A0A5K4EVL6_SCHMA Loading...

Putative serine-rich repeat protein

AlphaFold DB , UniProt , Accession A0A5K4EVL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 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
1M24.8Very low62.1Low239 Ų23974.6 Ų74.6100%1.17745%0.452SS*.  0103.40-65.1174.478.600106.2
2S26.9Very low64.4Low120 Ų12068.5 Ų68.584%0.83942%0.415SS*.  trans-88.1104.3173.149.80000107.8G4S2-G4 PolarHBondContact O-N 3.23Å
3T31.3Very low66.2Low137 Ų13763.2 Ų63.284%0.8438%0.383SS*.  trans-50.8124.5168.941.50000110.1G5T3-G5 PolarHBondContact O-N 3.22Å; T3-G5 VanDerWaalsContact O-N 3.12Å
4G43.8Very low67.4Low79 Ų7958.7 Ų58.781%0.81436%0.356SS*.  trans-67102-164.200000114.6S2S2-G4 PolarHBondContact O-N 3.23Å
5G55.8Low68.3Low42 Ų4254.9 Ų54.943%0.43333%0.332SS..PPolyproline II helixtrans-92.3153.5166.300000111.5T3 H7T3-G5 PolarHBondContact O-N 3.22Å; T3-G5 VanDerWaalsContact O-N 3.12Å; G5-H7 PolarHBondContact O-CD2 2.88Å; G5-H7 PolarHBondContact O-N 3.45Å; G5-H7 PolarHBondContact O-NE2 3.47Å
6Y68.7Low69.1Low113 Ų11352.3 Ų52.344%0.44332%0.315SS..PPolyproline II helixtrans-66.4131.9170.7-164.2-109.7000109.8N54 F80 S81 A83 S84Y6-N54 PolarHBondContact O-ND2 3.27Å; Y6-F80 VanDerWaalsContact CE2-O 3.26Å; Y6-F80 WeakPolarHBondContact CE2-O 3.28Å; Y6-F80 PolarHBondContact OH-O 3.32Å; Y6-S81 WeakPolarHBondContact CD2-O 3.44Å; Y6-S81 WeakPolarHBondContact CE2-O 3.49Å; Y6-A83 VanDerWaalsContact CZ-C 3.42Å; Y6-A83 PolarHBondContact OH-O 3.38Å; Y6-S84 VanDerWaalsContact OH-CA 3.24Å; Y6-S84 WeakPolarHBondContact OH-CA 3.39Å; Y6-S84 PolarHBondContact OH-N 3.07Å
7H79.5Confident69.9Low34 Ų3449.2 Ų49.216%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-95.9149.5-178.9-59.6-86.4000110.5G5 A9 N54 L56 Q82 A83 S84G5-H7 PolarHBondContact O-CD2 2.88Å; G5-H7 PolarHBondContact O-N 3.45Å; G5-H7 PolarHBondContact O-NE2 3.47Å; H7-A9 VanDerWaalsContact C-N 3.34Å; H7-N54 PolarHBondContact CE1-OD1 3.44Å; H7-N54 PolarHBondContact ND1-ND2 3.49Å; H7-N54 PolarHBondContact ND1-OD1 2.98Å; H7-L56 HydrophobicContact CB-CB 4.18Å; H7-Q82 WeakPolarHBondContact CB-O 3.43Å; H7-Q82 PolarHBondContact CD2-O 2.7Å; H7-Q82 PolarHBondContact N-O 3.4Å; H7-A83 HydrophobicContact CB-CB 4.13Å; H7-A83 WeakPolarHBondContact O-CA 3.4Å; H7-S84 PolarHBondContact O-N 2.83Å; H7-S84 VanDerWaalsContact O-N 3.11Å
8H83.9Confident70.5Confident54 Ų5446.5 Ų46.525%0.2528%0.28CS..EExtended strand (participates in β ladder)trans-66.4-43.2173-64.781.3000109.8N52 L53 N54 S84 R85 I171H8-N52 PolarHBondContact CE1-O 3.12Å; H8-L53 HydrophobicContact CB-CD2 4.31Å; H8-N54 WeakPolarHBondContact CB-O 3.38Å; H8-N54 PolarHBondContact N-O 3.49Å; H8-N54 WeakPolarHBondContact ND1-CB 3.41Å; H8-N54 PolarHBondContact ND1-N 3.12Å; H8-S84 WeakPolarHBondContact O-CB 3.49Å; H8-S84 PolarHBondContact O-N 3.21Å; H8-S84 PolarHBondContact O-OG 3.42Å; H8-R85 PolarHBondContact O-N 2.84Å; H8-R85 VanDerWaalsContact O-N 3.14Å; H8-I171 HydrophobicContact CB-CG2 3.69Å
9A88.2Confident70.9Confident0 Ų046.3 Ų46.30%027%0.274CS..EExtended strand (participates in β ladder)trans-141.7152.4176.600000112.3H7 N54 V55 L56 R85 V87 I171H7-A9 VanDerWaalsContact C-N 3.34Å; A9-N54 PolarHBondContact N-O 3.34Å; A9-V55 HydrophobicContact CB-CG1 4.36Å; A9-V55 HydrophobicContact CB-CG2 4.49Å; A9-V55 CarbonylContact O-C 3.49Å; A9-V55 WeakPolarHBondContact O-CA 3.4Å; A9-L56 PolarHBondContact O-N 3.31Å; A9-R85 CarbonylContact C-O 3.59Å; A9-R85 VanDerWaalsContact CA-O 3.22Å; A9-R85 WeakPolarHBondContact CA-O 3.33Å; A9-R85 HydrophobicContact CB-CB 4.23Å; A9-V87 HydrophobicContact CB-CG2 4.03Å; A9-I171 HydrophobicContact CB-CD1 4.04Å; A9-I171 HydrophobicContact CB-CG1 3.95Å; A9-I171 HydrophobicContact CB-CG2 3.9Å
10A88.9Confident71.2Confident1 Ų146.3 Ų46.31%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-116128165.200000109.9L56 L58 A83 R85 I86 V87A10-L56 CarbonylContact C-O 3.56Å; A10-L56 VanDerWaalsContact CA-O 3.3Å; A10-L56 WeakPolarHBondContact CA-O 3.48Å; A10-L56 HydrophobicContact CB-CB 4.29Å; A10-L58 HydrophobicContact CB-CD1 4.31Å; A10-A83 HydrophobicContact CB-CB 3.65Å; A10-R85 PolarHBondContact N-O 3.04Å; A10-I86 HydrophobicContact CB-CD1 3.93Å; A10-I86 WeakPolarHBondContact O-CA 3.25Å; A10-V87 PolarHBondContact O-N 3.25Å
11I90.8Very high71.2Confident2 Ų245.6 Ų45.61%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-90.1124175.7-50.7-172000109A39 L42 V55 L56 L58 V87 F89I11-A39 HydrophobicContact CG2-CB 4.04Å; I11-L42 HydrophobicContact CD1-CB 4.23Å; I11-L42 HydrophobicContact CD1-CD2 3.97Å; I11-L42 HydrophobicContact CD1-CG 3.87Å; I11-V55 HydrophobicContact CD1-CG1 3.84Å; I11-V55 HydrophobicContact CG1-CG1 3.68Å; I11-L56 PolarHBondContact N-O 2.85Å; I11-L58 PolarHBondContact O-N 3.35Å; I11-V87 CarbonylContact C-O 3.54Å; I11-V87 WeakPolarHBondContact CA-O 3.49Å; I11-V87 HydrophobicContact CG1-CB 4.14Å; I11-V87 HydrophobicContact CG1-CG1 4.45Å; I11-F89 HydrophobicContact CG2-CB 4.04Å
12L90.1Very high73.4Confident1 Ų138.2 Ų38.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-95.4124.6171.4-63.3-176000109.6F16 L58 W69 L79 I86 V87 L88 F89L12-F16 HydrophobicContact CB-CB 4.47Å; L12-F16 HydrophobicContact CD2-CD1 4.25Å; L12-F16 HydrophobicContact CD2-CD2 4.33Å; L12-F16 HydrophobicContact CD2-CG 4.15Å; L12-L58 HydrophobicContact CD2-CB 4.11Å; L12-L58 HydrophobicContact CD2-CD1 3.46Å; L12-L58 VanDerWaalsContact CD2-CD1 3.46Å; L12-L58 HydrophobicContact CD2-CG 4.34Å; L12-W69 HydrophobicContact CD1-CH2 4.11Å; L12-W69 HydrophobicContact CD1-CZ2 3.89Å; L12-L79 HydrophobicContact CD1-CD1 4.19Å; L12-L79 HydrophobicContact CD2-CD2 4.04Å; L12-I86 HydrophobicContact CD1-CG2 3.45Å; L12-I86 VanDerWaalsContact CD1-CG2 3.45Å; L12-I86 HydrophobicContact CG-CG2 3.76Å; L12-V87 PolarHBondContact N-O 3.27Å; L12-L88 HydrophobicContact CB-CD2 4.16Å; L12-L88 HydrophobicContact CD1-CD2 3.81Å; L12-L88 HydrophobicContact CG-CD2 4.44Å; L12-F89 WeakPolarHBondContact O-CB 3.32Å; L12-F89 PolarHBondContact O-N 2.84Å
13S87.4Confident75.1Confident0 Ų037.9 Ų37.90%023%0.226CC..PPolyproline II helixtrans-72.6163.8173.675.90000111.6A15 F16 E36S13-A15 PolarHBondContact O-N 3.03Å; S13-A15 VanDerWaalsContact O-N 3.14Å; S13-F16 PolarHBondContact O-N 3.17Å; S13-F16 VanDerWaalsContact O-N 3.08Å; S13-F16 WeakPolarHBondContact OG-CD2 3.49Å; S13-E36 WeakPolarHBondContact OG-CG 3.38Å
14P83.7Confident76.5Confident0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-59.1-27.7177.9-28.339.9000114.3F16 Y17 A18 Y32 H35 F89 P91P14-F16 PolarHBondContact O-N 3.13Å; P14-Y17 VanDerWaalsContact CA-CE1 3.46Å; P14-Y17 VanDerWaalsContact CA-CZ 3.41Å; P14-Y17 HydrophobicContact CB-CE1 4.21Å; P14-Y17 HydrophobicContact CB-CE2 4.14Å; P14-Y17 WeakPolarHBondContact CB-OH 3.46Å; P14-Y17 HydrophobicContact CG-CE1 4.49Å; P14-Y17 WeakPolarHBondContact CG-OH 3.48Å; P14-Y17 PolarHBondContact O-N 3.2Å; P14-A18 WeakPolarHBondContact O-CB 3.26Å; P14-A18 PolarHBondContact O-N 3.18Å; P14-Y32 HydrophobicContact CB-CD1 4.47Å; P14-H35 HydrophobicContact CB-CB 4.37Å; P14-H35 HydrophobicContact CG-CB 3.83Å; P14-F89 HydrophobicContact CG-CD1 3.92Å; P14-F89 WeakPolarHBondContact CG-O 3.43Å; P14-P91 HydrophobicContact CB-CG 4.4Å; P14-P91 HydrophobicContact CG-CG 3.77Å
15A80.6Confident77.4Confident1 Ų137.6 Ų37.61%0.00820%0.2CC..Hα-helixtrans-58.6-31.4177.500000112.6S13 R19 E36S13-A15 PolarHBondContact O-N 3.03Å; S13-A15 VanDerWaalsContact O-N 3.14Å; A15-R19 WeakPolarHBondContact O-CB 3.35Å; A15-R19 PolarHBondContact O-N 3.09Å; A15-E36 HydrophobicContact CB-CG 4.26Å; A15-E36 VanDerWaalsContact CB-OE1 3.29Å; A15-E36 WeakPolarHBondContact CB-OE1 3.31Å
16F80.4Confident77.7Confident13 Ų1336 Ų366%0.05718%0.182CC..Hα-helixtrans-66.7-45.8-179.4-78.7-90.5000112.9L12 S13 P14 L58 N60 M64L12-F16 HydrophobicContact CB-CB 4.47Å; L12-F16 HydrophobicContact CD2-CD1 4.25Å; L12-F16 HydrophobicContact CD2-CD2 4.33Å; L12-F16 HydrophobicContact CD2-CG 4.15Å; S13-F16 PolarHBondContact O-N 3.17Å; S13-F16 VanDerWaalsContact O-N 3.08Å; S13-F16 WeakPolarHBondContact OG-CD2 3.49Å; P14-F16 PolarHBondContact O-N 3.13Å; F16-L58 HydrophobicContact CE2-CB 4.01Å; F16-L58 WeakPolarHBondContact CE2-O 3.48Å; F16-L58 HydrophobicContact CZ-CB 3.76Å; F16-N60 WeakPolarHBondContact CZ-O 3.3Å; F16-M64 HydrophobicContact CD1-CB 4.3Å; F16-M64 HydrophobicContact CD1-CG 4.36Å; F16-M64 HydrophobicContact CD1-SD 3.84Å; F16-M64 HydrophobicContact CE1-CB 3.91Å; F16-M64 HydrophobicContact CE1-CG 3.65Å; F16-M64 HydrophobicContact CE1-SD 3.43Å; F16-M64 WeakPolarHBondContact CE1-SD 3.48Å; F16-M64 HydrophobicContact CZ-SD 4.49Å
17Y83.3Confident77.3Confident1 Ų131.3 Ų31.30%0.00417%0.165CC..Hα-helixtrans-90.6-26.7-178.358.9-107.5000112.6P14 R19 Q20 F89 A94 H97 F101P14-Y17 VanDerWaalsContact CA-CE1 3.46Å; P14-Y17 VanDerWaalsContact CA-CZ 3.41Å; P14-Y17 HydrophobicContact CB-CE1 4.21Å; P14-Y17 HydrophobicContact CB-CE2 4.14Å; P14-Y17 WeakPolarHBondContact CB-OH 3.46Å; P14-Y17 HydrophobicContact CG-CE1 4.49Å; P14-Y17 WeakPolarHBondContact CG-OH 3.48Å; P14-Y17 PolarHBondContact O-N 3.2Å; Y17-R19 PolarHBondContact O-N 3.23Å; Y17-Q20 WeakPolarHBondContact O-CB 3.3Å; Y17-Q20 PolarHBondContact O-N 3.12Å; Y17-Q20 VanDerWaalsContact O-N 3.12Å; Y17-F89 WeakPolarHBondContact CE1-O 3.03Å; Y17-F89 PolarHBondContact OH-O 3.28Å; Y17-A94 HydrophobicContact CE2-CB 4.27Å; Y17-H97 HydrophobicContact CD2-CB 3.85Å; Y17-H97 HydrophobicContact CE2-CB 3.71Å; Y17-F101 VanDerWaalsContact CB-CG 3.45Å; Y17-F101 HydrophobicContact CG-CG 4.37Å
18A81.7Confident76.3Confident0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-62.1-33173.200000111.5P14 Q20 C21 Y22 I26 Y32 H97P14-A18 WeakPolarHBondContact O-CB 3.26Å; P14-A18 PolarHBondContact O-N 3.18Å; A18-Q20 PolarHBondContact O-N 3.25Å; A18-C21 WeakPolarHBondContact O-CA 3.37Å; A18-C21 VanDerWaalsContact O-CB 3.31Å; A18-C21 WeakPolarHBondContact O-CB 3.26Å; A18-C21 PolarHBondContact O-N 3.39Å; A18-Y22 PolarHBondContact O-N 2.95Å; A18-I26 HydrophobicContact CB-CD1 3.7Å; A18-I26 WeakPolarHBondContact O-CD1 3.38Å; A18-Y32 HydrophobicContact CB-CE1 3.65Å; A18-H97 HydrophobicContact CB-CB 4.47Å
19R77.1Confident75.5Confident42 Ų4236.4 Ų36.416%0.15820%0.196CC..Hα-helixtrans-64.4-18.6176.9-164.8174.8-170.6-155.1-8.6113.5A15 Y17 C21 Y22 N25 I26 S61 M64 N66A15-R19 WeakPolarHBondContact O-CB 3.35Å; A15-R19 PolarHBondContact O-N 3.09Å; Y17-R19 PolarHBondContact O-N 3.23Å; R19-C21 VanDerWaalsContact C-N 3.34Å; R19-Y22 VanDerWaalsContact O-O 3.07Å; R19-N25 PolarHBondContact NH2-OD1 3.37Å; R19-I26 HydrophobicContact CB-CD1 4.41Å; R19-S61 PolarHBondContact NH1-O 2.92Å; R19-M64 PolarHBondContact NH1-O 2.86Å; R19-M64 VanDerWaalsContact NH1-O 3.07Å; R19-N66 WeakPolarHBondContact CD-OD1 3.29Å; R19-N66 PolarHBondContact NE-OD1 3.45Å; R19-N66 PolarHBondContact NH1-OD1 3.24Å; R19-N66 PolarHBondContact NH2-OD1 3.31Å
20Q76.2Confident74.6Confident47 Ų4741 Ų4122%0.2223%0.228CC..Hα-helixtrans-77.8-25171.1-59.2-61.6-36.100111.7Y17 A18 N66 Y100 F101Y17-Q20 WeakPolarHBondContact O-CB 3.3Å; Y17-Q20 PolarHBondContact O-N 3.12Å; Y17-Q20 VanDerWaalsContact O-N 3.12Å; A18-Q20 PolarHBondContact O-N 3.25Å; Q20-N66 PolarHBondContact NE2-O 2.87Å; Q20-Y100 WeakPolarHBondContact O-CE1 3.43Å; Q20-F101 HydrophobicContact CB-CD2 4.36Å; Q20-F101 HydrophobicContact CG-CD2 4.07Å; Q20-F101 HydrophobicContact CG-CE2 4.29Å
