Å; T779-L819 HydrophobicContact CG2-CG 3.61Å; L819-N821 VanDerWaalsContact C-N 3.33Å; L819-N821 PolarHBondContact O-N 2.8Å; L819-Y822 WeakPolarHBondContact O-CB 3.41Å; L819-Y822 PolarHBondContact O-N 3.32Å; L819-F823 HydrophobicContact CB-CD2 4.33Å; L819-F823 HydrophobicContact CB-CE2 4.12Å; L819-F823 WeakPolarHBondContact O-CD2 2.99Å; L819-F823 PolarHBondContact O-N 3.49Å
820L80.8Confident80Confident99 Ų9970.3 Ų70.352%0.51835%0.353SS..Hα-helixtrans-61.3-44.8179-70.6174.8000111.1R817 S824R817-L820 PolarHBondContact O-N 2.8Å; L820-S824 WeakPolarHBondContact O-CB 3.31Å; L820-S824 PolarHBondContact O-N 3.11Å; L820-S824 PolarHBondContact O-OG 3.13Å
821N80Confident78.4Confident94 Ų9475.2 Ų75.250%0.50338%0.38SS..Hα-helixtrans-65.9-39.1176.2-71.5-15.6000112.2R817 S818 L819 S824 Q825R817-N821 PolarHBondContact O-N 2.89Å; R817-N821 PolarHBondContact O-ND2 3.39Å; S818-N821 PolarHBondContact O-N 2.86Å; L819-N821 VanDerWaalsContact C-N 3.33Å; L819-N821 PolarHBondContact O-N 2.8Å; N821-S824 WeakPolarHBondContact CA-OG 3.24Å; N821-S824 PolarHBondContact O-N 2.85Å; N821-S824 PolarHBondContact O-OG 2.77Å; N821-Q825 WeakPolarHBondContact O-CB 3Å; N821-Q825 VanDerWaalsContact O-CG 3.26Å; N821-Q825 WeakPolarHBondContact O-CG 3.28Å; N821-Q825 PolarHBondContact O-N 3.41Å
822Y78.6Confident76.8Confident30 Ų3079.5 Ų79.512%0.11840%0.399CS..Hα-helixtrans-61.5-49.3176.9179.3-102.4000112P611 N714 S818 L819 R826P611-Y822 HydrophobicContact CB-CD1 3.92Å; P611-Y822 HydrophobicContact CB-CD2 4.15Å; P611-Y822 HydrophobicContact CB-CE1 4.2Å; P611-Y822 HydrophobicContact CB-CE2 4.42Å; P611-Y822 HydrophobicContact CB-CG 3.89Å; P611-Y822 HydrophobicContact CG-CD1 4.27Å; P611-Y822 HydrophobicContact CG-CE1 4.24Å; N714-Y822 WeakPolarHBondContact O-CE2 3.31Å; S818-Y822 WeakPolarHBondContact O-CB 3.34Å; S818-Y822 PolarHBondContact O-N 2.94Å; L819-Y822 WeakPolarHBondContact O-CB 3.41Å; L819-Y822 PolarHBondContact O-N 3.32Å; Y822-R826 PolarHBondContact O-N 2.87Å; Y822-R826 VanDerWaalsContact O-N 3.13Å
823F80.1Confident75.2Confident88 Ų8878.4 Ų78.439%0.38639%0.392SS..Hα-helixtrans-70.8-33.1179.4-68.2-58.7000113.1P737 L819 R826 K827P737-F823 HydrophobicContact CG-CZ 4.42Å; L819-F823 HydrophobicContact CB-CD2 4.33Å; L819-F823 HydrophobicContact CB-CE2 4.12Å; L819-F823 WeakPolarHBondContact O-CD2 2.99Å; L819-F823 PolarHBondContact O-N 3.49Å; F823-R826 PolarHBondContact O-N 2.84Å; F823-K827 WeakPolarHBondContact O-CG 3.39Å; F823-K827 PolarHBondContact O-N 2.63Å
824S77.4Confident73.3Confident51 Ų5177.2 Ų77.236%0.35739%0.389SS..Hα-helixtrans-66.5-44.517768.30000111.4L820 N821 R826 K827 I828L820-S824 WeakPolarHBondContact O-CB 3.31Å; L820-S824 PolarHBondContact O-N 3.11Å; L820-S824 PolarHBondContact O-OG 3.13Å; N821-S824 WeakPolarHBondContact CA-OG 3.24Å; N821-S824 PolarHBondContact O-N 2.85Å; N821-S824 PolarHBondContact O-OG 2.77Å; S824-R826 PolarHBondContact O-N 3.38Å; S824-K827 PolarHBondContact O-N 3.17Å; S824-I828 VanDerWaalsContact O-CG1 3.3Å; S824-I828 WeakPolarHBondContact O-CG1 3.44Å; S824-I828 PolarHBondContact O-N 3.44Å
825Q72.7Confident71.3Confident103 Ų10381.5 Ų81.548%0.48141%0.41SS..Hα-helixtrans-60-46.1174.7-72.3175.17.700111.4N821 K827 I828 I829N821-Q825 WeakPolarHBondContact O-CB 3Å; N821-Q825 VanDerWaalsContact O-CG 3.26Å; N821-Q825 WeakPolarHBondContact O-CG 3.28Å; N821-Q825 PolarHBondContact O-N 3.41Å; Q825-K827 VanDerWaalsContact C-N 3.33Å; Q825-K827 PolarHBondContact O-N 3.33Å; Q825-I828 PolarHBondContact O-N 3.16Å; Q825-I829 VanDerWaalsContact O-CG1 3.29Å; Q825-I829 WeakPolarHBondContact O-CG1 3.39Å; Q825-I829 PolarHBondContact O-N 3.3Å