21C72.9Confident73.7Confident32 Ų3244 Ų4422%0.21625%0.249CC..Hα-helixtrans-87.6-39.5-178.1-50.40000112A18 R19 H97 Y100A18-C21 WeakPolarHBondContact O-CA 3.37Å; A18-C21 VanDerWaalsContact O-CB 3.31Å; A18-C21 WeakPolarHBondContact O-CB 3.26Å; A18-C21 PolarHBondContact O-N 3.39Å; R19-C21 VanDerWaalsContact C-N 3.34Å; C21-H97 PolarHBondContact SG-O 3.12Å; C21-Y100 HydrophobicContact CB-CD1 4.05Å; C21-Y100 HydrophobicContact CB-CG 4.27Å; C21-Y100 WeakPolarHBondContact SG-CD1 3.28Å
22Y69.8Low73Confident84 Ų8444.9 Ų44.933%0.32925%0.252SS..  trans-115.9130179.9-46.5-82.1000110.4A18 R19 D24 I26 H97A18-Y22 PolarHBondContact O-N 2.95Å; R19-Y22 VanDerWaalsContact O-O 3.07Å; Y22-D24 PolarHBondContact O-N 3.26Å; Y22-I26 HydrophobicContact CD2-CD1 3.62Å; Y22-I26 HydrophobicContact CD2-CG1 4.5Å; Y22-I26 HydrophobicContact CG-CD1 4.22Å; Y22-H97 AromaticContact CE2-CD2 3.49Å; Y22-H97 VanDerWaalsContact CE2-CD2 3.49Å; Y22-H97 WeakPolarHBondContact CE2-CD2 3.04Å; Y22-H97 AromaticContact CE2-NE2 3.31Å; Y22-H97 VanDerWaalsContact CE2-NE2 3.31Å; Y22-H97 WeakPolarHBondContact CE2-NE2 3.34Å; Y22-H97 AromaticContact CZ-CD2 3.87Å; Y22-H97 AromaticContact CZ-NE2 3.63Å; Y22-H97 PolarHBondContact OH-CD2 2.94Å; Y22-H97 PolarHBondContact OH-NE2 3.03Å
23S62.1Low72.2Confident113 Ų11352.3 Ų52.379%0.7928%0.28SS*.SBendtrans-63.8-20.7177.249.90000113.6
24D61.4Low71.8Confident117 Ų11760.1 Ų60.163%0.62631%0.314SS*.SBendtrans-71.3154.2-175.1-62.7-20.3000111.2Y22 I26Y22-D24 PolarHBondContact O-N 3.26Å; D24-I26 PolarHBondContact O-N 3.5Å
25N61.8Low71.7Confident92 Ų9261 Ų6149%0.49232%0.318SS..  trans-69.877.9172.3-94.4-20000109.8R19 S27 N28R19-N25 PolarHBondContact NH2-OD1 3.37Å; N25-S27 PolarHBondContact O-N 3.16Å; N25-S27 VanDerWaalsContact O-N 3.12Å; N25-N28 WeakPolarHBondContact O-CB 3.39Å; N25-N28 PolarHBondContact O-N 3.17Å
26I63.6Low71.8Confident10 Ų1062 Ų625%0.05132%0.323CS..G310 helixtrans-54.5-28.6175.5-63176.6000111.5A18 R19 Y22 D24 N28 D29 Y32A18-I26 HydrophobicContact CB-CD1 3.7Å; A18-I26 WeakPolarHBondContact O-CD1 3.38Å; R19-I26 HydrophobicContact CB-CD1 4.41Å; Y22-I26 HydrophobicContact CD2-CD1 3.62Å; Y22-I26 HydrophobicContact CD2-CG1 4.5Å; Y22-I26 HydrophobicContact CG-CD1 4.22Å; D24-I26 PolarHBondContact O-N 3.5Å; I26-N28 PolarHBondContact O-N 3.12Å; I26-D29 WeakPolarHBondContact O-CB 3.32Å; I26-D29 PolarHBondContact O-N 3.22Å; I26-Y32 HydrophobicContact CG2-CD1 3.97Å; I26-Y32 HydrophobicContact CG2-CD2 3.2Å; I26-Y32 HydrophobicContact CG2-CE1 3.99Å; I26-Y32 HydrophobicContact CG2-CE2 3.23Å; I26-Y32 HydrophobicContact CG2-CG 3.58Å
27S58.9Low71.9Confident13 Ų1364.4 Ų64.49%0.09134%0.336CS..G310 helixtrans-53.4-28.6174.161.70000113.5N25 W33 S61 T62N25-S27 PolarHBondContact O-N 3.16Å; N25-S27 VanDerWaalsContact O-N 3.12Å; S27-W33 PolarHBondContact O-NE1 2.87Å; S27-S61 WeakPolarHBondContact CB-OG 3.46Å; S27-T62 WeakPolarHBondContact OG-CG2 3.42Å
28N60.2Low72Confident124 Ų12465.4 Ų65.466%0.66335%0.345SS*.G310 helixtrans-90.4-9.7179.4-63.5-10.1000112.4N25 I26 S30N25-N28 WeakPolarHBondContact O-CB 3.39Å; N25-N28 PolarHBondContact O-N 3.17Å; I26-N28 PolarHBondContact O-N 3.12Å; N28-S30 PolarHBondContact O-N 3.22Å
29D66.8Low72.3Confident71 Ų7165.4 Ų65.438%0.3835%0.345SS..  trans-78.4110.4175.2-174.41000109.8I26 S31 Y32I26-D29 WeakPolarHBondContact O-CB 3.32Å; I26-D29 PolarHBondContact O-N 3.22Å; D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 3.07Å; D29-S31 PolarHBondContact OD1-OG 2.88Å; D29-S31 VanDerWaalsContact OD1-OG 3.14Å; D29-S31 PolarHBondContact OD2-OG 3.15Å; D29-Y32 HydrophobicContact CB-CD2 4.07Å; D29-Y32 PolarHBondContact O-N 2.88Å; D29-Y32 VanDerWaalsContact O-N 3.12Å
30S68.6Low72.8Confident97 Ų9767.8 Ų67.868%0.67835%0.354SS*.Hα-helixtrans-53.8-19.2175.759.80000114.3N28 Y32 W33N28-S30 PolarHBondContact O-N 3.22Å; S30-Y32 VanDerWaalsContact C-N 3.33Å; S30-Y32 PolarHBondContact O-N 3.16Å; S30-W33 WeakPolarHBondContact O-CB 3.41Å; S30-W33 PolarHBondContact O-N 3.49Å
31S69.9Low73.3Confident63 Ų6369.9 Ų69.944%0.44136%0.363SS..Hα-helixtrans-63.4-37177.273.70000112.5D29 W33D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 3.07Å; D29-S31 PolarHBondContact OD1-OG 2.88Å; D29-S31 VanDerWaalsContact OD1-OG 3.14Å; D29-S31 PolarHBondContact OD2-OG 3.15Å; S31-W33 VanDerWaalsContact C-N 3.34Å; S31-W33 PolarHBondContact O-N 3.29Å
32Y76.1Confident74Confident22 Ų2268.4 Ų68.49%0.08635%0.353CS..Hα-helixtrans-80.3-15.4-178.1-71.4-92.6000113.4P14 A18 I26 D29 S30 K34 H35 E36 H97P14-Y32 HydrophobicContact CB-CD1 4.47Å; A18-Y32 HydrophobicContact CB-CE1 3.65Å; I26-Y32 HydrophobicContact CG2-CD1 3.97Å; I26-Y32 HydrophobicContact CG2-CD2 3.2Å; I26-Y32 HydrophobicContact CG2-CE1 3.99Å; I26-Y32 HydrophobicContact CG2-CE2 3.23Å; I26-Y32 HydrophobicContact CG2-CG 3.58Å; D29-Y32 HydrophobicContact CB-CD2 4.07Å; D29-Y32 PolarHBondContact O-N 2.88Å; D29-Y32 VanDerWaalsContact O-N 3.12Å; S30-Y32 VanDerWaalsContact C-N 3.33Å; S30-Y32 PolarHBondContact O-N 3.16Å; Y32-K34 PolarHBondContact O-N 2.78Å; Y32-H35 WeakPolarHBondContact O-CA 3.37Å; Y32-H35 WeakPolarHBondContact O-CB 3.34Å; Y32-H35 PolarHBondContact O-N 2.9Å; Y32-E36 PolarHBondContact O-N 3.35Å; Y32-H97 PolarHBondContact OH-CE1 3.03Å
33W73.6Confident74.9Confident157 Ų15764.6 Ų64.660%0.59534%0.339SS*.Hα-helixtrans-60.7-34.7178.3-74.752.1000111.6S27 S30 S31 H35 D37S27-W33 PolarHBondContact O-NE1 2.87Å; S30-W33 WeakPolarHBondContact O-CB 3.41Å; S30-W33 PolarHBondContact O-N 3.49Å; S31-W33 VanDerWaalsContact C-N 3.34Å; S31-W33 PolarHBondContact O-N 3.29Å; W33-H35 VanDerWaalsContact C-N 3.27Å; W33-H35 PolarHBondContact O-N 2.97Å; W33-D37 VanDerWaalsContact O-CB 3.25Å; W33-D37 WeakPolarHBondContact O-CB 3.4Å; W33-D37 PolarHBondContact O-N 3.09Å
34K79.4Confident76.1Confident163 Ų16362.1 Ų62.171%0.70932%0.317SS*.Hα-helixtrans-61.2-38.5174.1-175.5-173.9174.6-166.60111.6Y32 A38Y32-K34 PolarHBondContact O-N 2.78Å; K34-A38 WeakPolarHBondContact O-CB 3.29Å; K34-A38 PolarHBondContact O-N 2.84Å
35H81.9Confident77.4Confident19 Ų1959.1 Ų59.19%0.08830%0.299CS..Hα-helixtrans-79-38.1-177.9-65.7-47.8000112.4P14 Y32 W33 D37 A38 A39 P91 D93P14-H35 HydrophobicContact CB-CB 4.37Å; P14-H35 HydrophobicContact CG-CB 3.83Å; Y32-H35 WeakPolarHBondContact O-CA 3.37Å; Y32-H35 WeakPolarHBondContact O-CB 3.34Å; Y32-H35 PolarHBondContact O-N 2.9Å; W33-H35 VanDerWaalsContact C-N 3.27Å; W33-H35 PolarHBondContact O-N 2.97Å; H35-D37 VanDerWaalsContact C-N 3.27Å; H35-D37 PolarHBondContact O-N 3.44Å; H35-A38 PolarHBondContact O-N 2.84Å; H35-A39 PolarHBondContact O-N 3.01Å; H35-P91 VanDerWaalsContact CE1-CB 3.47Å; H35-P91 WeakPolarHBondContact CE1-CB 3.38Å; H35-D93 IonicContact CE1-OD1 3.16Å; H35-D93 PolarHBondContact CE1-OD1 2.95Å; H35-D93 IonicContact CE1-OD2 3.56Å; H35-D93 IonicContact NE2-OD1 3.03Å; H35-D93 PolarHBondContact NE2-OD1 3.16Å; H35-D93 IonicContact NE2-OD2 2.98Å; H35-D93 PolarHBondContact NE2-OD2 3.29Å
36E82.1Confident78.6Confident23 Ų2354.8 Ų54.811%0.10728%0.276CS..Hα-helixtrans-59.2-41.9168.1-74.8-178.9170.800111.1S13 A15 Y32 A39 R40 N59S13-E36 WeakPolarHBondContact OG-CG 3.38Å; A15-E36 HydrophobicContact CB-CG 4.26Å; A15-E36 VanDerWaalsContact CB-OE1 3.29Å; A15-E36 WeakPolarHBondContact CB-OE1 3.31Å; Y32-E36 PolarHBondContact O-N 3.35Å; E36-A39 PolarHBondContact O-N 3.19Å; E36-R40 WeakPolarHBondContact O-CB 3.29Å; E36-R40 PolarHBondContact O-N 3.44Å; E36-N59 VanDerWaalsContact CD-O 3.23Å
37D83.4Confident79.6Confident63 Ų6356.8 Ų56.834%0.33729%0.285SS..Hα-helixtrans-64.3-42.6176.7-156.844.1000112.1W33 H35 A39 R40 H41W33-D37 VanDerWaalsContact O-CB 3.25Å; W33-D37 WeakPolarHBondContact O-CB 3.4Å; W33-D37 PolarHBondContact O-N 3.09Å; H35-D37 VanDerWaalsContact C-N 3.27Å; H35-D37 PolarHBondContact O-N 3.44Å; D37-A39 PolarHBondContact O-N 2.97Å; D37-R40 WeakPolarHBondContact O-CB 3.27Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-CZ 3.19Å; D37-R40 IonicContact OD1-NE 3.05Å; D37-R40 PolarHBondContact OD1-NE 3.36Å; D37-R40 IonicContact OD1-NH2 2.58Å; D37-R40 PolarHBondContact OD1-NH2 3.29Å; D37-H41 WeakPolarHBondContact O-CB 3.48Å; D37-H41 PolarHBondContact O-CD2 3.26Å; D37-H41 PolarHBondContact O-N 3.26Å; D37-H41 IonicContact OD1-CD2 3.64Å; D37-H41 IonicContact OD1-NE2 2.86Å; D37-H41 IonicContact OD2-CD2 3.83Å; D37-H41 PolarHBondContact OD2-CD2 2.88Å; D37-H41 IonicContact OD2-NE2 2.94Å; D37-H41 PolarHBondContact OD2-NE2 2.85Å
38A84.9Confident80.9Confident22 Ų2262.5 Ų62.518%0.18232%0.315CS..Hα-helixtrans-61.4-43.2176.100000112.4K34 H35 R40 H41 L42 F89K34-A38 WeakPolarHBondContact O-CB 3.29Å; K34-A38 PolarHBondContact O-N 2.84Å; H35-A38 PolarHBondContact O-N 2.84Å; A38-R40 VanDerWaalsContact C-N 3.34Å; A38-R40 PolarHBondContact O-N 2.98Å; A38-H41 PolarHBondContact O-N 3.32Å; A38-L42 PolarHBondContact O-N 3.39Å; A38-F89 HydrophobicContact CB-CE1 3.84Å; A38-F89 HydrophobicContact CB-CZ 3.69Å
39A88Confident82.1Confident0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-62.3-41.7175.200000111.9I11 H35 E36 D37 H41 L42 S43 F89I11-A39 HydrophobicContact CG2-CB 4.04Å; H35-A39 PolarHBondContact O-N 3.01Å; E36-A39 PolarHBondContact O-N 3.19Å; D37-A39 PolarHBondContact O-N 2.97Å; A39-H41 VanDerWaalsContact C-N 3.34Å; A39-H41 PolarHBondContact O-N 3.21Å; A39-L42 WeakPolarHBondContact O-CB 3.5Å; A39-L42 PolarHBondContact O-N 3.2Å; A39-S43 PolarHBondContact O-N 3.34Å; A39-F89 HydrophobicContact CB-CB 4.22Å; A39-F89 HydrophobicContact CB-CD1 4.26Å; A39-F89 HydrophobicContact CB-CG 4.16Å
40R86.3Confident83Confident91 Ų9157.9 Ų57.934%0.34329%0.285SS..Hα-helixtrans-64-40.2175-175.1-179.669.790.8-2.6111.7E36 D37 A38 L42 N44 C57E36-R40 WeakPolarHBondContact O-CB 3.29Å; E36-R40 PolarHBondContact O-N 3.44Å; D37-R40 WeakPolarHBondContact O-CB 3.27Å; D37-R40 PolarHBondContact O-N 3.11Å; D37-R40 IonicContact OD1-CZ 3.19Å; D37-R40 IonicContact OD1-NE 3.05Å; D37-R40 PolarHBondContact OD1-NE 3.36Å; D37-R40 IonicContact OD1-NH2 2.58Å; D37-R40 PolarHBondContact OD1-NH2 3.29Å; A38-R40 VanDerWaalsContact C-N 3.34Å; A38-R40 PolarHBondContact O-N 2.98Å; R40-L42 VanDerWaalsContact C-N 3.35Å; R40-N44 PolarHBondContact O-N 3.26Å; R40-N44 VanDerWaalsContact O-N 3.07Å; R40-N44 PolarHBondContact O-ND2 3.41Å; R40-C57 VanDerWaalsContact CA-SG 3.52Å; R40-C57 PolarHBondContact N-SG 3.44Å; R40-C57 VanDerWaalsContact N-SG 3.39Å
41H87.1Confident83.4Confident92 Ų9258.7 Ų58.743%0.42629%0.288SS..Hα-helixtrans-64.3-39173.8-85-68.9000111.9D37 A38 A39 H45 W157D37-H41 WeakPolarHBondContact O-CB 3.48Å; D37-H41 PolarHBondContact O-CD2 3.26Å; D37-H41 PolarHBondContact O-N 3.26Å; D37-H41 IonicContact OD1-CD2 3.64Å; D37-H41 IonicContact OD1-NE2 2.86Å; D37-H41 IonicContact OD2-CD2 3.83Å; D37-H41 PolarHBondContact OD2-CD2 2.88Å; D37-H41 IonicContact OD2-NE2 2.94Å; D37-H41 PolarHBondContact OD2-NE2 2.85Å; A38-H41 PolarHBondContact O-N 3.32Å; A39-H41 VanDerWaalsContact C-N 3.34Å; A39-H41 PolarHBondContact O-N 3.21Å; H41-H45 WeakPolarHBondContact O-CB 3.26Å; H41-H45 PolarHBondContact O-N 3.32Å; H41-W157 HydrophobicContact CB-CH2 4.47Å; H41-W157 HydrophobicContact CB-CZ2 4.24Å
42L88.5Confident83.8Confident0 Ų059.3 Ų59.30%029%0.287CS..Hα-helixtrans-61.8-50.4174.3179.163.6000112I11 A38 A39 R40 N44 H45 V46 F89 V129 W157 M164 L167I11-L42 HydrophobicContact CD1-CB 4.23Å; I11-L42 HydrophobicContact CD1-CD2 3.97Å; I11-L42 HydrophobicContact CD1-CG 3.87Å; A38-L42 PolarHBondContact O-N 3.39Å; A39-L42 WeakPolarHBondContact O-CB 3.5Å; A39-L42 PolarHBondContact O-N 3.2Å; R40-L42 VanDerWaalsContact C-N 3.35Å; L42-N44 PolarHBondContact O-N 2.75Å; L42-H45 PolarHBondContact O-N 3.1Å; L42-V46 HydrophobicContact CD1-CG2 4.04Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 VanDerWaalsContact O-CG2 3.27Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 2.8Å; L42-F89 HydrophobicContact CD2-CD2 3.73Å; L42-F89 HydrophobicContact CD2-CE2 4.16Å; L42-V129 HydrophobicContact CD2-CB 4.47Å; L42-V129 HydrophobicContact CD2-CG1 3.9Å; L42-W157 HydrophobicContact CB-CH2 3.69Å; L42-W157 HydrophobicContact CB-CZ2 4.1Å; L42-W157 HydrophobicContact CB-CZ3 4.05Å; L42-W157 HydrophobicContact CD1-CE3 3.71Å; L42-W157 HydrophobicContact CD1-CH2 3.89Å; L42-W157 HydrophobicContact CD1-CZ3 3.29Å; L42-W157 HydrophobicContact CG-CH2 4.41Å; L42-W157 HydrophobicContact CG-CZ3 4.27Å; L42-M164 HydrophobicContact CD1-SD 4.22Å; L42-L167 HydrophobicContact CD1-CD2 3.98Å; L42-L167 HydrophobicContact CD2-CD2 4.47Å; L42-L167 HydrophobicContact CG-CD2 4.47Å
43S88.7Confident84.1Confident4 Ų458.6 Ų58.63%0.02828%0.284CS..Hα-helixtrans-55.7-50.4176.6155.60000111.5A39 H45 V46 M47 V55A39-S43 PolarHBondContact O-N 3.34Å; S43-H45 VanDerWaalsContact C-N 3.33Å; S43-H45 PolarHBondContact O-N 2.92Å; S43-V46 PolarHBondContact O-N 2.91Å; S43-M47 WeakPolarHBondContact O-CG 3.25Å; S43-M47 PolarHBondContact O-N 2.85Å; S43-M47 WeakPolarHBondContact OG-CE 3.42Å; S43-V55 PolarHBondContact OG-O 2.86Å
44N87.1Confident84.5Confident61 Ų6153.8 Ų53.833%0.32627%0.27SS..Hα-helixtrans-63-39.3178.5-71.2-40.8000112.4R40 L42 N48R40-N44 PolarHBondContact O-N 3.26Å; R40-N44 VanDerWaalsContact O-N 3.07Å; R40-N44 PolarHBondContact O-ND2 3.41Å; L42-N44 PolarHBondContact O-N 2.75Å; N44-N48 VanDerWaalsContact O-CB 3.28Å; N44-N48 WeakPolarHBondContact O-CB 3.34Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 2.86Å
45H88.3Confident84.8Confident55 Ų5546.1 Ų46.126%0.25524%0.237SC..Hα-helixtrans-68.6-41.5-179.9-170.967.7000111.9H41 L42 S43 N48 K49 W157 F158H41-H45 WeakPolarHBondContact O-CB 3.26Å; H41-H45 PolarHBondContact O-N 3.32Å; L42-H45 PolarHBondContact O-N 3.1Å; S43-H45 VanDerWaalsContact C-N 3.33Å; S43-H45 PolarHBondContact O-N 2.92Å; H45-N48 PolarHBondContact O-N 3.35Å; H45-K49 WeakPolarHBondContact O-CB 3.45Å; H45-K49 PolarHBondContact O-N 3.22Å; H45-W157 HydrophobicContact CB-CH2 4.25Å; H45-W157 HydrophobicContact CB-CZ3 4.26Å; H45-F158 PolarHBondContact NE2-O 2.8Å
46V87.1Confident84.9Confident1 Ų147.2 Ų47.21%0.00624%0.243CC..Hα-helixtrans-59.4-49.6173.8173.20000110.4L42 S43 N48 K49 Y50 L53 V55 M164 L167 I171L42-V46 HydrophobicContact CD1-CG2 4.04Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 VanDerWaalsContact O-CG2 3.27Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 2.8Å; S43-V46 PolarHBondContact O-N 2.91Å; V46-N48 PolarHBondContact O-N 3.47Å; V46-K49 PolarHBondContact O-N 2.93Å; V46-Y50 HydrophobicContact CG1-CD2 4.36Å; V46-Y50 WeakPolarHBondContact O-CB 3.37Å; V46-Y50 PolarHBondContact O-N 3.2Å; V46-L53 HydrophobicContact CG1-CD1 3.95Å; V46-V55 HydrophobicContact CG1-CG2 3.91Å; V46-M164 HydrophobicContact CB-CE 4.18Å; V46-M164 HydrophobicContact CG2-CE 3.48Å; V46-M164 VanDerWaalsContact CG2-CE 3.48Å; V46-M164 HydrophobicContact CG2-SD 4.33Å; V46-L167 HydrophobicContact CG2-CD2 3.75Å; V46-I171 HydrophobicContact CG1-CD1 4.47Å
47M85Confident85Confident51 Ų5147 Ų4725%0.25124%0.244SC..Hα-helixtrans-65.8-36179.7-68-172.2-6700112.9S43 Y50 P51 V55S43-M47 WeakPolarHBondContact O-CG 3.25Å; S43-M47 PolarHBondContact O-N 2.85Å; S43-M47 WeakPolarHBondContact OG-CE 3.42Å; M47-Y50 CarbonylContact O-C 3.55Å; M47-P51 VanDerWaalsContact O-CA 3.3Å; M47-P51 WeakPolarHBondContact O-CA 3.3Å; M47-V55 WeakPolarHBondContact CE-O 3.27Å; M47-V55 HydrophobicContact CG-CB 3.99Å; M47-V55 HydrophobicContact CG-CG2 4.34Å; M47-V55 HydrophobicContact SD-CB 4.35Å; M47-V55 PolarHBondContact SD-N 3.39Å
48N85.7Confident84.8Confident133 Ų13345.4 Ų45.471%0.71124%0.235SC*.Hα-helixtrans-69.5-36.8177-73.6-19000112.3N44 H45 V46N44-N48 VanDerWaalsContact O-CB 3.28Å; N44-N48 WeakPolarHBondContact O-CB 3.34Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 2.86Å; H45-N48 PolarHBondContact O-N 3.35Å; V46-N48 PolarHBondContact O-N 3.47Å
49K84.9Confident83.9Confident73 Ų7347.1 Ų47.132%0.31724%0.241SC..Hα-helixtrans-79.4-35.5-179.9-166.8173.6-176.7179.70112H45 V46 M164H45-K49 WeakPolarHBondContact O-CB 3.45Å; H45-K49 PolarHBondContact O-N 3.22Å; V46-K49 PolarHBondContact O-N 2.93Å; K49-M164 HydrophobicContact CD-CB 4.4Å; K49-M164 HydrophobicContact CD-CE 4.34Å
50Y85.5Confident82.6Confident25 Ų2551.1 Ų51.110%0.09826%0.263CS..  trans-127.581.7-177.4-51-64.1000109.1V46 M47 N52 L53 M164 M165 E168V46-Y50 HydrophobicContact CG1-CD2 4.36Å; V46-Y50 WeakPolarHBondContact O-CB 3.37Å; V46-Y50 PolarHBondContact O-N 3.2Å; M47-Y50 CarbonylContact O-C 3.55Å; Y50-N52 PolarHBondContact O-N 3.41Å; Y50-N52 VanDerWaalsContact O-N 3.13Å; Y50-L53 WeakPolarHBondContact O-CB 3.43Å; Y50-L53 PolarHBondContact O-N 3.43Å; Y50-M164 HydrophobicContact CE2-CB 4.35Å; Y50-M164 HydrophobicContact CE2-CE 4.13Å; Y50-M165 WeakPolarHBondContact OH-CG 3.33Å; Y50-E168 HydrophobicContact CD1-CG 4Å; Y50-E168 WeakPolarHBondContact CD1-OE1 3.49Å; Y50-E168 WeakPolarHBondContact CD1-OE2 3.27Å; Y50-E168 HydrophobicContact CD2-CB 3.92Å; Y50-E168 HydrophobicContact CD2-CG 3.89Å; Y50-E168 HydrophobicContact CE1-CB 4.5Å; Y50-E168 VanDerWaalsContact CE1-CD 3.46Å; Y50-E168 HydrophobicContact CE1-CG 4.27Å; Y50-E168 WeakPolarHBondContact CE1-OE2 3.49Å; Y50-E168 HydrophobicContact CE2-CB 3.74Å; Y50-E168 HydrophobicContact CE2-CG 4.12Å; Y50-E168 HydrophobicContact CG-CB 4.33Å; Y50-E168 HydrophobicContact CG-CG 3.81Å
51P77.1Confident81.3Confident114 Ų11446.9 Ų46.974%0.7425%0.247SC*.THydrogen-bonded Turntrans-67-14.5-172.626.4-35.2000114.2M47 L53M47-P51 VanDerWaalsContact O-CA 3.3Å; M47-P51 WeakPolarHBondContact O-CA 3.3Å; P51-L53 VanDerWaalsContact C-N 3.27Å
52N78.8Confident79.7Confident77 Ų7745.9 Ų45.941%0.41225%0.248SC..THydrogen-bonded Turntrans-76.6-12.2171.258.4-32.4000113.2H8 Y50 K172H8-N52 PolarHBondContact CE1-O 3.12Å; Y50-N52 PolarHBondContact O-N 3.41Å; Y50-N52 VanDerWaalsContact O-N 3.13Å; N52-K172 WeakPolarHBondContact ND2-CE 3.47Å; N52-K172 PolarHBondContact ND2-NZ 2.92Å
53L82.1Confident78.4Confident7 Ų755 Ų554%0.03728%0.283CS..  trans-93.4131.2172.9-68.7-176.3000110.9H8 V46 Y50 P51 V55 E168 I171 K172H8-L53 HydrophobicContact CB-CD2 4.31Å; V46-L53 HydrophobicContact CG1-CD1 3.95Å; Y50-L53 WeakPolarHBondContact O-CB 3.43Å; Y50-L53 PolarHBondContact O-N 3.43Å; P51-L53 VanDerWaalsContact C-N 3.27Å; L53-V55 HydrophobicContact CB-CG2 4.23Å; L53-E168 HydrophobicContact CD1-CB 4.26Å; L53-E168 HydrophobicContact CD1-CG 3.7Å; L53-I171 HydrophobicContact CD1-CB 4.44Å; L53-I171 HydrophobicContact CD1-CG2 4.27Å; L53-I171 HydrophobicContact CD2-CG2 3.86Å; L53-K172 HydrophobicContact CD2-CG 3.72Å
54N82Confident77.3Confident56 Ų5656.2 Ų56.230%0.29929%0.289SS..  trans-105110.3170.4-176.313000108.9Y6 H7 H8 A9Y6-N54 PolarHBondContact O-ND2 3.27Å; H7-N54 PolarHBondContact CE1-OD1 3.44Å; H7-N54 PolarHBondContact ND1-ND2 3.49Å; H7-N54 PolarHBondContact ND1-OD1 2.98Å; H8-N54 WeakPolarHBondContact CB-O 3.38Å; H8-N54 PolarHBondContact N-O 3.49Å; H8-N54 WeakPolarHBondContact ND1-CB 3.41Å; H8-N54 PolarHBondContact ND1-N 3.12Å; A9-N54 PolarHBondContact N-O 3.34Å
55V86.2Confident76.4Confident2 Ų260.6 Ų60.61%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-124116.2-173.6-177.80000110.6A9 I11 S43 V46 M47 L53 I171A9-V55 HydrophobicContact CB-CG1 4.36Å; A9-V55 HydrophobicContact CB-CG2 4.49Å; A9-V55 CarbonylContact O-C 3.49Å; A9-V55 WeakPolarHBondContact O-CA 3.4Å; I11-V55 HydrophobicContact CD1-CG1 3.84Å; I11-V55 HydrophobicContact CG1-CG1 3.68Å; S43-V55 PolarHBondContact OG-O 2.86Å; V46-V55 HydrophobicContact CG1-CG2 3.91Å; M47-V55 WeakPolarHBondContact CE-O 3.27Å; M47-V55 HydrophobicContact CG-CB 3.99Å; M47-V55 HydrophobicContact CG-CG2 4.34Å; M47-V55 HydrophobicContact SD-CB 4.35Å; M47-V55 PolarHBondContact SD-N 3.39Å; L53-V55 HydrophobicContact CB-CG2 4.23Å; V55-I171 HydrophobicContact CG2-CD1 4.36Å
56L84.7Confident75.5Confident42 Ų4261.3 Ų61.322%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-82141.4175.4-177.562.7000110.6H7 A9 A10 I11 L58H7-L56 HydrophobicContact CB-CB 4.18Å; A9-L56 PolarHBondContact O-N 3.31Å; A10-L56 CarbonylContact C-O 3.56Å; A10-L56 VanDerWaalsContact CA-O 3.3Å; A10-L56 WeakPolarHBondContact CA-O 3.48Å; A10-L56 HydrophobicContact CB-CB 4.29Å; I11-L56 PolarHBondContact N-O 2.85Å; L56-L58 HydrophobicContact CD2-CD2 3.83Å; L56-L58 HydrophobicContact CD2-CG 4.34Å; L56-L58 HydrophobicContact CG-CD2 4.27Å
57C84.2Confident75Confident18 Ų1864.4 Ų64.412%0.12233%0.327CS..EExtended strand (participates in β ladder)trans-110.6121.6165.1-165.50000109.6R40 N59R40-C57 VanDerWaalsContact CA-SG 3.52Å; R40-C57 PolarHBondContact N-SG 3.44Å; R40-C57 VanDerWaalsContact N-SG 3.39Å; C57-N59 PolarHBondContact O-N 3.16Å; C57-N59 PolarHBondContact SG-OD1 3.43Å
58L77.5Confident74.8Confident30 Ų3062.3 Ų62.316%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-86.7106.7175.1-66.6172.6000107.4A10 I11 L12 F16 L56 L79A10-L58 HydrophobicContact CB-CD1 4.31Å; I11-L58 PolarHBondContact O-N 3.35Å; L12-L58 HydrophobicContact CD2-CB 4.11Å; L12-L58 HydrophobicContact CD2-CD1 3.46Å; L12-L58 VanDerWaalsContact CD2-CD1 3.46Å; L12-L58 HydrophobicContact CD2-CG 4.34Å; F16-L58 HydrophobicContact CE2-CB 4.01Å; F16-L58 WeakPolarHBondContact CE2-O 3.48Å; F16-L58 HydrophobicContact CZ-CB 3.76Å; L56-L58 HydrophobicContact CD2-CD2 3.83Å; L56-L58 HydrophobicContact CD2-CG 4.34Å; L56-L58 HydrophobicContact CG-CD2 4.27Å; L58-L79 HydrophobicContact CD1-CD2 3.6Å
59N66.4Low74.8Confident58 Ų5857 Ų5731%0.3129%0.287SS..  trans-97.1-19.6-171.6-63.1-16.3000113.6E36 C57E36-N59 VanDerWaalsContact CD-O 3.23Å; C57-N59 PolarHBondContact O-N 3.16Å; C57-N59 PolarHBondContact SG-OD1 3.43Å
60N61.1Low74.5Confident84 Ų8458.1 Ų58.145%0.44930%0.304SS..  trans-112.397-174.4-92.3-28.4000110.2F16 T62 Y63F16-N60 WeakPolarHBondContact CZ-O 3.3Å; N60-T62 PolarHBondContact O-N 3.31Å; N60-T62 VanDerWaalsContact O-N 3.12Å; N60-Y63 HydrophobicContact CB-CD2 3.39Å; N60-Y63 HydrophobicContact CB-CE2 3.82Å; N60-Y63 HydrophobicContact CB-CG 4.49Å; N60-Y63 WeakPolarHBondContact ND2-CE2 3.24Å; N60-Y63 PolarHBondContact O-N 2.88Å
61S58.3Low74.2Confident2 Ų259.7 Ų59.71%0.01431%0.314CS..THydrogen-bonded Turntrans-58.5-18170.254.40000113R19 S27R19-S61 PolarHBondContact NH1-O 2.92Å; S27-S61 WeakPolarHBondContact CB-OG 3.46Å