826R71.9Confident69.6Low96 Ų9681.1 Ų81.136%0.36241%0.409SS..Hα-helixtrans-62.5-37.8178.5-160.3177.1-179.9-171.1-0.5112.5Y822 F823 S824 N830Y822-R826 PolarHBondContact O-N 2.87Å; Y822-R826 VanDerWaalsContact O-N 3.13Å; F823-R826 PolarHBondContact O-N 2.84Å; S824-R826 PolarHBondContact O-N 3.38Å; R826-N830 WeakPolarHBondContact O-CB 3.38Å; R826-N830 VanDerWaalsContact O-CG 3.27Å; R826-N830 PolarHBondContact O-N 2.95Å
827K71.8Confident68.1Low146 Ų14682.7 Ų82.764%0.63542%0.418SS*.Hα-helixtrans-65.8-43.4173.7-77.8-179-179-178.20112.4F823 S824 Q825 I829 N830 N831F823-K827 WeakPolarHBondContact O-CG 3.39Å; F823-K827 PolarHBondContact O-N 2.63Å; S824-K827 PolarHBondContact O-N 3.17Å; Q825-K827 VanDerWaalsContact C-N 3.33Å; Q825-K827 PolarHBondContact O-N 3.33Å; K827-I829 VanDerWaalsContact C-N 3.32Å; K827-I829 PolarHBondContact O-N 2.85Å; K827-N830 PolarHBondContact O-N 3.22Å; K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.02Å; K827-N831 PolarHBondContact O-OD1 3.47Å
828I68.4Low66.5Low97 Ų9779.6 Ų79.650%0.49741%0.413SS..Hα-helixtrans-60.2-45.6177.3-67.3162.5000110S824 Q825 N831 Q832S824-I828 VanDerWaalsContact O-CG1 3.3Å; S824-I828 WeakPolarHBondContact O-CG1 3.44Å; S824-I828 PolarHBondContact O-N 3.44Å; Q825-I828 PolarHBondContact O-N 3.16Å; I828-N831 PolarHBondContact O-N 3.49Å; I828-Q832 WeakPolarHBondContact O-CG 3.31Å; I828-Q832 PolarHBondContact O-N 2.84Å
829I60.7Low65Low43 Ų4382.7 Ų82.722%0.22143%0.426CS..Hα-helixtrans-64.1-49.8178.5-64.7164.4000110.6Q825 K827 N831 Q832 V833Q825-I829 VanDerWaalsContact O-CG1 3.29Å; Q825-I829 WeakPolarHBondContact O-CG1 3.39Å; Q825-I829 PolarHBondContact O-N 3.3Å; K827-I829 VanDerWaalsContact C-N 3.32Å; K827-I829 PolarHBondContact O-N 2.85Å; I829-N831 PolarHBondContact O-N 3.25Å; I829-Q832 WeakPolarHBondContact O-CB 3.38Å; I829-Q832 PolarHBondContact O-N 3.28Å; I829-V833 HydrophobicContact CG2-CG2 4.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.38Å; I829-V833 PolarHBondContact O-N 2.84Å
830N64.3Low63.5Low79 Ų7987 Ų8742%0.42245%0.449SS..Hα-helixtrans-58.9-36.5177.3-75.8-8.4000112.2R826 K827 T834R826-N830 WeakPolarHBondContact O-CB 3.38Å; R826-N830 VanDerWaalsContact O-CG 3.27Å; R826-N830 PolarHBondContact O-N 2.95Å; K827-N830 PolarHBondContact O-N 3.22Å; N830-T834 WeakPolarHBondContact O-CB 3.38Å; N830-T834 WeakPolarHBondContact O-CG2 3.41Å; N830-T834 PolarHBondContact O-N 3.4Å; N830-T834 PolarHBondContact O-OG1 2.83Å
831N60Low61.7Low103 Ų10386.3 Ų86.355%0.55145%0.446SS*.Hα-helixtrans-69.1-37.8175-72.2-6.5000111.9K827 I828 I829 T834 M835K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.02Å; K827-N831 PolarHBondContact O-OD1 3.47Å; I828-N831 PolarHBondContact O-N 3.49Å; I829-N831 PolarHBondContact O-N 3.25Å; N831-T834 VanDerWaalsContact CA-OG1 3.26Å; N831-T834 WeakPolarHBondContact CA-OG1 3.48Å; N831-T834 PolarHBondContact O-OG1 3.27Å; N831-M835 VanDerWaalsContact O-CB 3.31Å; N831-M835 WeakPolarHBondContact O-CB 3.18Å; N831-M835 WeakPolarHBondContact O-CG 3.44Å; N831-M835 PolarHBondContact O-N 3.4Å
832Q57.3Low60.2Low126 Ų12687.4 Ų87.459%0.58945%0.451SS*.Hα-helixtrans-67.8-40.2174-72.9176-7.200112.2I828 I829 M835 S836I828-Q832 WeakPolarHBondContact O-CG 3.31Å; I828-Q832 PolarHBondContact O-N 2.84Å; I829-Q832 WeakPolarHBondContact O-CB 3.38Å; I829-Q832 PolarHBondContact O-N 3.28Å; Q832-M835 PolarHBondContact O-N 3.11Å; Q832-S836 WeakPolarHBondContact O-CB 3.38Å; Q832-S836 PolarHBondContact O-N 2.96Å; Q832-S836 PolarHBondContact O-OG 3.29Å