62T55.4Low74.5Confident71 Ų7154.6 Ų54.644%0.43628%0.281SS..THydrogen-bonded Turntrans-69-30.9176.644.50000114.2S27 N60 M64S27-T62 WeakPolarHBondContact OG-CG2 3.42Å; N60-T62 PolarHBondContact O-N 3.31Å; N60-T62 VanDerWaalsContact O-N 3.12Å; T62-M64 VanDerWaalsContact C-N 3.35Å
63Y59.5Low74.5Confident192 Ų19254 Ų5475%0.75328%0.281SS*.THydrogen-bonded Turntrans-75.7-24.9-177.7-77.1-68.2000113.1N60N60-Y63 HydrophobicContact CB-CD2 3.39Å; N60-Y63 HydrophobicContact CB-CE2 3.82Å; N60-Y63 HydrophobicContact CB-CG 4.49Å; N60-Y63 WeakPolarHBondContact ND2-CE2 3.24Å; N60-Y63 PolarHBondContact O-N 2.88Å
64M65.9Low74.4Confident29 Ų2958.1 Ų58.114%0.14330%0.296CS..SBendtrans-92.2131.2-179.9-66.7-162.2127.200110.7F16 R19 T62 L68 C78 L79F16-M64 HydrophobicContact CD1-CB 4.3Å; F16-M64 HydrophobicContact CD1-CG 4.36Å; F16-M64 HydrophobicContact CD1-SD 3.84Å; F16-M64 HydrophobicContact CE1-CB 3.91Å; F16-M64 HydrophobicContact CE1-CG 3.65Å; F16-M64 HydrophobicContact CE1-SD 3.43Å; F16-M64 WeakPolarHBondContact CE1-SD 3.48Å; F16-M64 HydrophobicContact CZ-SD 4.49Å; R19-M64 PolarHBondContact NH1-O 2.86Å; R19-M64 VanDerWaalsContact NH1-O 3.07Å; T62-M64 VanDerWaalsContact C-N 3.35Å; M64-L68 HydrophobicContact CB-CD2 4.29Å; M64-L68 HydrophobicContact CE-CD2 3.66Å; M64-L68 HydrophobicContact CG-CD2 4.38Å; M64-L68 HydrophobicContact SD-CD2 3.54Å; M64-L68 VanDerWaalsContact SD-CD2 3.54Å; M64-C78 HydrophobicContact CE-CB 3.48Å; M64-C78 VanDerWaalsContact CE-CB 3.48Å; M64-L79 HydrophobicContact CE-CD2 3.52Å; M64-L79 HydrophobicContact CE-CG 3.99Å; M64-L79 HydrophobicContact SD-CD2 4.02Å
65K69.4Low74.4Confident152 Ų15255.5 Ų55.566%0.66128%0.281SS*.  trans-68.8147.7177.4-62.2-176.4176.6179.40110.4D67 L68K65-D67 WeakPolarHBondContact CB-OD1 3.4Å; K65-D67 PolarHBondContact O-N 3.1Å; K65-L68 VanDerWaalsContact O-CB 3.27Å; K65-L68 WeakPolarHBondContact O-CB 3.32Å; K65-L68 PolarHBondContact O-N 2.94Å; K65-L68 VanDerWaalsContact O-N 3.09Å
66N69.6Low74.1Confident70 Ų7057.9 Ų57.937%0.37429%0.294SS..G310 helixtrans-61.5-30.8179.4-71.1-3.3000112.4R19 Q20 L68R19-N66 WeakPolarHBondContact CD-OD1 3.29Å; R19-N66 PolarHBondContact NE-OD1 3.45Å; R19-N66 PolarHBondContact NH1-OD1 3.24Å; R19-N66 PolarHBondContact NH2-OD1 3.31Å; Q20-N66 PolarHBondContact NE2-O 2.87Å; N66-L68 PolarHBondContact O-N 2.81Å
67D75.8Confident73.4Confident66 Ų6657.7 Ų57.735%0.35330%0.298SS..G310 helixtrans-85.718.3178.664.4-5.5000113K65 W69 S70 R74K65-D67 WeakPolarHBondContact CB-OD1 3.4Å; K65-D67 PolarHBondContact O-N 3.1Å; D67-W69 VanDerWaalsContact C-N 3.28Å; D67-W69 PolarHBondContact O-N 2.87Å; D67-S70 PolarHBondContact O-OG 3.45Å; D67-R74 IonicContact OD1-NH1 3.42Å; D67-R74 PolarHBondContact OD1-NH1 2.86Å; D67-R74 IonicContact OD2-CZ 2.71Å; D67-R74 IonicContact OD2-NH1 3.98Å; D67-R74 PolarHBondContact OD2-NH1 2.93Å; D67-R74 IonicContact OD2-NH2 2.69Å
68L81.1Confident73.1Confident8 Ų859.2 Ų59.24%0.04231%0.309CS..G310 helixtrans-60.8-39.8174.8176.163.1000111.7M64 K65 N66 R74 I75 C78 L79M64-L68 HydrophobicContact CB-CD2 4.29Å; M64-L68 HydrophobicContact CE-CD2 3.66Å; M64-L68 HydrophobicContact CG-CD2 4.38Å; M64-L68 HydrophobicContact SD-CD2 3.54Å; M64-L68 VanDerWaalsContact SD-CD2 3.54Å; K65-L68 VanDerWaalsContact O-CB 3.27Å; K65-L68 WeakPolarHBondContact O-CB 3.32Å; K65-L68 PolarHBondContact O-N 2.94Å; K65-L68 VanDerWaalsContact O-N 3.09Å; N66-L68 PolarHBondContact O-N 2.81Å; L68-R74 HydrophobicContact CD1-CB 3.91Å; L68-R74 WeakPolarHBondContact CD1-O 3.5Å; L68-I75 HydrophobicContact CG-CG1 4.46Å; L68-I75 VanDerWaalsContact O-CG1 3.28Å; L68-I75 WeakPolarHBondContact O-CG1 3.3Å; L68-C78 HydrophobicContact CD1-CB 3.76Å; L68-L79 HydrophobicContact CD2-CD1 4.34Å; L68-L79 HydrophobicContact CD2-CG 4.45Å
69W84.4Confident73.4Confident22 Ų2257.8 Ų57.88%0.08330%0.302CS..G310 helixtrans-84.8-5.6-172.3-62.794.9000114.4L12 D67 I75 L79 F101 C105 L106 L109 F126L12-W69 HydrophobicContact CD1-CH2 4.11Å; L12-W69 HydrophobicContact CD1-CZ2 3.89Å; D67-W69 VanDerWaalsContact C-N 3.28Å; D67-W69 PolarHBondContact O-N 2.87Å; W69-I75 HydrophobicContact CD2-CD1 4.43Å; W69-I75 HydrophobicContact CE3-CD1 3.68Å; W69-I75 HydrophobicContact CE3-CG1 4.42Å; W69-I75 HydrophobicContact CZ3-CD1 4.14Å; W69-L79 HydrophobicContact CH2-CD1 4.1Å; W69-L79 HydrophobicContact CZ2-CD1 4.26Å; W69-F101 AromaticContact CD2-CE2 3.73Å; W69-F101 HydrophobicContact CD2-CE2 3.73Å; W69-F101 AromaticContact CD2-CZ 3.74Å; W69-F101 HydrophobicContact CD2-CZ 3.74Å; W69-F101 AromaticContact CE2-CE2 3.58Å; W69-F101 AromaticContact CE2-CZ 3.55Å; W69-F101 HydrophobicContact CE3-CE2 4.2Å; W69-F101 AromaticContact CE3-CZ 3.8Å; W69-F101 HydrophobicContact CE3-CZ 3.8Å; W69-F101 HydrophobicContact CG-CE2 4.09Å; W69-F101 HydrophobicContact CH2-CE1 4.45Å; W69-F101 HydrophobicContact CH2-CE2 4.45Å; W69-F101 AromaticContact CH2-CZ 3.59Å; W69-F101 HydrophobicContact CH2-CZ 3.59Å; W69-F101 AromaticContact CZ2-CE2 3.98Å; W69-F101 HydrophobicContact CZ2-CE2 3.98Å; W69-F101 AromaticContact CZ2-CZ 3.49Å; W69-F101 HydrophobicContact CZ2-CZ 3.49Å; W69-F101 VanDerWaalsContact CZ2-CZ 3.49Å; W69-F101 AromaticContact CZ3-CZ 3.73Å; W69-F101 HydrophobicContact CZ3-CZ 3.73Å; W69-F101 AromaticContact NE1-CE2 3.78Å; W69-C105 HydrophobicContact CB-CB 3.96Å; W69-C105 HydrophobicContact CD2-CB 4.35Å; W69-C105 HydrophobicContact CE3-CB 4.41Å; W69-C105 HydrophobicContact CG-CB 4.16Å; W69-L106 HydrophobicContact CZ3-CD2 4.17Å; W69-L109 HydrophobicContact CE3-CD2 4.45Å; W69-L109 HydrophobicContact CZ3-CD2 4.39Å; W69-F126 HydrophobicContact CH2-CE1 4.03Å; W69-F126 AromaticContact CZ3-CE1 3.95Å; W69-F126 HydrophobicContact CZ3-CE1 3.95Å; W69-F126 HydrophobicContact CZ3-CZ 4.14Å
70S79.5Confident74.2Confident95 Ų9555.3 Ų55.366%0.66429%0.288SS*.G310 helixtrans-81-20.3179.657.50000113.3D67D67-S70 PolarHBondContact O-OG 3.45Å
71D79.5Confident74.9Confident59 Ų5954.4 Ų54.432%0.31629%0.288SS..  trans-132.7119.8-176.9177.33.8000110.1T73 R74 I75D71-T73 PolarHBondContact O-N 2.85Å; D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.31Å; D71-T73 PolarHBondContact OD1-N 3.25Å; D71-T73 PolarHBondContact OD1-OG1 3.46Å; D71-R74 HydrophobicContact CB-CB 4.41Å; D71-R74 HydrophobicContact CB-CG 3.95Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.48Å; D71-R74 VanDerWaalsContact O-N 3.1Å; D71-R74 IonicContact OD2-NE 3.89Å; D71-I75 PolarHBondContact O-N 2.89Å
72S82.4Confident75.8Confident7 Ų758.1 Ų58.15%0.04931%0.306CS..Hα-helixtrans-59.5-31.6178.452.20000112.1R74 I75 N76 G117 W122S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.43Å; S72-I75 WeakPolarHBondContact O-CB 3.29Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-N76 PolarHBondContact O-N 3.49Å; S72-G117 PolarHBondContact OG-O 3.44Å; S72-W122 VanDerWaalsContact O-CH2 3.25Å; S72-W122 WeakPolarHBondContact O-CH2 3.33Å
73T79.7Confident77Confident65 Ų6554.8 Ų54.840%0.39929%0.285SS..Hα-helixtrans-61.4-39.7177.2-43.60000111.5D71 N76 A77D71-T73 PolarHBondContact O-N 2.85Å; D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.31Å; D71-T73 PolarHBondContact OD1-N 3.25Å; D71-T73 PolarHBondContact OD1-OG1 3.46Å; T73-N76 WeakPolarHBondContact O-CB 3.25Å; T73-N76 PolarHBondContact O-N 3.23Å; T73-A77 WeakPolarHBondContact O-CB 3.28Å; T73-A77 PolarHBondContact O-N 2.86Å
74R80.5Confident78.1Confident93 Ų9346.1 Ų46.135%0.35125%0.253SS..Hα-helixtrans-69.5-41.2177.4-61.9-179.9-177.7-155.34111.8D67 L68 D71 S72 N76 A77 C78D67-R74 IonicContact OD1-NH1 3.42Å; D67-R74 PolarHBondContact OD1-NH1 2.86Å; D67-R74 IonicContact OD2-CZ 2.71Å; D67-R74 IonicContact OD2-NH1 3.98Å; D67-R74 PolarHBondContact OD2-NH1 2.93Å; D67-R74 IonicContact OD2-NH2 2.69Å; L68-R74 HydrophobicContact CD1-CB 3.91Å; L68-R74 WeakPolarHBondContact CD1-O 3.5Å; D71-R74 HydrophobicContact CB-CB 4.41Å; D71-R74 HydrophobicContact CB-CG 3.95Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.48Å; D71-R74 VanDerWaalsContact O-N 3.1Å; D71-R74 IonicContact OD2-NE 3.89Å; S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.43Å; R74-N76 VanDerWaalsContact C-N 3.27Å; R74-N76 PolarHBondContact O-N 2.82Å; R74-A77 PolarHBondContact O-N 3.43Å; R74-C78 WeakPolarHBondContact O-CB 3.45Å; R74-C78 PolarHBondContact O-N 2.83Å; R74-C78 PolarHBondContact O-SG 2.67Å; R74-C78 VanDerWaalsContact O-SG 3.4Å
75I81.3Confident79.2Confident0 Ų045.4 Ų45.40%025%0.248CC..Hα-helixtrans-58-45172.9-60.6178.6000109.9L68 W69 D71 S72 L79 F80 L109 W122L68-I75 HydrophobicContact CG-CG1 4.46Å; L68-I75 VanDerWaalsContact O-CG1 3.28Å; L68-I75 WeakPolarHBondContact O-CG1 3.3Å; W69-I75 HydrophobicContact CD2-CD1 4.43Å; W69-I75 HydrophobicContact CE3-CD1 3.68Å; W69-I75 HydrophobicContact CE3-CG1 4.42Å; W69-I75 HydrophobicContact CZ3-CD1 4.14Å; D71-I75 PolarHBondContact O-N 2.89Å; S72-I75 WeakPolarHBondContact O-CB 3.29Å; S72-I75 PolarHBondContact O-N 3.38Å; I75-L79 HydrophobicContact CG2-CD1 4.23Å; I75-L79 WeakPolarHBondContact O-CA 3.39Å; I75-L79 WeakPolarHBondContact O-CB 3.38Å; I75-L79 PolarHBondContact O-N 3.37Å; I75-F80 HydrophobicContact CG2-CD2 4Å; I75-F80 HydrophobicContact CG2-CE2 3.67Å; I75-F80 PolarHBondContact O-N 3.41Å; I75-L109 HydrophobicContact CD1-CD1 3.82Å; I75-L109 HydrophobicContact CD1-CD2 3.5Å; I75-L109 HydrophobicContact CD1-CG 4.27Å; I75-W122 HydrophobicContact CB-CZ3 4.11Å; I75-W122 HydrophobicContact CG2-CZ3 3.95Å
76N79.2Confident80.2Confident52 Ų5238.1 Ų38.128%0.27822%0.217SC..Iπ-helixtrans-61.2-48.2177.5-162.943.9000111.8S72 T73 R74 C78 F80 S81 W122S72-N76 PolarHBondContact O-N 3.49Å; T73-N76 WeakPolarHBondContact O-CB 3.25Å; T73-N76 PolarHBondContact O-N 3.23Å; R74-N76 VanDerWaalsContact C-N 3.27Å; R74-N76 PolarHBondContact O-N 2.82Å; N76-C78 PolarHBondContact O-N 3.47Å; N76-F80 CarbonylContact O-C 3.55Å; N76-F80 PolarHBondContact O-N 2.86Å; N76-F80 WeakPolarHBondContact OD1-CB 3.48Å; N76-S81 PolarHBondContact O-N 3.35Å; N76-W122 HydrophobicContact CB-CH2 3.85Å; N76-W122 HydrophobicContact CB-CZ2 4.19Å
77A71.6Confident81.3Confident38 Ų3834.9 Ų34.931%0.31420%0.199SC..Iπ-helixtrans-68.1-33.7-177.500000113.5T73 R74 S81T73-A77 WeakPolarHBondContact O-CB 3.28Å; T73-A77 PolarHBondContact O-N 2.86Å; R74-A77 PolarHBondContact O-N 3.43Å; A77-S81 WeakPolarHBondContact O-CB 3.26Å; A77-S81 PolarHBondContact O-OG 2.88Å
78C77.2Confident82.2Confident50 Ų5031.7 Ų31.734%0.33818%0.182SC..Iπ-helixtrans-97.7-30.9-175.5-610000114.4M64 L68 R74 N76 Q82M64-C78 HydrophobicContact CE-CB 3.48Å; M64-C78 VanDerWaalsContact CE-CB 3.48Å; L68-C78 HydrophobicContact CD1-CB 3.76Å; R74-C78 WeakPolarHBondContact O-CB 3.45Å; R74-C78 PolarHBondContact O-N 2.83Å; R74-C78 PolarHBondContact O-SG 2.67Å; R74-C78 VanDerWaalsContact O-SG 3.4Å; N76-C78 PolarHBondContact O-N 3.47Å; C78-Q82 PolarHBondContact O-NE2 3.44Å
79L83.9Confident82.7Confident1 Ų131.5 Ų31.51%0.00518%0.181CC..Iπ-helixtrans-109.7-57.7-175.8-67.3-179.8000111.5L12 L58 M64 L68 W69 I75 S81 Q82 A83 I86L12-L79 HydrophobicContact CD1-CD1 4.19Å; L12-L79 HydrophobicContact CD2-CD2 4.04Å; L58-L79 HydrophobicContact CD1-CD2 3.6Å; M64-L79 HydrophobicContact CE-CD2 3.52Å; M64-L79 HydrophobicContact CE-CG 3.99Å; M64-L79 HydrophobicContact SD-CD2 4.02Å; L68-L79 HydrophobicContact CD2-CD1 4.34Å; L68-L79 HydrophobicContact CD2-CG 4.45Å; W69-L79 HydrophobicContact CH2-CD1 4.1Å; W69-L79 HydrophobicContact CZ2-CD1 4.26Å; I75-L79 HydrophobicContact CG2-CD1 4.23Å; I75-L79 WeakPolarHBondContact O-CA 3.39Å; I75-L79 WeakPolarHBondContact O-CB 3.38Å; I75-L79 PolarHBondContact O-N 3.37Å; L79-S81 VanDerWaalsContact C-N 3.27Å; L79-S81 PolarHBondContact O-N 2.85Å; L79-Q82 PolarHBondContact O-N 3.27Å; L79-A83 PolarHBondContact O-N 3.42Å; L79-I86 HydrophobicContact CB-CD1 3.72Å; L79-I86 HydrophobicContact CB-CG1 4.19Å; L79-I86 HydrophobicContact CD1-CD1 4.47Å; L79-I86 HydrophobicContact CD1-CG1 4.45Å; L79-I86 HydrophobicContact CD2-CD1 4.29Å; L79-I86 HydrophobicContact CG-CD1 4.39Å
80F82.9Confident83Confident5 Ų530.5 Ų30.52%0.02218%0.177CC..Iπ-helixtrans-75.5-14.7-173.3-65-54.9000114.9Y6 I75 N76 Q82 A83 I86 W122 R125 F126Y6-F80 VanDerWaalsContact CE2-O 3.26Å; Y6-F80 WeakPolarHBondContact CE2-O 3.28Å; Y6-F80 PolarHBondContact OH-O 3.32Å; I75-F80 HydrophobicContact CG2-CD2 4Å; I75-F80 HydrophobicContact CG2-CE2 3.67Å; I75-F80 PolarHBondContact O-N 3.41Å; N76-F80 CarbonylContact O-C 3.55Å; N76-F80 PolarHBondContact O-N 2.86Å; N76-F80 WeakPolarHBondContact OD1-CB 3.48Å; F80-Q82 VanDerWaalsContact C-N 3.26Å; F80-A83 WeakPolarHBondContact CA-O 3.41Å; F80-I86 HydrophobicContact CD1-CG1 4.08Å; F80-I86 HydrophobicContact CE1-CD1 4.45Å; F80-I86 HydrophobicContact CE1-CG1 3.55Å; F80-I86 HydrophobicContact CZ-CG1 4.12Å; F80-W122 HydrophobicContact CD2-CD2 4.28Å; F80-W122 HydrophobicContact CD2-CE3 4.13Å; F80-W122 HydrophobicContact CD2-CH2 4.14Å; F80-W122 HydrophobicContact CD2-CZ2 4.31Å; F80-W122 HydrophobicContact CD2-CZ3 4.05Å; F80-W122 AromaticContact CE2-CD2 3.72Å; F80-W122 HydrophobicContact CE2-CD2 3.72Å; F80-W122 AromaticContact CE2-CE3 3.43Å; F80-W122 HydrophobicContact CE2-CE3 3.43Å; F80-W122 VanDerWaalsContact CE2-CE3 3.43Å; F80-W122 HydrophobicContact CE2-CG 4.32Å; F80-W122 HydrophobicContact CE2-CH2 4.24Å; F80-W122 AromaticContact CE2-CZ3 3.71Å; F80-W122 HydrophobicContact CE2-CZ3 3.71Å; F80-W122 HydrophobicContact CZ-CD2 4.47Å; F80-W122 HydrophobicContact CZ-CE3 4.34Å; F80-R125 HydrophobicContact CE1-CB 3.57Å; F80-R125 HydrophobicContact CE1-CG 4.29Å; F80-R125 HydrophobicContact CZ-CB 3.8Å; F80-F126 HydrophobicContact CE2-CE2 4.44Å; F80-F126 HydrophobicContact CE2-CZ 4.19Å; F80-F126 HydrophobicContact CZ-CE1 4.32Å; F80-F126 AromaticContact CZ-CE2 3.86Å; F80-F126 HydrophobicContact CZ-CE2 3.86Å; F80-F126 AromaticContact CZ-CZ 3.7Å; F80-F126 HydrophobicContact CZ-CZ 3.7Å
81S75.1Confident83.5Confident66 Ų6626.1 Ų26.146%0.46215%0.147SC..THydrogen-bonded Turntrans-69.6-24.4167.963.90000112.8Y6 N76 A77 L79Y6-S81 WeakPolarHBondContact CD2-O 3.44Å; Y6-S81 WeakPolarHBondContact CE2-O 3.49Å; N76-S81 PolarHBondContact O-N 3.35Å; A77-S81 WeakPolarHBondContact O-CB 3.26Å; A77-S81 PolarHBondContact O-OG 2.88Å; L79-S81 VanDerWaalsContact C-N 3.27Å; L79-S81 PolarHBondContact O-N 2.85Å
82Q76.8Confident83.7Confident80 Ų8027.6 Ų27.637%0.37415%0.154SC..THydrogen-bonded Turntrans-102.6-30.1-178-59.3-177.220.600112.2H7 C78 L79 F80H7-Q82 WeakPolarHBondContact CB-O 3.43Å; H7-Q82 PolarHBondContact CD2-O 2.7Å; H7-Q82 PolarHBondContact N-O 3.4Å; C78-Q82 PolarHBondContact O-NE2 3.44Å; L79-Q82 PolarHBondContact O-N 3.27Å; F80-Q82 VanDerWaalsContact C-N 3.26Å
83A81.9Confident83.8Confident0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-145.7149.2-176.400000114.5Y6 H7 A10 L79 F80 I86Y6-A83 VanDerWaalsContact CZ-C 3.42Å; Y6-A83 PolarHBondContact OH-O 3.38Å; H7-A83 HydrophobicContact CB-CB 4.13Å; H7-A83 WeakPolarHBondContact O-CA 3.4Å; A10-A83 HydrophobicContact CB-CB 3.65Å; L79-A83 PolarHBondContact O-N 3.42Å; F80-A83 WeakPolarHBondContact CA-O 3.41Å; A83-I86 HydrophobicContact CB-CD1 4.45Å
84S82.6Confident84.1Confident11 Ų1128.9 Ų28.98%0.07716%0.159CC..EExtended strand (participates in β ladder)trans-73.8-35-179.587.40000113.7Y6 H7 H8 R125Y6-S84 VanDerWaalsContact OH-CA 3.24Å; Y6-S84 WeakPolarHBondContact OH-CA 3.39Å; Y6-S84 PolarHBondContact OH-N 3.07Å; H7-S84 PolarHBondContact O-N 2.83Å; H7-S84 VanDerWaalsContact O-N 3.11Å; H8-S84 WeakPolarHBondContact O-CB 3.49Å; H8-S84 PolarHBondContact O-N 3.21Å; H8-S84 PolarHBondContact O-OG 3.42Å; S84-R125 PolarHBondContact O-NE 3.45Å; S84-R125 VanDerWaalsContact O-NE 3.08Å
85R87.9Confident84.4Confident13 Ų1326 Ų265%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-126.2147.6-179.7-61.9-65.6-168.9-164.9-1.2110.3H8 A9 A10 S124 R125 I127 D173 F174H8-R85 PolarHBondContact O-N 2.84Å; H8-R85 VanDerWaalsContact O-N 3.14Å; A9-R85 CarbonylContact C-O 3.59Å; A9-R85 VanDerWaalsContact CA-O 3.22Å; A9-R85 WeakPolarHBondContact CA-O 3.33Å; A9-R85 HydrophobicContact CB-CB 4.23Å; A10-R85 PolarHBondContact N-O 3.04Å; R85-S124 VanDerWaalsContact CZ-O 3.27Å; R85-S124 PolarHBondContact NH1-O 2.77Å; R85-S124 PolarHBondContact NH1-OG 2.83Å; R85-R125 CarbonylContact C-O 3.55Å; R85-R125 VanDerWaalsContact CA-O 3.3Å; R85-R125 WeakPolarHBondContact CA-O 3.48Å; R85-R125 VanDerWaalsContact NH1-CA 3.31Å; R85-R125 VanDerWaalsContact NH1-N 3.17Å; R85-I127 HydrophobicContact CB-CD1 4.16Å; R85-I127 HydrophobicContact CG-CD1 4.28Å; R85-D173 PolarHBondContact NE-O 3.25Å; R85-D173 PolarHBondContact NH2-O 2.91Å; R85-F174 VanDerWaalsContact NH2-C 3.28Å; R85-F174 PolarHBondContact NH2-O 2.91Å
86I91.1Very high84.7Confident0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-113.9120.5174.6-57.3-57000108.8A10 L12 L79 F80 A83 L88 R125 F126 I127A10-I86 HydrophobicContact CB-CD1 3.93Å; A10-I86 WeakPolarHBondContact O-CA 3.25Å; L12-I86 HydrophobicContact CD1-CG2 3.45Å; L12-I86 VanDerWaalsContact CD1-CG2 3.45Å; L12-I86 HydrophobicContact CG-CG2 3.76Å; L79-I86 HydrophobicContact CB-CD1 3.72Å; L79-I86 HydrophobicContact CB-CG1 4.19Å; L79-I86 HydrophobicContact CD1-CD1 4.47Å; L79-I86 HydrophobicContact CD1-CG1 4.45Å; L79-I86 HydrophobicContact CD2-CD1 4.29Å; L79-I86 HydrophobicContact CG-CD1 4.39Å; F80-I86 HydrophobicContact CD1-CG1 4.08Å; F80-I86 HydrophobicContact CE1-CD1 4.45Å; F80-I86 HydrophobicContact CE1-CG1 3.55Å; F80-I86 HydrophobicContact CZ-CG1 4.12Å; A83-I86 HydrophobicContact CB-CD1 4.45Å; I86-L88 HydrophobicContact CG2-CD2 4.34Å; I86-R125 PolarHBondContact N-O 3.34Å; I86-F126 HydrophobicContact CB-CD1 3.88Å; I86-F126 HydrophobicContact CB-CE1 3.97Å; I86-F126 HydrophobicContact CG1-CE1 4.37Å; I86-F126 HydrophobicContact CG2-CD1 4.12Å; I86-F126 HydrophobicContact CG2-CE1 4.11Å; I86-F126 WeakPolarHBondContact O-CA 3.36Å; I86-I127 PolarHBondContact O-N 2.82Å
87V93Very high85Confident1 Ų131 Ų311%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-102.4115.9-179.2-179.70000108.7A9 A10 I11 L12 I127 V129A9-V87 HydrophobicContact CB-CG2 4.03Å; A10-V87 PolarHBondContact O-N 3.25Å; I11-V87 CarbonylContact C-O 3.54Å; I11-V87 WeakPolarHBondContact CA-O 3.49Å; I11-V87 HydrophobicContact CG1-CB 4.14Å; I11-V87 HydrophobicContact CG1-CG1 4.45Å; L12-V87 PolarHBondContact N-O 3.27Å; V87-I127 CarbonylContact C-O 3.53Å; V87-I127 VanDerWaalsContact CA-O 3.32Å; V87-I127 WeakPolarHBondContact CA-O 3.49Å; V87-I127 HydrophobicContact CG2-CB 4.23Å; V87-I127 HydrophobicContact CG2-CD1 4.29Å; V87-V129 HydrophobicContact CG1-CB 4.16Å; V87-V129 HydrophobicContact CG1-CG2 3.52Å
88L93.4Very high85.9Confident0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85.1113.6172.6-54.6-178000108.7L12 I86 I98 F101 L106 I127 V129 I147L12-L88 HydrophobicContact CB-CD2 4.16Å; L12-L88 HydrophobicContact CD1-CD2 3.81Å; L12-L88 HydrophobicContact CG-CD2 4.44Å; I86-L88 HydrophobicContact CG2-CD2 4.34Å; L88-I98 HydrophobicContact CD1-CD1 4.25Å; L88-F101 HydrophobicContact CD1-CE1 3.98Å; L88-L106 HydrophobicContact CD1-CD1 4.02Å; L88-I127 PolarHBondContact N-O 3.06Å; L88-V129 PolarHBondContact O-N 3.1Å; L88-I147 HydrophobicContact CD1-CD1 3.77Å; L88-I147 HydrophobicContact CG-CD1 4.45Å
89F92.5Very high86.4Confident4 Ų428.8 Ų28.82%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-82122173.1-178.4-99.5000109.9I11 L12 P14 Y17 A38 A39 L42 P91 V129 I131I11-F89 HydrophobicContact CG2-CB 4.04Å; L12-F89 WeakPolarHBondContact O-CB 3.32Å; L12-F89 PolarHBondContact O-N 2.84Å; P14-F89 HydrophobicContact CG-CD1 3.92Å; P14-F89 WeakPolarHBondContact CG-O 3.43Å; Y17-F89 WeakPolarHBondContact CE1-O 3.03Å; Y17-F89 PolarHBondContact OH-O 3.28Å; A38-F89 HydrophobicContact CB-CE1 3.84Å; A38-F89 HydrophobicContact CB-CZ 3.69Å; A39-F89 HydrophobicContact CB-CB 4.22Å; A39-F89 HydrophobicContact CB-CD1 4.26Å; A39-F89 HydrophobicContact CB-CG 4.16Å; L42-F89 HydrophobicContact CD2-CD2 3.73Å; L42-F89 HydrophobicContact CD2-CE2 4.16Å; F89-P91 HydrophobicContact CE1-CB 4.31Å; F89-V129 HydrophobicContact CD2-CG1 4.33Å; F89-I131 HydrophobicContact CD2-CG1 4.48Å; F89-I131 HydrophobicContact CE2-CD1 3.94Å; F89-I131 HydrophobicContact CE2-CG1 3.6Å; F89-I131 HydrophobicContact CZ-CG1 3.76Å
90I91.4Very high86.7Confident0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-121.5103.5-175.5-53.2162.5000109.3A94 I98 A128 V129 I131 V134 V136I90-A94 HydrophobicContact CG2-CB 4.42Å; I90-I98 HydrophobicContact CD1-CD1 3.97Å; I90-I98 HydrophobicContact CD1-CG1 3.78Å; I90-I98 HydrophobicContact CG1-CD1 4.1Å; I90-I98 HydrophobicContact CG1-CG1 4.16Å; I90-I98 HydrophobicContact CG2-CB 4.41Å; I90-I98 HydrophobicContact CG2-CG2 4.28Å; I90-A128 HydrophobicContact CD1-CB 3.75Å; I90-V129 PolarHBondContact N-O 2.78Å; I90-I131 PolarHBondContact O-N 3.08Å; I90-V134 HydrophobicContact CG2-CG1 4.03Å; I90-V134 HydrophobicContact CG2-CG2 3.9Å; I90-V136 HydrophobicContact CD1-CG1 4.34Å; I90-V136 HydrophobicContact CD1-CG2 4.08Å
91P88.4Confident87.1Confident4 Ų433 Ų333%0.02617%0.174CC..  trans-73.4172.1173.232.7-37.7000111.8P14 H35 F89 D93 A94 V134P14-P91 HydrophobicContact CB-CG 4.4Å; P14-P91 HydrophobicContact CG-CG 3.77Å; H35-P91 VanDerWaalsContact CE1-CB 3.47Å; H35-P91 WeakPolarHBondContact CE1-CB 3.38Å; F89-P91 HydrophobicContact CE1-CB 4.31Å; P91-D93 VanDerWaalsContact C-N 3.25Å; P91-D93 WeakPolarHBondContact CB-OD1 3.48Å; P91-D93 VanDerWaalsContact CG-OD1 3.29Å; P91-D93 WeakPolarHBondContact CG-OD1 3.19Å; P91-D93 PolarHBondContact O-N 3.26Å; P91-A94 HydrophobicContact CG-CB 3.6Å; P91-A94 PolarHBondContact O-N 3.06Å; P91-V134 WeakPolarHBondContact O-CG2 3.4Å
92D85.3Confident87.8Confident89 Ų8930 Ų3048%0.47615%0.153SC..THydrogen-bonded Turntrans-59.8-31.2-178.256-21.2000113.9
93D83.9Confident88.3Confident99 Ų9934.4 Ų34.453%0.52917%0.166SC..THydrogen-bonded Turntrans-94.4-3.4-177.363.9-12.4000115H35 P91 A95H35-D93 IonicContact CE1-OD1 3.16Å; H35-D93 PolarHBondContact CE1-OD1 2.95Å; H35-D93 IonicContact CE1-OD2 3.56Å; H35-D93 IonicContact NE2-OD1 3.03Å; H35-D93 PolarHBondContact NE2-OD1 3.16Å; H35-D93 IonicContact NE2-OD2 2.98Å; H35-D93 PolarHBondContact NE2-OD2 3.29Å; P91-D93 VanDerWaalsContact C-N 3.25Å; P91-D93 WeakPolarHBondContact CB-OD1 3.48Å; P91-D93 VanDerWaalsContact CG-OD1 3.29Å; P91-D93 WeakPolarHBondContact CG-OD1 3.19Å; P91-D93 PolarHBondContact O-N 3.26Å; D93-A95 PolarHBondContact O-N 3.33Å