833V56.8Low58.9Low76 Ų7688 Ų8846%0.46146%0.46SS..Hα-helixtrans-65.2-42.6175.4176.40000110.7I829 S836 T837I829-V833 HydrophobicContact CG2-CG2 4.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.38Å; I829-V833 PolarHBondContact O-N 2.84Å; V833-S836 WeakPolarHBondContact CA-OG 3.4Å; V833-S836 PolarHBondContact O-OG 3.02Å; V833-T837 HydrophobicContact CG1-CG2 4.37Å; V833-T837 WeakPolarHBondContact O-CB 3.11Å; V833-T837 WeakPolarHBondContact O-CG2 3.37Å; V833-T837 PolarHBondContact O-N 2.92Å; V833-T837 PolarHBondContact O-OG1 3.44Å
834T53.3Low57.3Low68 Ų6887.8 Ų87.842%0.41746%0.462SS..Hα-helixtrans-68.1-37175.549.60000112.7N830 N831 T837 N838N830-T834 WeakPolarHBondContact O-CB 3.38Å; N830-T834 WeakPolarHBondContact O-CG2 3.41Å; N830-T834 PolarHBondContact O-N 3.4Å; N830-T834 PolarHBondContact O-OG1 2.83Å; N831-T834 VanDerWaalsContact CA-OG1 3.26Å; N831-T834 WeakPolarHBondContact CA-OG1 3.48Å; N831-T834 PolarHBondContact O-OG1 3.27Å; T834-T837 VanDerWaalsContact CA-OG1 3.3Å; T834-T837 WeakPolarHBondContact CA-OG1 3.48Å; T834-T837 PolarHBondContact O-OG1 2.96Å; T834-T837 VanDerWaalsContact O-OG1 3.05Å; T834-N838 WeakPolarHBondContact O-CB 3.17Å; T834-N838 PolarHBondContact O-N 3Å; T834-N838 PolarHBondContact O-ND2 3.41Å
835M46.9Very low55.9Low118 Ų11894.2 Ų94.258%0.58148%0.478SS*.Hα-helixtrans-69.1-43.1175-72.8-72.7-90.700112.5N831 Q832 N838 N839N831-M835 VanDerWaalsContact O-CB 3.31Å; N831-M835 WeakPolarHBondContact O-CB 3.18Å; N831-M835 WeakPolarHBondContact O-CG 3.44Å; N831-M835 PolarHBondContact O-N 3.4Å; Q832-M835 PolarHBondContact O-N 3.11Å; M835-N838 PolarHBondContact O-N 3.13Å; M835-N839 WeakPolarHBondContact O-CB 3.24Å; M835-N839 PolarHBondContact O-N 3.44Å
836S52Low54.9Low57 Ų5795.4 Ų95.440%0.39948%0.484SS..Hα-helixtrans-66.6-40.9175.955.50000112.2Q832 V833 N840Q832-S836 WeakPolarHBondContact O-CB 3.38Å; Q832-S836 PolarHBondContact O-N 2.96Å; Q832-S836 PolarHBondContact O-OG 3.29Å; V833-S836 WeakPolarHBondContact CA-OG 3.4Å; V833-S836 PolarHBondContact O-OG 3.02Å; S836-N840 VanDerWaalsContact O-CB 3.26Å; S836-N840 WeakPolarHBondContact O-CB 3.38Å; S836-N840 VanDerWaalsContact O-CG 3.26Å; S836-N840 PolarHBondContact O-N 2.88Å; S836-N840 PolarHBondContact O-ND2 2.76Å
837T51Low53.8Low64 Ų6497.9 Ų97.939%0.39350%0.497SS..Hα-helixtrans-66.7-39.3174.151.80000111.4V833 T834 N840 L841V833-T837 HydrophobicContact CG1-CG2 4.37Å; V833-T837 WeakPolarHBondContact O-CB 3.11Å; V833-T837 WeakPolarHBondContact O-CG2 3.37Å; V833-T837 PolarHBondContact O-N 2.92Å; V833-T837 PolarHBondContact O-OG1 3.44Å; T834-T837 VanDerWaalsContact CA-OG1 3.3Å; T834-T837 WeakPolarHBondContact CA-OG1 3.48Å; T834-T837 PolarHBondContact O-OG1 2.96Å; T834-T837 VanDerWaalsContact O-OG1 3.05Å; T837-N840 PolarHBondContact O-N 3Å; T837-L841 WeakPolarHBondContact O-CB 3.44Å; T837-L841 WeakPolarHBondContact O-CD1 3.48Å; T837-L841 VanDerWaalsContact O-CG 3.29Å; T837-L841 WeakPolarHBondContact O-CG 3.23Å; T837-L841 PolarHBondContact O-N 3.07Å
838N50.1Low53Low90 Ų9095 Ų9548%0.48149%0.491SS..Hα-helixtrans-66.6-42.2175.1-79.1-21000113.1T834 M835 L841 L842T834-N838 WeakPolarHBondContact O-CB 3.17Å; T834-N838 PolarHBondContact O-N 3Å; T834-N838 PolarHBondContact O-ND2 3.41Å; M835-N838 PolarHBondContact O-N 3.13Å; N838-L841 PolarHBondContact O-N 3.24Å; N838-L842 PolarHBondContact O-N 3.48Å
839N50.2Low52.5Low104 Ų10496 Ų9656%0.55650%0.497SS*.Hα-helixtrans-66.1-40.6176.2-71.4-11.6000111.2M835 L842 S843M835-N839 WeakPolarHBondContact O-CB 3.24Å; M835-N839 PolarHBondContact O-N 3.44Å; N839-L842 PolarHBondContact O-N 3.39Å; N839-S843 PolarHBondContact O-N 3.44Å