94A86.3Confident88.6Confident1 Ų139.6 Ų39.61%0.00819%0.19CC..  trans-94.117.4-17500000115.1Y17 I90 P91 E96 H97 I98Y17-A94 HydrophobicContact CE2-CB 4.27Å; I90-A94 HydrophobicContact CG2-CB 4.42Å; P91-A94 HydrophobicContact CG-CB 3.6Å; P91-A94 PolarHBondContact O-N 3.06Å; A94-E96 VanDerWaalsContact C-N 3.33Å; A94-E96 PolarHBondContact O-N 3.25Å; A94-H97 PolarHBondContact O-N 3.16Å; A94-I98 WeakPolarHBondContact O-CG2 3.17Å; A94-I98 PolarHBondContact O-N 2.98Å
95A87.1Confident88.9Confident33 Ų3339.4 Ų39.427%0.27319%0.189SC..Hα-helixtrans-57.5-41.7-176.300000113.4D93 I98 T99 V134D93-A95 PolarHBondContact O-N 3.33Å; A95-I98 WeakPolarHBondContact O-CG2 3.49Å; A95-T99 WeakPolarHBondContact O-CB 3.24Å; A95-T99 PolarHBondContact O-N 3.43Å; A95-T99 PolarHBondContact O-OG1 3.47Å; A95-V134 HydrophobicContact CB-CG2 3.97Å
96E86.1Confident89Confident138 Ų13838.8 Ų38.865%0.64519%0.186SC*.Hα-helixtrans-66.4-45.2178.1-173.5179.6178.900111A94 T99 Y100A94-E96 VanDerWaalsContact C-N 3.33Å; A94-E96 PolarHBondContact O-N 3.25Å; E96-T99 PolarHBondContact O-N 2.87Å; E96-Y100 PolarHBondContact O-N 2.96Å
97H87.2Confident88.9Confident18 Ų1841.1 Ų41.18%0.08320%0.197CC..Hα-helixtrans-64.6-45.6-176.7-50.1156000111.5Y17 A18 C21 Y22 Y32 A94 T99 Y100 F101Y17-H97 HydrophobicContact CD2-CB 3.85Å; Y17-H97 HydrophobicContact CE2-CB 3.71Å; A18-H97 HydrophobicContact CB-CB 4.47Å; C21-H97 PolarHBondContact SG-O 3.12Å; Y22-H97 AromaticContact CE2-CD2 3.49Å; Y22-H97 VanDerWaalsContact CE2-CD2 3.49Å; Y22-H97 WeakPolarHBondContact CE2-CD2 3.04Å; Y22-H97 AromaticContact CE2-NE2 3.31Å; Y22-H97 VanDerWaalsContact CE2-NE2 3.31Å; Y22-H97 WeakPolarHBondContact CE2-NE2 3.34Å; Y22-H97 AromaticContact CZ-CD2 3.87Å; Y22-H97 AromaticContact CZ-NE2 3.63Å; Y22-H97 PolarHBondContact OH-CD2 2.94Å; Y22-H97 PolarHBondContact OH-NE2 3.03Å; Y32-H97 PolarHBondContact OH-CE1 3.03Å; A94-H97 PolarHBondContact O-N 3.16Å; H97-T99 VanDerWaalsContact C-N 3.31Å; H97-T99 PolarHBondContact O-N 3.33Å; H97-Y100 PolarHBondContact O-N 3.41Å; H97-F101 WeakPolarHBondContact O-CB 3.49Å; H97-F101 PolarHBondContact O-N 3.04Å
98I90Very high88.7Confident0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-67.9-34.7179.3-166.463.2000111.3L88 I90 A94 A95 F101 S102L88-I98 HydrophobicContact CD1-CD1 4.25Å; I90-I98 HydrophobicContact CD1-CD1 3.97Å; I90-I98 HydrophobicContact CD1-CG1 3.78Å; I90-I98 HydrophobicContact CG1-CD1 4.1Å; I90-I98 HydrophobicContact CG1-CG1 4.16Å; I90-I98 HydrophobicContact CG2-CB 4.41Å; I90-I98 HydrophobicContact CG2-CG2 4.28Å; A94-I98 WeakPolarHBondContact O-CG2 3.17Å; A94-I98 PolarHBondContact O-N 2.98Å; A95-I98 WeakPolarHBondContact O-CG2 3.49Å; I98-F101 HydrophobicContact CD1-CD1 4.17Å; I98-S102 WeakPolarHBondContact O-CB 3.35Å; I98-S102 PolarHBondContact O-N 2.93Å; I98-S102 PolarHBondContact O-OG 3.37Å
99T88.6Confident88.5Confident42 Ų4243 Ų4326%0.25821%0.209SC..Hα-helixtrans-65.4-46.2177.3-60.90000111.1A95 E96 H97 S102 R103A95-T99 WeakPolarHBondContact O-CB 3.24Å; A95-T99 PolarHBondContact O-N 3.43Å; A95-T99 PolarHBondContact O-OG1 3.47Å; E96-T99 PolarHBondContact O-N 2.87Å; H97-T99 VanDerWaalsContact C-N 3.31Å; H97-T99 PolarHBondContact O-N 3.33Å; T99-S102 PolarHBondContact O-N 3.1Å; T99-R103 WeakPolarHBondContact O-CG 3.23Å; T99-R103 PolarHBondContact O-N 2.93Å
100Y89Confident88.4Confident94 Ų9443 Ų4337%0.36921%0.209SC..Hα-helixtrans-62.5-50.7175.4-177.6-81.6000111.1Q20 C21 E96 H97 S102 R103 H104Q20-Y100 WeakPolarHBondContact O-CE1 3.43Å; C21-Y100 HydrophobicContact CB-CD1 4.05Å; C21-Y100 HydrophobicContact CB-CG 4.27Å; C21-Y100 WeakPolarHBondContact SG-CD1 3.28Å; E96-Y100 PolarHBondContact O-N 2.96Å; H97-Y100 PolarHBondContact O-N 3.41Å; Y100-S102 VanDerWaalsContact C-N 3.28Å; Y100-S102 PolarHBondContact O-N 3.22Å; Y100-R103 PolarHBondContact O-N 2.9Å; Y100-R103 VanDerWaalsContact O-N 3.09Å; Y100-H104 HydrophobicContact CD1-CB 4.37Å; Y100-H104 AromaticContact CD1-CD2 3.74Å; Y100-H104 AromaticContact CD2-CD2 3.43Å; Y100-H104 VanDerWaalsContact CD2-CD2 3.43Å; Y100-H104 WeakPolarHBondContact CD2-CD2 3.47Å; Y100-H104 AromaticContact CD2-NE2 3.74Å; Y100-H104 HydrophobicContact CE1-CB 3.96Å; Y100-H104 AromaticContact CE1-CD2 3.59Å; Y100-H104 AromaticContact CE1-CG 3.91Å; Y100-H104 AromaticContact CE2-CD2 3.29Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.38Å; Y100-H104 AromaticContact CE2-NE2 3.43Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.31Å; Y100-H104 AromaticContact CG-CD2 3.66Å; Y100-H104 AromaticContact CZ-CD2 3.37Å; Y100-H104 AromaticContact CZ-CG 3.82Å; Y100-H104 AromaticContact CZ-NE2 3.86Å; Y100-H104 PolarHBondContact O-CD2 3.47Å; Y100-H104 VanDerWaalsContact O-CD2 3.27Å; Y100-H104 PolarHBondContact O-N 3.01Å
101F90.5Very high88.2Confident0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-58.3-39.7178.9-180-105000112.7Y17 Q20 W69 L88 H97 I98 R103 C105 L106Y17-F101 VanDerWaalsContact CB-CG 3.45Å; Y17-F101 HydrophobicContact CG-CG 4.37Å; Q20-F101 HydrophobicContact CB-CD2 4.36Å; Q20-F101 HydrophobicContact CG-CD2 4.07Å; Q20-F101 HydrophobicContact CG-CE2 4.29Å; W69-F101 AromaticContact CD2-CE2 3.73Å; W69-F101 HydrophobicContact CD2-CE2 3.73Å; W69-F101 AromaticContact CD2-CZ 3.74Å; W69-F101 HydrophobicContact CD2-CZ 3.74Å; W69-F101 AromaticContact CE2-CE2 3.58Å; W69-F101 AromaticContact CE2-CZ 3.55Å; W69-F101 HydrophobicContact CE3-CE2 4.2Å; W69-F101 AromaticContact CE3-CZ 3.8Å; W69-F101 HydrophobicContact CE3-CZ 3.8Å; W69-F101 HydrophobicContact CG-CE2 4.09Å; W69-F101 HydrophobicContact CH2-CE1 4.45Å; W69-F101 HydrophobicContact CH2-CE2 4.45Å; W69-F101 AromaticContact CH2-CZ 3.59Å; W69-F101 HydrophobicContact CH2-CZ 3.59Å; W69-F101 AromaticContact CZ2-CE2 3.98Å; W69-F101 HydrophobicContact CZ2-CE2 3.98Å; W69-F101 AromaticContact CZ2-CZ 3.49Å; W69-F101 HydrophobicContact CZ2-CZ 3.49Å; W69-F101 VanDerWaalsContact CZ2-CZ 3.49Å; W69-F101 AromaticContact CZ3-CZ 3.73Å; W69-F101 HydrophobicContact CZ3-CZ 3.73Å; W69-F101 AromaticContact NE1-CE2 3.78Å; L88-F101 HydrophobicContact CD1-CE1 3.98Å; H97-F101 WeakPolarHBondContact O-CB 3.49Å; H97-F101 PolarHBondContact O-N 3.04Å; I98-F101 HydrophobicContact CD1-CD1 4.17Å; F101-R103 VanDerWaalsContact C-N 3.33Å; F101-R103 PolarHBondContact O-N 2.96Å; F101-C105 HydrophobicContact CD2-CB 3.63Å; F101-C105 VanDerWaalsContact CD2-SG 3.59Å; F101-C105 HydrophobicContact CE2-CB 3.45Å; F101-C105 VanDerWaalsContact CE2-CB 3.45Å; F101-C105 HydrophobicContact CG-CB 4.3Å; F101-C105 HydrophobicContact CZ-CB 3.99Å; F101-C105 WeakPolarHBondContact O-CA 3.4Å; F101-C105 VanDerWaalsContact O-CB 3.29Å; F101-C105 WeakPolarHBondContact O-CB 3.42Å; F101-C105 PolarHBondContact O-N 3.27Å; F101-L106 HydrophobicContact CD1-CD1 3.99Å; F101-L106 HydrophobicContact CD1-CG 3.92Å; F101-L106 HydrophobicContact CE1-CD1 3.81Å; F101-L106 HydrophobicContact CE1-CD2 3.75Å; F101-L106 HydrophobicContact CE1-CG 3.53Å; F101-L106 HydrophobicContact CZ-CD2 4.18Å; F101-L106 HydrophobicContact CZ-CG 4.27Å; F101-L106 PolarHBondContact O-N 3.25Å; F101-L106 VanDerWaalsContact O-N 3.11Å
102S90.2Very high88.2Confident4 Ų450.1 Ų50.13%0.02824%0.24CC..Iπ-helixtrans-62.4-41.2177.1-60.70000111.8I98 T99 Y100 H107 F146I98-S102 WeakPolarHBondContact O-CB 3.35Å; I98-S102 PolarHBondContact O-N 2.93Å; I98-S102 PolarHBondContact O-OG 3.37Å; T99-S102 PolarHBondContact O-N 3.1Å; Y100-S102 VanDerWaalsContact C-N 3.28Å; Y100-S102 PolarHBondContact O-N 3.22Å; S102-H107 VanDerWaalsContact O-CB 3.28Å; S102-H107 WeakPolarHBondContact O-CB 3.4Å; S102-H107 PolarHBondContact O-N 2.83Å; S102-F146 VanDerWaalsContact OG-CE2 3.29Å; S102-F146 WeakPolarHBondContact OG-CE2 3.3Å
103R88.3Confident88.1Confident172 Ų17248.2 Ų48.265%0.64923%0.234SC*.Iπ-helixtrans-76.6-39-179.1-70.7177.8-178.8167.22.1113.4T99 Y100 F101 P108T99-R103 WeakPolarHBondContact O-CG 3.23Å; T99-R103 PolarHBondContact O-N 2.93Å; Y100-R103 PolarHBondContact O-N 2.9Å; Y100-R103 VanDerWaalsContact O-N 3.09Å; F101-R103 VanDerWaalsContact C-N 3.33Å; F101-R103 PolarHBondContact O-N 2.96Å; R103-P108 WeakPolarHBondContact O-CD 3.48Å
104H87.2Confident88.1Confident108 Ų10850 Ų5050%0.523%0.233SC..Iπ-helixtrans-97.1-22.5-171.4-67.7-73.4000114Y100Y100-H104 HydrophobicContact CD1-CB 4.37Å; Y100-H104 AromaticContact CD1-CD2 3.74Å; Y100-H104 AromaticContact CD2-CD2 3.43Å; Y100-H104 VanDerWaalsContact CD2-CD2 3.43Å; Y100-H104 WeakPolarHBondContact CD2-CD2 3.47Å; Y100-H104 AromaticContact CD2-NE2 3.74Å; Y100-H104 HydrophobicContact CE1-CB 3.96Å; Y100-H104 AromaticContact CE1-CD2 3.59Å; Y100-H104 AromaticContact CE1-CG 3.91Å; Y100-H104 AromaticContact CE2-CD2 3.29Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.38Å; Y100-H104 AromaticContact CE2-NE2 3.43Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.31Å; Y100-H104 AromaticContact CG-CD2 3.66Å; Y100-H104 AromaticContact CZ-CD2 3.37Å; Y100-H104 AromaticContact CZ-CG 3.82Å; Y100-H104 AromaticContact CZ-NE2 3.86Å; Y100-H104 PolarHBondContact O-CD2 3.47Å; Y100-H104 VanDerWaalsContact O-CD2 3.27Å; Y100-H104 PolarHBondContact O-N 3.01Å
105C89.1Confident87.8Confident7 Ų757.4 Ų57.45%0.04727%0.273CS..Iπ-helixtrans-117.7-56-177.9-55.20000111.9W69 F101 L109W69-C105 HydrophobicContact CB-CB 3.96Å; W69-C105 HydrophobicContact CD2-CB 4.35Å; W69-C105 HydrophobicContact CE3-CB 4.41Å; W69-C105 HydrophobicContact CG-CB 4.16Å; F101-C105 HydrophobicContact CD2-CB 3.63Å; F101-C105 VanDerWaalsContact CD2-SG 3.59Å; F101-C105 HydrophobicContact CE2-CB 3.45Å; F101-C105 VanDerWaalsContact CE2-CB 3.45Å; F101-C105 HydrophobicContact CG-CB 4.3Å; F101-C105 HydrophobicContact CZ-CB 3.99Å; F101-C105 WeakPolarHBondContact O-CA 3.4Å; F101-C105 VanDerWaalsContact O-CB 3.29Å; F101-C105 WeakPolarHBondContact O-CB 3.42Å; F101-C105 PolarHBondContact O-N 3.27Å; C105-L109 WeakPolarHBondContact O-CB 3.3Å; C105-L109 PolarHBondContact O-N 3.14Å
106L89.9Confident87.6Confident0 Ų062 Ų620%029%0.288CS..Iπ-helixtrans-71.6-39.8-175.7-63.7178.7000113W69 L88 F101 L109 L110 F126 L140 F146 I147W69-L106 HydrophobicContact CZ3-CD2 4.17Å; L88-L106 HydrophobicContact CD1-CD1 4.02Å; F101-L106 HydrophobicContact CD1-CD1 3.99Å; F101-L106 HydrophobicContact CD1-CG 3.92Å; F101-L106 HydrophobicContact CE1-CD1 3.81Å; F101-L106 HydrophobicContact CE1-CD2 3.75Å; F101-L106 HydrophobicContact CE1-CG 3.53Å; F101-L106 HydrophobicContact CZ-CD2 4.18Å; F101-L106 HydrophobicContact CZ-CG 4.27Å; F101-L106 PolarHBondContact O-N 3.25Å; F101-L106 VanDerWaalsContact O-N 3.11Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-L110 HydrophobicContact CB-CD1 4.38Å; L106-L110 HydrophobicContact CD2-CD1 4.46Å; L106-L110 VanDerWaalsContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 2.84Å; L106-F126 HydrophobicContact CD2-CE1 4.48Å; L106-L140 HydrophobicContact CB-CD2 3.91Å; L106-F146 HydrophobicContact CD1-CE2 4.12Å; L106-F146 HydrophobicContact CD1-CZ 4.25Å; L106-I147 HydrophobicContact CD1-CD1 4.4Å
107H90.5Very high87.3Confident50 Ų5057.1 Ų57.123%0.23128%0.276CS..Hα-helixtrans-63.5-50.5-179.1170.9-85.3000112.5S102 L109 L110 C111 L140 N141S102-H107 VanDerWaalsContact O-CB 3.28Å; S102-H107 WeakPolarHBondContact O-CB 3.4Å; S102-H107 PolarHBondContact O-N 2.83Å; H107-L109 PolarHBondContact O-N 3.07Å; H107-L110 PolarHBondContact O-N 3.36Å; H107-C111 VanDerWaalsContact CD2-SG 3.52Å; H107-C111 VanDerWaalsContact O-CB 3.24Å; H107-C111 WeakPolarHBondContact O-CB 3.38Å; H107-C111 PolarHBondContact O-N 3.34Å; H107-L140 PolarHBondContact CD2-O 2.97Å; H107-N141 PolarHBondContact NE2-OD1 3.22Å