840N49.4Very low52.7Low95 Ų9598.7 Ų98.751%0.50851%0.511SS..Hα-helixtrans-68.6-37.4174.3-73.4-20.8000111.5S836 T837 S843 I844S836-N840 VanDerWaalsContact O-CB 3.26Å; S836-N840 WeakPolarHBondContact O-CB 3.38Å; S836-N840 VanDerWaalsContact O-CG 3.26Å; S836-N840 PolarHBondContact O-N 2.88Å; S836-N840 PolarHBondContact O-ND2 2.76Å; T837-N840 PolarHBondContact O-N 3Å; N840-S843 CarbonylContact O-C 3.54Å; N840-S843 PolarHBondContact O-N 3.5Å; N840-S843 PolarHBondContact O-OG 2.96Å; N840-I844 HydrophobicContact CB-CD1 4.31Å; N840-I844 VanDerWaalsContact O-CB 3.23Å; N840-I844 WeakPolarHBondContact O-CB 3.41Å; N840-I844 WeakPolarHBondContact O-CD1 3.5Å; N840-I844 WeakPolarHBondContact O-CG1 3.35Å; N840-I844 PolarHBondContact O-N 3.07Å
841L43.7Very low52.7Low84 Ų84102 Ų10244%0.4452%0.522SS..Hα-helixtrans-65.8-35.3175.8-88.4157000112.5T837 N838 I844 R845T837-L841 WeakPolarHBondContact O-CB 3.44Å; T837-L841 WeakPolarHBondContact O-CD1 3.48Å; T837-L841 VanDerWaalsContact O-CG 3.29Å; T837-L841 WeakPolarHBondContact O-CG 3.23Å; T837-L841 PolarHBondContact O-N 3.07Å; N838-L841 PolarHBondContact O-N 3.24Å; L841-I844 PolarHBondContact O-N 3.35Å; L841-R845 VanDerWaalsContact O-CB 3.32Å; L841-R845 WeakPolarHBondContact O-CB 3.38Å; L841-R845 WeakPolarHBondContact O-CG 3.4Å; L841-R845 PolarHBondContact O-N 3.13Å
842L47.6Very low53.2Low117 Ų117100.5 Ų100.561%0.61352%0.518SS*.Hα-helixtrans-65.2-43.3171.7-106.5135.7000111.1N838 N839 Q846N838-L842 PolarHBondContact O-N 3.48Å; N839-L842 PolarHBondContact O-N 3.39Å; L842-Q846 PolarHBondContact O-N 3.06Å
843S51.4Low54.1Low43 Ų4398.2 Ų98.230%0.30151%0.512SS..Hα-helixtrans-68.4-34.6174.490.70000112.7N839 N840 K847N839-S843 PolarHBondContact O-N 3.44Å; N840-S843 CarbonylContact O-C 3.54Å; N840-S843 PolarHBondContact O-N 3.5Å; N840-S843 PolarHBondContact O-OG 2.96Å; S843-K847 VanDerWaalsContact O-CB 3.28Å; S843-K847 WeakPolarHBondContact O-CB 3.25Å; S843-K847 VanDerWaalsContact O-CG 3.29Å; S843-K847 WeakPolarHBondContact O-CG 3.35Å; S843-K847 PolarHBondContact O-N 3.11Å
844I47.6Very low55Low84 Ų8499.4 Ų99.443%0.43152%0.516SS..Hα-helixtrans-73.7-43.6-179.8-76.6160.7000109.5N840 L841 Q846 K847 T848N840-I844 HydrophobicContact CB-CD1 4.31Å; N840-I844 VanDerWaalsContact O-CB 3.23Å; N840-I844 WeakPolarHBondContact O-CB 3.41Å; N840-I844 WeakPolarHBondContact O-CD1 3.5Å; N840-I844 WeakPolarHBondContact O-CG1 3.35Å; N840-I844 PolarHBondContact O-N 3.07Å; L841-I844 PolarHBondContact O-N 3.35Å; I844-Q846 VanDerWaalsContact C-N 3.3Å; I844-Q846 PolarHBondContact O-N 3.32Å; I844-K847 CarbonylContact O-C 3.57Å; I844-K847 PolarHBondContact O-N 3.08Å; I844-T848 HydrophobicContact CG2-CG2 3.85Å; I844-T848 WeakPolarHBondContact O-CB 3.35Å; I844-T848 VanDerWaalsContact O-CG2 3.29Å; I844-T848 WeakPolarHBondContact O-CG2 3.28Å; I844-T848 PolarHBondContact O-N 3.19Å; I844-T848 PolarHBondContact O-OG1 2.93Å
845R47.4Very low56.2Low185 Ų185100.7 Ų100.770%0.69852%0.519SS*.Hα-helixtrans-62.2-37.7175.3-81-171.6171.4-173.7-1.4112.1L841 T848 L849L841-R845 VanDerWaalsContact O-CB 3.32Å; L841-R845 WeakPolarHBondContact O-CB 3.38Å; L841-R845 WeakPolarHBondContact O-CG 3.4Å; L841-R845 PolarHBondContact O-N 3.13Å; R845-T848 WeakPolarHBondContact CA-OG1 3.4Å; R845-T848 PolarHBondContact O-OG1 3.36Å; R845-L849 PolarHBondContact O-N 3.23Å
846Q52.1Low57.9Low129 Ų129100.4 Ų100.460%0.60352%0.519SS*.Hα-helixtrans-68.3-46.1172.4-73.5-176-13.200111.3L842 I844 T848 L849 I850L842-Q846 PolarHBondContact O-N 3.06Å; I844-Q846 VanDerWaalsContact C-N 3.3Å; I844-Q846 PolarHBondContact O-N 3.32Å; Q846-T848 PolarHBondContact O-N 3.36Å; Q846-L849 PolarHBondContact O-N 3.4Å; Q846-I850 WeakPolarHBondContact O-CB 3.35Å; Q846-I850 VanDerWaalsContact O-CD1 3.28Å; Q846-I850 WeakPolarHBondContact O-CD1 3.48Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.31Å
847K47.2Very low59.3Low147 Ų147100.7 Ų100.764%0.63952%0.52SS*.Hα-helixtrans-65.8-37.6178.7-77.7178.5176.61790113.5S843 I844 L849 I850 F851S843-K847 VanDerWaalsContact O-CB 3.28Å; S843-K847 WeakPolarHBondContact O-CB 3.25Å; S843-K847 VanDerWaalsContact O-CG 3.29Å; S843-K847 WeakPolarHBondContact O-CG 3.35Å; S843-K847 PolarHBondContact O-N 3.11Å; I844-K847 CarbonylContact O-C 3.57Å; I844-K847 PolarHBondContact O-N 3.08Å; K847-L849 VanDerWaalsContact C-N 3.33Å; K847-I850 PolarHBondContact O-N 3.33Å; K847-F851 PolarHBondContact O-N 3.06Å; K847-F851 VanDerWaalsContact O-N 3.12Å
848T55.2Low61Low85 Ų85101.9 Ų101.952%0.52152%0.524SS..Hα-helixtrans-75.8-19.818055.40000113I844 R845 Q846 P852I844-T848 HydrophobicContact CG2-CG2 3.85Å; I844-T848 WeakPolarHBondContact O-CB 3.35Å; I844-T848 VanDerWaalsContact O-CG2 3.29Å; I844-T848 WeakPolarHBondContact O-CG2 3.28Å; I844-T848 PolarHBondContact O-N 3.19Å; I844-T848 PolarHBondContact O-OG1 2.93Å; R845-T848 WeakPolarHBondContact CA-OG1 3.4Å; R845-T848 PolarHBondContact O-OG1 3.36Å; Q846-T848 PolarHBondContact O-N 3.36Å; T848-P852 WeakPolarHBondContact O-CD 3.3Å; T848-P852 WeakPolarHBondContact O-CG 3.4Å
849L57.9Low62.5Low119 Ų119100 Ų10062%0.62352%0.52SS*.Hα-helixtrans-86.4-36.9168.9-105.8140000112.3R845 Q846 K847 P852 V853R845-L849 PolarHBondContact O-N 3.23Å; Q846-L849 PolarHBondContact O-N 3.4Å; K847-L849 VanDerWaalsContact C-N 3.33Å; L849-P852 WeakPolarHBondContact O-CD 3.39Å; L849-P852 WeakPolarHBondContact O-CG 3.46Å; L849-V853 VanDerWaalsContact O-CG2 3.22Å; L849-V853 WeakPolarHBondContact O-CG2 3.42Å; L849-V853 PolarHBondContact O-N 3.28Å
850I64.5Low64.3Low100 Ų10098.8 Ų98.851%0.51351%0.513SS..Hα-helixtrans-65.5-42.9179.7-69.5161.9000111Q846 K847 V853 L854Q846-I850 WeakPolarHBondContact O-CB 3.35Å; Q846-I850 VanDerWaalsContact O-CD1 3.28Å; Q846-I850 WeakPolarHBondContact O-CD1 3.48Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.31Å; K847-I850 PolarHBondContact O-N 3.33Å; I850-V853 PolarHBondContact O-N 3.17Å; I850-L854 HydrophobicContact CG2-CD1 4.39Å; I850-L854 VanDerWaalsContact O-CB 3.28Å; I850-L854 WeakPolarHBondContact O-CB 3.5Å; I850-L854 PolarHBondContact O-N 3.02Å
851F65.4Low66Low149 Ų14999.2 Ų99.265%0.65451%0.514SS*.Hα-helixtrans-61.1-50.4-175.8-144-93.7000114.6K847 L854 I855K847-F851 PolarHBondContact O-N 3.06Å; K847-F851 VanDerWaalsContact O-N 3.12Å; F851-L854 PolarHBondContact O-N 2.87Å; F851-I855 HydrophobicContact CD1-CD1 3.69Å; F851-I855 HydrophobicContact CD1-CG1 4.48Å; F851-I855 HydrophobicContact CE1-CD1 3.88Å; F851-I855 WeakPolarHBondContact O-CG1 3.27Å; F851-I855 PolarHBondContact O-N 3.48Å
852P69.8Low67.8Low71 Ų71102.7 Ų102.746%0.46153%0.526SS..Hα-helixtrans-68.6-33.8177.225.1-32.7000112.8T848 L849 L854 I855 L856T848-P852 WeakPolarHBondContact O-CD 3.3Å; T848-P852 WeakPolarHBondContact O-CG 3.4Å; L849-P852 WeakPolarHBondContact O-CD 3.39Å; L849-P852 WeakPolarHBondContact O-CG 3.46Å; P852-L854 VanDerWaalsContact C-N 3.32Å; P852-I855 PolarHBondContact O-N 3.37Å; P852-L856 WeakPolarHBondContact O-CB 3.25Å; P852-L856 PolarHBondContact O-N 2.93Å
853V76.3Confident69.4Low77 Ų77103.3 Ų103.347%0.46753%0.526SS..Hα-helixtrans-64.9-39.5174.8172.70000110.7L849 I850 L856 C857L849-V853 VanDerWaalsContact O-CG2 3.22Å; L849-V853 WeakPolarHBondContact O-CG2 3.42Å; L849-V853 PolarHBondContact O-N 3.28Å; I850-V853 PolarHBondContact O-N 3.17Å; V853-L856 PolarHBondContact O-N 3.34Å; V853-C857 WeakPolarHBondContact O-CB 3.43Å; V853-C857 PolarHBondContact O-N 3.11Å; V853-C857 PolarHBondContact O-SG 3.15Å; V853-C857 VanDerWaalsContact O-SG 3.32Å