108P88.1Confident87.3Confident33 Ų3356.3 Ų56.321%0.21427%0.272CS..Hα-helixtrans-58.3-34.7173.5-25.836000113.2R103 R112R103-P108 WeakPolarHBondContact O-CD 3.48Å; P108-R112 WeakPolarHBondContact O-CB 3.44Å; P108-R112 WeakPolarHBondContact O-CD 3.4Å; P108-R112 WeakPolarHBondContact O-CG 3.47Å
109L89.6Confident87.1Confident8 Ų858.7 Ų58.74%0.04228%0.281CS..Hα-helixtrans-73.5-42.9-179.7-17865.2000112.8W69 I75 C105 L106 H107 G118 R119 W122 F126W69-L109 HydrophobicContact CE3-CD2 4.45Å; W69-L109 HydrophobicContact CZ3-CD2 4.39Å; I75-L109 HydrophobicContact CD1-CD1 3.82Å; I75-L109 HydrophobicContact CD1-CD2 3.5Å; I75-L109 HydrophobicContact CD1-CG 4.27Å; C105-L109 WeakPolarHBondContact O-CB 3.3Å; C105-L109 PolarHBondContact O-N 3.14Å; L106-L109 PolarHBondContact O-N 3.38Å; H107-L109 PolarHBondContact O-N 3.07Å; L109-G118 CarbonylContact O-C 3.55Å; L109-G118 WeakPolarHBondContact O-CA 3.24Å; L109-R119 CarbonylContact O-C 3.5Å; L109-R119 PolarHBondContact O-N 3.41Å; L109-W122 HydrophobicContact CD1-CE3 4.17Å; L109-W122 HydrophobicContact CD1-CZ3 4.15Å; L109-F126 HydrophobicContact CD2-CE2 4Å; L109-F126 HydrophobicContact CD2-CZ 3.89Å
110L90.3Very high87Confident3 Ų359.3 Ų59.32%0.01629%0.286CS..Hα-helixtrans-104.1-12.5-167.3-60.9178.9000114.1L106 H107 P120 W122 F126 L140 I147L106-L110 HydrophobicContact CB-CD1 4.38Å; L106-L110 HydrophobicContact CD2-CD1 4.46Å; L106-L110 VanDerWaalsContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 2.84Å; H107-L110 PolarHBondContact O-N 3.36Å; L110-P120 VanDerWaalsContact O-CA 3.31Å; L110-P120 WeakPolarHBondContact O-CA 3.06Å; L110-P120 WeakPolarHBondContact O-CB 3.43Å; L110-W122 HydrophobicContact CD2-CB 4.03Å; L110-F126 HydrophobicContact CD1-CD2 4.17Å; L110-F126 HydrophobicContact CD2-CD2 4.15Å; L110-F126 HydrophobicContact CD2-CE2 4.05Å; L110-L140 HydrophobicContact CB-CD1 4.01Å; L110-L140 HydrophobicContact CD1-CD1 3.72Å; L110-L140 HydrophobicContact CG-CD1 4.49Å; L110-I147 HydrophobicContact CD1-CG2 3.78Å
111C87.8Confident86.7Confident33 Ų3357.4 Ų57.422%0.22328%0.28CS..Hα-helixtrans-111.6-16-177.6-57.40000113.9H107 N141H107-C111 VanDerWaalsContact CD2-SG 3.52Å; H107-C111 VanDerWaalsContact O-CB 3.24Å; H107-C111 WeakPolarHBondContact O-CB 3.38Å; H107-C111 PolarHBondContact O-N 3.34Å; C111-N141 HydrophobicContact CB-CB 4.34Å
112R87Confident86.6Confident120 Ų12058.1 Ų58.145%0.45328%0.283SS..SBendtrans-83.2155.9178-67.7-175.2178.2179.8-0.7111.5P108 Q116 P120P108-R112 WeakPolarHBondContact O-CB 3.44Å; P108-R112 WeakPolarHBondContact O-CD 3.4Å; P108-R112 WeakPolarHBondContact O-CG 3.47Å; R112-Q116 HydrophobicContact CB-CB 4.09Å; R112-P120 WeakPolarHBondContact O-CD 3.14Å
113S84Confident86.4Confident49 Ų4960 Ų6034%0.34329%0.291SS..  trans-67162173.967.40000111.8D115 Q116 G118S113-D115 PolarHBondContact O-N 2.83Å; S113-Q116 PolarHBondContact O-N 3.42Å; S113-Q116 VanDerWaalsContact O-N 3.11Å; S113-Q116 WeakPolarHBondContact OG-CG 3.25Å; S113-G118 WeakPolarHBondContact O-CA 3.46Å; S113-G118 PolarHBondContact O-N 3.27Å
114R82.8Confident86.2Confident138 Ų13854.5 Ų54.552%0.52128%0.279SS..G310 helixtrans-56.9-37.6177.5-163.3178.5173.5156.3-4.5112Q116 G117 G118 R119 E179R114-Q116 VanDerWaalsContact C-N 3.3Å; R114-Q116 PolarHBondContact O-N 3.12Å; R114-G117 PolarHBondContact O-N 2.82Å; R114-G117 VanDerWaalsContact O-N 3.11Å; R114-G118 WeakPolarHBondContact CA-O 3.5Å; R114-R119 VanDerWaalsContact CG-NH1 3.3Å; R114-E179 IonicContact NH1-OE1 3.03Å
115D81.3Confident86.2Confident156 Ų15650.4 Ų50.483%0.83426%0.259SS*.G310 helixtrans-68.3-28.7-179.6-44-42.6000112.5S113 G117S113-D115 PolarHBondContact O-N 2.83Å; D115-G117 PolarHBondContact O-N 3.49Å
116Q82.6Confident86.4Confident128 Ų12850 Ų5060%0.59826%0.257SS*.G310 helixtrans-87.611.6175.3-66177.84.100112.8R112 S113 R114 G118R112-Q116 HydrophobicContact CB-CB 4.09Å; S113-Q116 PolarHBondContact O-N 3.42Å; S113-Q116 VanDerWaalsContact O-N 3.11Å; S113-Q116 WeakPolarHBondContact OG-CG 3.25Å; R114-Q116 VanDerWaalsContact C-N 3.3Å; R114-Q116 PolarHBondContact O-N 3.12Å; Q116-G118 VanDerWaalsContact C-N 3.32Å
117G80.5Confident86.5Confident37 Ų3750.1 Ų50.138%0.38126%0.257SS..THydrogen-bonded Turntrans83.50.6-177.500000115.1S72 R114 D115S72-G117 PolarHBondContact OG-O 3.44Å; R114-G117 PolarHBondContact O-N 2.82Å; R114-G117 VanDerWaalsContact O-N 3.11Å; D115-G117 PolarHBondContact O-N 3.49Å
118G85.5Confident86.6Confident0 Ų047.8 Ų47.80%025%0.246CC..  trans-72.6161.7176.600000113.4L109 S113 R114 Q116L109-G118 CarbonylContact O-C 3.55Å; L109-G118 WeakPolarHBondContact O-CA 3.24Å; S113-G118 WeakPolarHBondContact O-CA 3.46Å; S113-G118 PolarHBondContact O-N 3.27Å; R114-G118 WeakPolarHBondContact CA-O 3.5Å; Q116-G118 VanDerWaalsContact C-N 3.32Å
119R87.4Confident86.8Confident50 Ų5046.2 Ų46.219%0.18924%0.236CC..  trans-141.367.6178.1-64.8-68.3-178.1-94.13.6109.6L109 R114 E121 W122L109-R119 CarbonylContact O-C 3.5Å; L109-R119 PolarHBondContact O-N 3.41Å; R114-R119 VanDerWaalsContact CG-NH1 3.3Å; R119-E121 WeakPolarHBondContact CA-OE2 3.45Å; R119-E121 WeakPolarHBondContact CD-OE1 3.18Å; R119-E121 PolarHBondContact O-N 3.43Å; R119-W122 HydrophobicContact CB-CB 4.26Å; R119-W122 HydrophobicContact CB-CD2 3.45Å; R119-W122 VanDerWaalsContact CB-CD2 3.45Å; R119-W122 HydrophobicContact CB-CE3 3.63Å; R119-W122 HydrophobicContact CB-CG 3.74Å; R119-W122 HydrophobicContact CB-CZ2 4.38Å; R119-W122 HydrophobicContact CB-CZ3 4.18Å; R119-W122 HydrophobicContact CG-CD2 3.88Å; R119-W122 HydrophobicContact CG-CE3 3.91Å; R119-W122 HydrophobicContact CG-CH2 3.91Å; R119-W122 HydrophobicContact CG-CZ2 3.87Å; R119-W122 HydrophobicContact CG-CZ3 3.94Å; R119-W122 WeakPolarHBondContact O-CB 3.49Å; R119-W122 PolarHBondContact O-N 3.45Å
120P85.2Confident87Confident56 Ų5645.8 Ų45.836%0.36423%0.234SC..G310 helixtrans-57.8-29.4-17924.5-34.3000113.1L110 R112 W122 H123L110-P120 VanDerWaalsContact O-CA 3.31Å; L110-P120 WeakPolarHBondContact O-CA 3.06Å; L110-P120 WeakPolarHBondContact O-CB 3.43Å; R112-P120 WeakPolarHBondContact O-CD 3.14Å; P120-W122 PolarHBondContact O-N 2.86Å; P120-H123 VanDerWaalsContact O-CB 3.23Å; P120-H123 WeakPolarHBondContact O-CB 3.44Å; P120-H123 PolarHBondContact O-N 3.47Å; P120-H123 VanDerWaalsContact O-N 3.09Å
121E82.9Confident86.9Confident54 Ų5446.1 Ų46.125%0.25224%0.236SC..G310 helixtrans-63.9-19.4175.970-78.8-173.300113.9R119 H123 W175 P178R119-E121 WeakPolarHBondContact CA-OE2 3.45Å; R119-E121 WeakPolarHBondContact CD-OE1 3.18Å; R119-E121 PolarHBondContact O-N 3.43Å; E121-H123 PolarHBondContact O-N 2.9Å; E121-W175 HydrophobicContact CG-CZ2 4.18Å; E121-W175 PolarHBondContact O-NE1 3.01Å; E121-P178 HydrophobicContact CB-CG 3.7Å
122W87.9Confident86.7Confident15 Ų1545.5 Ų45.56%0.05724%0.235CC..G310 helixtrans-78.3-4.4175.2-67.3-1.8000113.4S72 I75 N76 F80 L109 L110 R119 P120 S124 R125 F126S72-W122 VanDerWaalsContact O-CH2 3.25Å; S72-W122 WeakPolarHBondContact O-CH2 3.33Å; I75-W122 HydrophobicContact CB-CZ3 4.11Å; I75-W122 HydrophobicContact CG2-CZ3 3.95Å; N76-W122 HydrophobicContact CB-CH2 3.85Å; N76-W122 HydrophobicContact CB-CZ2 4.19Å; F80-W122 HydrophobicContact CD2-CD2 4.28Å; F80-W122 HydrophobicContact CD2-CE3 4.13Å; F80-W122 HydrophobicContact CD2-CH2 4.14Å; F80-W122 HydrophobicContact CD2-CZ2 4.31Å; F80-W122 HydrophobicContact CD2-CZ3 4.05Å; F80-W122 AromaticContact CE2-CD2 3.72Å; F80-W122 HydrophobicContact CE2-CD2 3.72Å; F80-W122 AromaticContact CE2-CE3 3.43Å; F80-W122 HydrophobicContact CE2-CE3 3.43Å; F80-W122 VanDerWaalsContact CE2-CE3 3.43Å; F80-W122 HydrophobicContact CE2-CG 4.32Å; F80-W122 HydrophobicContact CE2-CH2 4.24Å; F80-W122 AromaticContact CE2-CZ3 3.71Å; F80-W122 HydrophobicContact CE2-CZ3 3.71Å; F80-W122 HydrophobicContact CZ-CD2 4.47Å; F80-W122 HydrophobicContact CZ-CE3 4.34Å; L109-W122 HydrophobicContact CD1-CE3 4.17Å; L109-W122 HydrophobicContact CD1-CZ3 4.15Å; L110-W122 HydrophobicContact CD2-CB 4.03Å; R119-W122 HydrophobicContact CB-CB 4.26Å; R119-W122 HydrophobicContact CB-CD2 3.45Å; R119-W122 VanDerWaalsContact CB-CD2 3.45Å; R119-W122 HydrophobicContact CB-CE3 3.63Å; R119-W122 HydrophobicContact CB-CG 3.74Å; R119-W122 HydrophobicContact CB-CZ2 4.38Å; R119-W122 HydrophobicContact CB-CZ3 4.18Å; R119-W122 HydrophobicContact CG-CD2 3.88Å; R119-W122 HydrophobicContact CG-CE3 3.91Å; R119-W122 HydrophobicContact CG-CH2 3.91Å; R119-W122 HydrophobicContact CG-CZ2 3.87Å; R119-W122 HydrophobicContact CG-CZ3 3.94Å; R119-W122 WeakPolarHBondContact O-CB 3.49Å; R119-W122 PolarHBondContact O-N 3.45Å; P120-W122 PolarHBondContact O-N 2.86Å; W122-S124 VanDerWaalsContact C-N 3.27Å; W122-S124 PolarHBondContact O-N 2.86Å; W122-R125 WeakPolarHBondContact O-CA 3.22Å; W122-R125 VanDerWaalsContact O-CB 3.3Å; W122-R125 WeakPolarHBondContact O-CB 3.36Å; W122-R125 PolarHBondContact O-N 3.22Å; W122-F126 HydrophobicContact CB-CE2 4.24Å; W122-F126 WeakPolarHBondContact O-CD2 3.26Å
123H86.1Confident86.6Confident43 Ų4345.3 Ų45.320%0.19925%0.252CS..G310 helixtrans-48.4-48-177.8-178.5-79.7000112.7P120 E121 R125 F126 P145 F146P120-H123 VanDerWaalsContact O-CB 3.23Å; P120-H123 WeakPolarHBondContact O-CB 3.44Å; P120-H123 PolarHBondContact O-N 3.47Å; P120-H123 VanDerWaalsContact O-N 3.09Å; E121-H123 PolarHBondContact O-N 2.9Å; H123-R125 VanDerWaalsContact C-N 3.27Å; H123-R125 PolarHBondContact O-N 3.11Å; H123-F126 PolarHBondContact O-N 3.24Å; H123-P145 PolarHBondContact NE2-O 2.92Å; H123-F146 PolarHBondContact CE1-O 3.23Å; H123-F146 PolarHBondContact NE2-O 3.35Å; H123-F146 VanDerWaalsContact NE2-O 3.12Å
124S84.4Confident86.7Confident57 Ų5743.2 Ų43.240%0.39924%0.237SC..G310 helixtrans-71.5-18.4179.162.40000113.8R85 W122 F126R85-S124 VanDerWaalsContact CZ-O 3.27Å; R85-S124 PolarHBondContact NH1-O 2.77Å; R85-S124 PolarHBondContact NH1-OG 2.83Å; W122-S124 VanDerWaalsContact C-N 3.27Å; W122-S124 PolarHBondContact O-N 2.86Å; S124-F126 PolarHBondContact O-N 3.29Å
125R88Confident86.8Confident21 Ų2144.4 Ų44.48%0.07925%0.249CC..G310 helixtrans-70.3-16.9178.2-56.6-169.292.6-179.512112.7F80 S84 R85 I86 W122 H123 W175F80-R125 HydrophobicContact CE1-CB 3.57Å; F80-R125 HydrophobicContact CE1-CG 4.29Å; F80-R125 HydrophobicContact CZ-CB 3.8Å; S84-R125 PolarHBondContact O-NE 3.45Å; S84-R125 VanDerWaalsContact O-NE 3.08Å; R85-R125 CarbonylContact C-O 3.55Å; R85-R125 VanDerWaalsContact CA-O 3.3Å; R85-R125 WeakPolarHBondContact CA-O 3.48Å; R85-R125 VanDerWaalsContact NH1-CA 3.31Å; R85-R125 VanDerWaalsContact NH1-N 3.17Å; I86-R125 PolarHBondContact N-O 3.34Å; W122-R125 WeakPolarHBondContact O-CA 3.22Å; W122-R125 VanDerWaalsContact O-CB 3.3Å; W122-R125 WeakPolarHBondContact O-CB 3.36Å; W122-R125 PolarHBondContact O-N 3.22Å; H123-R125 VanDerWaalsContact C-N 3.27Å; H123-R125 PolarHBondContact O-N 3.11Å; R125-W175 HydrophobicContact CG-CB 4.09Å; R125-W175 HydrophobicContact CG-CD2 3.95Å; R125-W175 HydrophobicContact CG-CG 3.51Å