854L75.6Confident70.8Confident101 Ų101106.3 Ų106.353%0.52954%0.538SS..Hα-helixtrans-68.9-38.5179-151.4142.5000111.5I850 F851 P852 C857 I858I850-L854 HydrophobicContact CG2-CD1 4.39Å; I850-L854 VanDerWaalsContact O-CB 3.28Å; I850-L854 WeakPolarHBondContact O-CB 3.5Å; I850-L854 PolarHBondContact O-N 3.02Å; F851-L854 PolarHBondContact O-N 2.87Å; P852-L854 VanDerWaalsContact C-N 3.32Å; L854-C857 PolarHBondContact O-N 3.4Å; L854-I858 HydrophobicContact CD2-CD1 3.74Å; L854-I858 HydrophobicContact CD2-CG1 4.48Å; L854-I858 VanDerWaalsContact O-CG1 3.28Å; L854-I858 WeakPolarHBondContact O-CG1 3.4Å; L854-I858 PolarHBondContact O-N 3.36Å
855I79.9Confident72.4Confident96 Ų96105.9 Ų105.949%0.49254%0.539SS..Hα-helixtrans-62.7-43.6170.9-69.7165.9000111.1F851 P852 I858 A859F851-I855 HydrophobicContact CD1-CD1 3.69Å; F851-I855 HydrophobicContact CD1-CG1 4.48Å; F851-I855 HydrophobicContact CE1-CD1 3.88Å; F851-I855 WeakPolarHBondContact O-CG1 3.27Å; F851-I855 PolarHBondContact O-N 3.48Å; P852-I855 PolarHBondContact O-N 3.37Å; I855-I858 PolarHBondContact O-N 3.37Å; I855-A859 WeakPolarHBondContact O-CB 3.47Å; I855-A859 PolarHBondContact O-N 2.9Å
856L82.5Confident73.8Confident111 Ų111104.8 Ų104.858%0.58154%0.536SS*.Hα-helixtrans-63.3-43.4177.7-161.995.5000111.3P852 V853 I858 A859 I860P852-L856 WeakPolarHBondContact O-CB 3.25Å; P852-L856 PolarHBondContact O-N 2.93Å; V853-L856 PolarHBondContact O-N 3.34Å; L856-I858 PolarHBondContact O-N 3.44Å; L856-A859 PolarHBondContact O-N 3.18Å; L856-I860 HydrophobicContact CD2-CD1 3.91Å; L856-I860 HydrophobicContact CG-CD1 4.05Å; L856-I860 VanDerWaalsContact O-CG1 3.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.29Å; L856-I860 PolarHBondContact O-N 3.01Å
857C81.3Confident75Confident63 Ų63103.1 Ų103.143%0.42653%0.53SS..Hα-helixtrans-61.3-43.4175.6-74.30000111.9V853 L854 A859 I860 I861V853-C857 WeakPolarHBondContact O-CB 3.43Å; V853-C857 PolarHBondContact O-N 3.11Å; V853-C857 PolarHBondContact O-SG 3.15Å; V853-C857 VanDerWaalsContact O-SG 3.32Å; L854-C857 PolarHBondContact O-N 3.4Å; C857-A859 VanDerWaalsContact C-N 3.34Å; C857-A859 PolarHBondContact O-N 3.31Å; C857-I860 PolarHBondContact O-N 3.42Å; C857-I861 WeakPolarHBondContact O-CD1 3.1Å; C857-I861 VanDerWaalsContact O-CG1 3.23Å; C857-I861 WeakPolarHBondContact O-CG1 3.24Å; C857-I861 PolarHBondContact O-N 3.27Å
858I85.9Confident76.5Confident90 Ų90100.8 Ų100.846%0.46253%0.525SS..Hα-helixtrans-62.2-43175.7-69.4166.2000110.7L854 I855 L856 I861 F862L854-I858 HydrophobicContact CD2-CD1 3.74Å; L854-I858 HydrophobicContact CD2-CG1 4.48Å; L854-I858 VanDerWaalsContact O-CG1 3.28Å; L854-I858 WeakPolarHBondContact O-CG1 3.4Å; L854-I858 PolarHBondContact O-N 3.36Å; I855-I858 PolarHBondContact O-N 3.37Å; L856-I858 PolarHBondContact O-N 3.44Å; I858-I861 PolarHBondContact O-N 3.25Å; I858-F862 HydrophobicContact CG2-CD2 4.48Å; I858-F862 PolarHBondContact O-N 3.08Å
859A82.5Confident77.4Confident50 Ų50101 Ų10141%0.41352%0.523SS..Hα-helixtrans-63.3-42.317800000112.3I855 L856 C857 F862 Q863I855-A859 WeakPolarHBondContact O-CB 3.47Å; I855-A859 PolarHBondContact O-N 2.9Å; L856-A859 PolarHBondContact O-N 3.18Å; C857-A859 VanDerWaalsContact C-N 3.34Å; C857-A859 PolarHBondContact O-N 3.31Å; A859-F862 PolarHBondContact O-N 2.99Å; A859-Q863 PolarHBondContact O-N 2.91Å
860I86.6Confident78.1Confident78 Ų7899.1 Ų99.140%0.451%0.513SS..Hα-helixtrans-64.8-42.2176.8-69.2163.7000110.9L856 C857 F862 Q863 L864L856-I860 HydrophobicContact CD2-CD1 3.91Å; L856-I860 HydrophobicContact CG-CD1 4.05Å; L856-I860 VanDerWaalsContact O-CG1 3.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.29Å; L856-I860 PolarHBondContact O-N 3.01Å; C857-I860 PolarHBondContact O-N 3.42Å; I860-F862 VanDerWaalsContact C-N 3.33Å; I860-F862 PolarHBondContact O-N 2.94Å; I860-Q863 PolarHBondContact O-N 3.14Å; I860-L864 HydrophobicContact CG2-CD1 4.12Å; I860-L864 WeakPolarHBondContact O-CB 3.41Å; I860-L864 PolarHBondContact O-N 2.86Å
861I85.3Confident78.3Confident105 Ų105101.5 Ų101.554%0.53852%0.52SS..Hα-helixtrans-62-43.5176-69.1164.3000110.3C857 I858 Q863 L864 V865C857-I861 WeakPolarHBondContact O-CD1 3.1Å; C857-I861 VanDerWaalsContact O-CG1 3.23Å; C857-I861 WeakPolarHBondContact O-CG1 3.24Å; C857-I861 PolarHBondContact O-N 3.27Å; I858-I861 PolarHBondContact O-N 3.25Å; I861-Q863 PolarHBondContact O-N 3.17Å; I861-L864 PolarHBondContact O-N 2.65Å; I861-V865 HydrophobicContact CG2-CG2 4.47Å; I861-V865 VanDerWaalsContact O-CG2 3.31Å; I861-V865 WeakPolarHBondContact O-CG2 3.17Å; I861-V865 PolarHBondContact O-N 3.03Å
862F82.6Confident78.2Confident156 Ų156102.2 Ų102.268%0.68452%0.522SS*.Hα-helixtrans-62.2-42.8176.4-114-87.8000112.3I858 A859 I860 V865 Y866I858-F862 HydrophobicContact CG2-CD2 4.48Å; I858-F862 PolarHBondContact O-N 3.08Å; A859-F862 PolarHBondContact O-N 2.99Å; I860-F862 VanDerWaalsContact C-N 3.33Å; I860-F862 PolarHBondContact O-N 2.94Å; F862-V865 PolarHBondContact O-N 2.92Å; F862-Y866 WeakPolarHBondContact O-CB 3.49Å; F862-Y866 PolarHBondContact O-N 3.23Å
863Q80.8Confident77.9Confident130 Ų130105 Ų10561%0.60754%0.538SS*.Hα-helixtrans-62.8-42.7174.8-96.2-176.2-30.600112.3A859 I860 I861 Y866 I867A859-Q863 PolarHBondContact O-N 2.91Å; I860-Q863 PolarHBondContact O-N 3.14Å; I861-Q863 PolarHBondContact O-N 3.17Å; Q863-Y866 PolarHBondContact O-N 3.45Å; Q863-I867 WeakPolarHBondContact O-CB 3.28Å; Q863-I867 VanDerWaalsContact O-CG1 3.26Å; Q863-I867 WeakPolarHBondContact O-CG1 3.49Å; Q863-I867 PolarHBondContact O-N 3.34Å
864L80.2Confident76.6Confident107 Ų107109.5 Ų109.556%0.5656%0.557SS**Hα-helixtrans-63-42.3176.4-97158.3000112.1I860 I861 Y866 I867 N868I860-L864 HydrophobicContact CG2-CD1 4.12Å; I860-L864 WeakPolarHBondContact O-CB 3.41Å; I860-L864 PolarHBondContact O-N 2.86Å; I861-L864 PolarHBondContact O-N 2.65Å; L864-Y866 VanDerWaalsContact C-N 3.32Å; L864-Y866 PolarHBondContact O-N 3.49Å; L864-I867 PolarHBondContact O-N 2.91Å; L864-N868 VanDerWaalsContact O-CB 3.28Å; L864-N868 WeakPolarHBondContact O-CB 3.47Å; L864-N868 PolarHBondContact O-N 3.11Å
865V81.4Confident76.7Confident75 Ų75109.9 Ų109.946%0.45556%0.559SS.*Hα-helixtrans-63.1-40.9174.5171.70000110.8I861 F862 N868 N869I861-V865 HydrophobicContact CG2-CG2 4.47Å; I861-V865 VanDerWaalsContact O-CG2 3.31Å; I861-V865 WeakPolarHBondContact O-CG2 3.17Å; I861-V865 PolarHBondContact O-N 3.03Å; F862-V865 PolarHBondContact O-N 2.92Å; V865-N868 PolarHBondContact O-N 3.31Å; V865-N869 WeakPolarHBondContact O-CB 3.39Å; V865-N869 PolarHBondContact O-N 3.4Å
866Y77Confident76.5Confident162 Ų162110.6 Ų110.664%0.63556%0.562SS**Hα-helixtrans-65.2-44.8178.1-159.9-97.6000112F862 Q863 L864 N869 I870F862-Y866 WeakPolarHBondContact O-CB 3.49Å; F862-Y866 PolarHBondContact O-N 3.23Å; Q863-Y866 PolarHBondContact O-N 3.45Å; L864-Y866 VanDerWaalsContact C-N 3.32Å; L864-Y866 PolarHBondContact O-N 3.49Å; Y866-N869 PolarHBondContact O-N 3.46Å; Y866-I870 HydrophobicContact CD1-CD1 3.66Å; Y866-I870 HydrophobicContact CD1-CG1 4.42Å; Y866-I870 HydrophobicContact CE1-CD1 3.61Å; Y866-I870 HydrophobicContact CE1-CG1 4.37Å; Y866-I870 WeakPolarHBondContact O-CG1 3.33Å; Y866-I870 PolarHBondContact O-N 3.3Å
867I78.2Confident76.2Confident93 Ų93110.6 Ų110.648%0.47756%0.561SS.*Hα-helixtrans-63-42.7175.7-68.3163.2000110.8Q863 L864 N869 I870 F871Q863-I867 WeakPolarHBondContact O-CB 3.28Å; Q863-I867 VanDerWaalsContact O-CG1 3.26Å; Q863-I867 WeakPolarHBondContact O-CG1 3.49Å; Q863-I867 PolarHBondContact O-N 3.34Å; L864-I867 PolarHBondContact O-N 2.91Å; I867-N869 VanDerWaalsContact C-N 3.31Å; I867-N869 PolarHBondContact O-N 3.18Å; I867-I870 PolarHBondContact O-N 3.38Å; I867-F871 HydrophobicContact CG2-CD2 4.32Å; I867-F871 PolarHBondContact O-N 3.33Å
868N78.1Confident75.9Confident99 Ų99113.4 Ų113.453%0.52957%0.569SS.*Hα-helixtrans-66.4-34.3178.5-162.821.5000112.1L864 V865 F871 K872L864-N868 VanDerWaalsContact O-CB 3.28Å; L864-N868 WeakPolarHBondContact O-CB 3.47Å; L864-N868 PolarHBondContact O-N 3.11Å; V865-N868 PolarHBondContact O-N 3.31Å; N868-F871 PolarHBondContact O-N 3Å; N868-K872 PolarHBondContact O-N 3.26Å; N868-K872 VanDerWaalsContact O-N 3.11Å
869N73.3Confident75.3Confident90 Ų90114.9 Ų114.948%0.48158%0.576SS.*Hα-helixtrans-68.6-39.4172.3-80.9-16.4000112.1V865 Y866 I867 F871 K872 V873V865-N869 WeakPolarHBondContact O-CB 3.39Å; V865-N869 PolarHBondContact O-N 3.4Å; Y866-N869 PolarHBondContact O-N 3.46Å; I867-N869 VanDerWaalsContact C-N 3.31Å; I867-N869 PolarHBondContact O-N 3.18Å; N869-F871 VanDerWaalsContact C-N 3.34Å; N869-K872 PolarHBondContact O-N 3.39Å; N869-V873 WeakPolarHBondContact O-CG2 3.38Å; N869-V873 PolarHBondContact O-N 3.2Å
870I72.8Confident74.8Confident78 Ų78119.2 Ų119.240%0.459%0.587SS.*Hα-helixtrans-61.9-43.6173.1-69.8167.1000110.6Y866 I867 K872 V873 I874Y866-I870 HydrophobicContact CD1-CD1 3.66Å; Y866-I870 HydrophobicContact CD1-CG1 4.42Å; Y866-I870 HydrophobicContact CE1-CD1 3.61Å; Y866-I870 HydrophobicContact CE1-CG1 4.37Å; Y866-I870 WeakPolarHBondContact O-CG1 3.33Å; Y866-I870 PolarHBondContact O-N 3.3Å; I867-I870 PolarHBondContact O-N 3.38Å; I870-K872 PolarHBondContact O-N 2.79Å; I870-V873 PolarHBondContact O-N 3.04Å; I870-I874 HydrophobicContact CG2-CD1 3.74Å; I870-I874 HydrophobicContact CG2-CG1 4.31Å; I870-I874 WeakPolarHBondContact O-CG1 3.49Å; I870-I874 PolarHBondContact O-N 3.23Å
871F69.1Low73.9Confident150 Ų150122.1 Ų122.166%0.65860%0.6SS**Hα-helixtrans-65.7-19176.9-111.3-79.1000114.5I867 N868 N869I867-F871 HydrophobicContact CG2-CD2 4.32Å; I867-F871 PolarHBondContact O-N 3.33Å; N868-F871 PolarHBondContact O-N 3Å; N869-F871 VanDerWaalsContact C-N 3.34Å
872K62.8Low73.1Confident164 Ų164123.5 Ų123.571%0.71361%0.605SS**Hα-helixtrans-85.7-20.9170.7-90.6-175.8174.3179.80113.4N868 N869 I870N868-K872 PolarHBondContact O-N 3.26Å; N868-K872 VanDerWaalsContact O-N 3.11Å; N869-K872 PolarHBondContact O-N 3.39Å; I870-K872 PolarHBondContact O-N 2.79Å
873V63.6Low72.3Confident131 Ų131120.8 Ų120.879%0.79460%0.598SS**Hα-helixtrans-89.2-33.9179.8172.20000111N869 I870N869-V873 WeakPolarHBondContact O-CG2 3.38Å; N869-V873 PolarHBondContact O-N 3.2Å; I870-V873 PolarHBondContact O-N 3.04Å
874I50Low71.5Confident170 Ų170119.9 Ų119.987%0.87260%0.598SS**  trans-70.50164.2-60.6169.6000108.6I870I870-I874 HydrophobicContact CG2-CD1 3.74Å; I870-I874 HydrophobicContact CG2-CG1 4.31Å; I870-I874 WeakPolarHBondContact O-CG1 3.49Å; I870-I874 PolarHBondContact O-N 3.23Å

Retrieved 874 of 874 residues in 1183.6 ms (Link to these results)

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