126F91.9Very high87.2Confident0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-99137.1176.2-66.2-81.7000111.3W69 F80 I86 L106 L109 L110 W122 H123 S124 I147W69-F126 HydrophobicContact CH2-CE1 4.03Å; W69-F126 AromaticContact CZ3-CE1 3.95Å; W69-F126 HydrophobicContact CZ3-CE1 3.95Å; W69-F126 HydrophobicContact CZ3-CZ 4.14Å; F80-F126 HydrophobicContact CE2-CE2 4.44Å; F80-F126 HydrophobicContact CE2-CZ 4.19Å; F80-F126 HydrophobicContact CZ-CE1 4.32Å; F80-F126 AromaticContact CZ-CE2 3.86Å; F80-F126 HydrophobicContact CZ-CE2 3.86Å; F80-F126 AromaticContact CZ-CZ 3.7Å; F80-F126 HydrophobicContact CZ-CZ 3.7Å; I86-F126 HydrophobicContact CB-CD1 3.88Å; I86-F126 HydrophobicContact CB-CE1 3.97Å; I86-F126 HydrophobicContact CG1-CE1 4.37Å; I86-F126 HydrophobicContact CG2-CD1 4.12Å; I86-F126 HydrophobicContact CG2-CE1 4.11Å; I86-F126 WeakPolarHBondContact O-CA 3.36Å; L106-F126 HydrophobicContact CD2-CE1 4.48Å; L109-F126 HydrophobicContact CD2-CE2 4Å; L109-F126 HydrophobicContact CD2-CZ 3.89Å; L110-F126 HydrophobicContact CD1-CD2 4.17Å; L110-F126 HydrophobicContact CD2-CD2 4.15Å; L110-F126 HydrophobicContact CD2-CE2 4.05Å; W122-F126 HydrophobicContact CB-CE2 4.24Å; W122-F126 WeakPolarHBondContact O-CD2 3.26Å; H123-F126 PolarHBondContact O-N 3.24Å; S124-F126 PolarHBondContact O-N 3.29Å; F126-I147 HydrophobicContact CB-CB 4.06Å; F126-I147 HydrophobicContact CB-CD1 3.79Å; F126-I147 HydrophobicContact CB-CG2 3.72Å
127I92.1Very high87.4Confident2 Ų232.7 Ų32.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-128.6135.5176-58.6166.1000107R85 I86 V87 L88 N148 I150 L167 A170 I171R85-I127 HydrophobicContact CB-CD1 4.16Å; R85-I127 HydrophobicContact CG-CD1 4.28Å; I86-I127 PolarHBondContact O-N 2.82Å; V87-I127 CarbonylContact C-O 3.53Å; V87-I127 VanDerWaalsContact CA-O 3.32Å; V87-I127 WeakPolarHBondContact CA-O 3.49Å; V87-I127 HydrophobicContact CG2-CB 4.23Å; V87-I127 HydrophobicContact CG2-CD1 4.29Å; L88-I127 PolarHBondContact N-O 3.06Å; I127-N148 CarbonylContact C-O 3.38Å; I127-N148 WeakPolarHBondContact CA-O 3.34Å; I127-I150 HydrophobicContact CG2-CD1 3.78Å; I127-L167 HydrophobicContact CG2-CD1 4.41Å; I127-A170 HydrophobicContact CD1-CB 3.85Å; I127-A170 WeakPolarHBondContact CD1-O 3.33Å; I127-A170 HydrophobicContact CG1-CB 4.44Å; I127-I171 HydrophobicContact CD1-CG1 4.25Å
128A93.5Very high87.6Confident0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-105.1122.717300000109.7I90 F146 I147 N148 V149 I150I90-A128 HydrophobicContact CD1-CB 3.75Å; A128-F146 HydrophobicContact CB-CE1 4Å; A128-I147 HydrophobicContact CB-CD1 3.87Å; A128-I147 HydrophobicContact CB-CG1 4.09Å; A128-N148 PolarHBondContact N-O 2.81Å; A128-V149 HydrophobicContact CB-CB 4.49Å; A128-V149 HydrophobicContact CB-CG1 4.36Å; A128-V149 HydrophobicContact CB-CG2 4.17Å; A128-V149 CarbonylContact O-C 3.57Å; A128-V149 WeakPolarHBondContact O-CA 3.24Å; A128-I150 PolarHBondContact O-N 2.77Å
129V93Very high87.7Confident0 Ų043.1 Ų43.10%024%0.235CC..EExtended strand (participates in β ladder)trans-103.6106.2172.4169.30000108.2L42 V87 L88 F89 I90 I131 I150 F152 L167L42-V129 HydrophobicContact CD2-CB 4.47Å; L42-V129 HydrophobicContact CD2-CG1 3.9Å; V87-V129 HydrophobicContact CG1-CB 4.16Å; V87-V129 HydrophobicContact CG1-CG2 3.52Å; L88-V129 PolarHBondContact O-N 3.1Å; F89-V129 HydrophobicContact CD2-CG1 4.33Å; I90-V129 PolarHBondContact N-O 2.78Å; V129-I131 HydrophobicContact CG1-CD1 3.98Å; V129-I150 WeakPolarHBondContact CA-O 3.35Å; V129-F152 HydrophobicContact CG1-CD2 3.71Å; V129-F152 HydrophobicContact CG1-CE2 3.55Å; V129-F152 HydrophobicContact CG2-CE2 4.49Å; V129-L167 HydrophobicContact CG2-CD1 3.66Å; V129-L167 HydrophobicContact CG2-CD2 4.2Å
130A92Very high87.6Confident0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-100.5124.2-177.600000110.8V134 V136 V149 I150 R151 F152A130-V134 HydrophobicContact CB-CG1 3.61Å; A130-V136 HydrophobicContact CB-CG2 3.94Å; A130-V149 HydrophobicContact CB-CG1 4.19Å; A130-I150 PolarHBondContact N-O 2.84Å; A130-R151 HydrophobicContact CB-CG 4.24Å; A130-R151 WeakPolarHBondContact O-CA 3.43Å; A130-F152 PolarHBondContact O-N 2.75Å
131I88.8Confident87.4Confident9 Ų942.3 Ų42.35%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-98.9129.1178.5-51.4-55.7000110.1F89 I90 V129 F152 W157F89-I131 HydrophobicContact CD2-CG1 4.48Å; F89-I131 HydrophobicContact CE2-CD1 3.94Å; F89-I131 HydrophobicContact CE2-CG1 3.6Å; F89-I131 HydrophobicContact CZ-CG1 3.76Å; I90-I131 PolarHBondContact O-N 3.08Å; V129-I131 HydrophobicContact CG1-CD1 3.98Å; I131-F152 HydrophobicContact CD1-CB 3.73Å; I131-F152 HydrophobicContact CD1-CD2 3.87Å; I131-F152 HydrophobicContact CD1-CG 3.9Å; I131-W157 HydrophobicContact CD1-CB 3.9Å; I131-W157 HydrophobicContact CD1-CG 3.88Å; I131-W157 HydrophobicContact CG2-CB 4.5Å
132G85Confident87.2Confident21 Ų2144 Ų4422%0.21625%0.247CC..THydrogen-bonded Turntrans70-149.4178.400000113.2V134 F152G132-V134 VanDerWaalsContact C-N 3.27Å; G132-V134 PolarHBondContact O-N 2.86Å; G132-F152 PolarHBondContact N-O 3Å
133S83.3Confident86.8Confident116 Ų11650.7 Ų50.781%0.81128%0.284SS*.THydrogen-bonded Turntrans-89.227-174.359.40000114.1Q135S133-Q135 PolarHBondContact O-N 3.28Å
134V85.7Confident86.6Confident4 Ų450.5 Ų50.52%0.02429%0.286CS..  trans-62.9133.7179.964.20000111.5I90 P91 A95 A130 G132 V136 R151I90-V134 HydrophobicContact CG2-CG1 4.03Å; I90-V134 HydrophobicContact CG2-CG2 3.9Å; P91-V134 WeakPolarHBondContact O-CG2 3.4Å; A95-V134 HydrophobicContact CB-CG2 3.97Å; A130-V134 HydrophobicContact CB-CG1 3.61Å; G132-V134 VanDerWaalsContact C-N 3.27Å; G132-V134 PolarHBondContact O-N 2.86Å; V134-V136 HydrophobicContact CG1-CG2 4.13Å; V134-V136 PolarHBondContact O-N 2.84Å; V134-R151 PolarHBondContact O-NH1 3.14Å
135Q86.5Confident86.6Confident163 Ų16351.4 Ų51.476%0.76229%0.29SS*.  trans-80.6118.1172.9-65.3-173.310.100109.1S133S133-Q135 PolarHBondContact O-N 3.28Å
136V89.2Confident86.4Confident10 Ų1050.9 Ų50.96%0.06129%0.289CS..  trans-110.4142.6176.6-177.10000106.8I90 A130 V134 N138 F146 V149I90-V136 HydrophobicContact CD1-CG1 4.34Å; I90-V136 HydrophobicContact CD1-CG2 4.08Å; A130-V136 HydrophobicContact CB-CG2 3.94Å; V134-V136 HydrophobicContact CG1-CG2 4.13Å; V134-V136 PolarHBondContact O-N 2.84Å; V136-N138 PolarHBondContact O-N 3Å; V136-F146 HydrophobicContact CG1-CD1 3.76Å; V136-F146 HydrophobicContact CG1-CE1 3.31Å; V136-F146 HydrophobicContact CG1-CZ 3.97Å; V136-V149 HydrophobicContact CG1-CG2 4.25Å
137P86.4Confident86.3Confident28 Ų2851.1 Ų51.118%0.18229%0.29CS..  trans-53.4137.2176-26.935.9000112F146P137-F146 HydrophobicContact CB-CD2 4.11Å; P137-F146 HydrophobicContact CB-CE2 4.34Å; P137-F146 HydrophobicContact CG-CE2 4.49Å; P137-F146 VanDerWaalsContact O-CB 3.22Å; P137-F146 WeakPolarHBondContact O-CB 3.22Å; P137-F146 WeakPolarHBondContact O-CD1 3.45Å; P137-F146 WeakPolarHBondContact O-CG 3.36Å
138N84.8Confident86.1Confident140 Ų14055 Ų5575%0.74931%0.31SS*.SBendtrans-79.3-29.5178-66.6-23.6000112.2V136 F146V136-N138 PolarHBondContact O-N 3Å; N138-F146 WeakPolarHBondContact O-CB 3.48Å; N138-F146 PolarHBondContact O-N 2.92Å; N138-F146 VanDerWaalsContact O-N 3.11Å
139Q86.9Confident85.9Confident116 Ų11657.2 Ų57.254%0.54232%0.324SS..EExtended strand (participates in β ladder)trans-142.2149.6-175.7-70.2178.9-1700109.8V144Q139-V144 WeakPolarHBondContact CA-O 3.49Å; Q139-V144 WeakPolarHBondContact CB-O 3.44Å
140L85.4Confident85.8Confident21 Ų2157.5 Ų57.511%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-85.3-43172.3-72.4168.6000111L106 H107 L110 V144 F146L106-L140 HydrophobicContact CB-CD2 3.91Å; H107-L140 PolarHBondContact CD2-O 2.97Å; L110-L140 HydrophobicContact CB-CD1 4.01Å; L110-L140 HydrophobicContact CD1-CD1 3.72Å; L110-L140 HydrophobicContact CG-CD1 4.49Å; L140-V144 HydrophobicContact CB-CG1 4.43Å; L140-V144 PolarHBondContact N-O 2.98Å; L140-F146 HydrophobicContact CD2-CD2 3.58Å; L140-F146 HydrophobicContact CD2-CE2 3.7Å; L140-F146 HydrophobicContact CG-CD2 3.78Å; L140-F146 HydrophobicContact CG-CE2 4.37Å
141N82.8Confident85.7Confident69 Ų6963.1 Ų63.137%0.36935%0.347SS..EExtended strand (participates in β ladder)trans-140.3164178.2-153.922.7000107.8H107 C111 D143 V144H107-N141 PolarHBondContact NE2-OD1 3.22Å; C111-N141 HydrophobicContact CB-CB 4.34Å; N141-D143 PolarHBondContact O-N 3.03Å; N141-V144 HydrophobicContact CB-CB 4.18Å; N141-V144 HydrophobicContact CB-CG2 4.21Å; N141-V144 PolarHBondContact O-N 3.4Å; N141-V144 VanDerWaalsContact O-N 3.08Å
142P77.7Confident85.7Confident88 Ų8862.7 Ų62.757%0.57135%0.345SS*.THydrogen-bonded Turntrans-50.6132.6164.4-22.935.8000108.6V144P142-V144 PolarHBondContact O-N 2.87Å; P142-V144 VanDerWaalsContact O-N 3.16Å
143D79.9Confident85.4Confident156 Ų15672 Ų7283%0.83437%0.373SS*.THydrogen-bonded Turntrans72.7-9.4-178.8-45.4-42.6000117.3N141N141-D143 PolarHBondContact O-N 3.03Å
144V80.6Confident84.7Confident39 Ų3972.9 Ų72.924%0.23636%0.364CS..EExtended strand (participates in β ladder)trans-105.2110.1175.5-175.10000109.6Q139 L140 N141 P142Q139-V144 WeakPolarHBondContact CA-O 3.49Å; Q139-V144 WeakPolarHBondContact CB-O 3.44Å; L140-V144 HydrophobicContact CB-CG1 4.43Å; L140-V144 PolarHBondContact N-O 2.98Å; N141-V144 HydrophobicContact CB-CB 4.18Å; N141-V144 HydrophobicContact CB-CG2 4.21Å; N141-V144 PolarHBondContact O-N 3.4Å; N141-V144 VanDerWaalsContact O-N 3.08Å; P142-V144 PolarHBondContact O-N 2.87Å; P142-V144 VanDerWaalsContact O-N 3.16Å
145P84.8Confident83.7Confident76 Ų7678.9 Ų78.949%0.49440%0.395SS..EExtended strand (participates in β ladder)trans-60.1156.7177.327.3-34000110.1H123H123-P145 PolarHBondContact NE2-O 2.92Å
146F84.8Confident83.1Confident11 Ų1172 Ų725%0.04837%0.368CS..PPolyproline II helixtrans-62.7172.4166.8-165.9-113000110.6S102 L106 H123 A128 V136 P137 N138 L140 V149S102-F146 VanDerWaalsContact OG-CE2 3.29Å; S102-F146 WeakPolarHBondContact OG-CE2 3.3Å; L106-F146 HydrophobicContact CD1-CE2 4.12Å; L106-F146 HydrophobicContact CD1-CZ 4.25Å; H123-F146 PolarHBondContact CE1-O 3.23Å; H123-F146 PolarHBondContact NE2-O 3.35Å; H123-F146 VanDerWaalsContact NE2-O 3.12Å; A128-F146 HydrophobicContact CB-CE1 4Å; V136-F146 HydrophobicContact CG1-CD1 3.76Å; V136-F146 HydrophobicContact CG1-CE1 3.31Å; V136-F146 HydrophobicContact CG1-CZ 3.97Å; P137-F146 HydrophobicContact CB-CD2 4.11Å; P137-F146 HydrophobicContact CB-CE2 4.34Å; P137-F146 HydrophobicContact CG-CE2 4.49Å; P137-F146 VanDerWaalsContact O-CB 3.22Å; P137-F146 WeakPolarHBondContact O-CB 3.22Å; P137-F146 WeakPolarHBondContact O-CD1 3.45Å; P137-F146 WeakPolarHBondContact O-CG 3.36Å; N138-F146 WeakPolarHBondContact O-CB 3.48Å; N138-F146 PolarHBondContact O-N 2.92Å; N138-F146 VanDerWaalsContact O-N 3.11Å; L140-F146 HydrophobicContact CD2-CD2 3.58Å; L140-F146 HydrophobicContact CD2-CE2 3.7Å; L140-F146 HydrophobicContact CG-CD2 3.78Å; L140-F146 HydrophobicContact CG-CE2 4.37Å; F146-V149 HydrophobicContact CD1-CG2 3.58Å; F146-V149 HydrophobicContact CE1-CG2 4.07Å
147I88.9Confident82.4Confident4 Ų472.7 Ų72.72%0.02137%0.37CS..SBendtrans-66.5166.7175.559.5169.8000110.7L88 L106 L110 F126 A128 V149L88-I147 HydrophobicContact CD1-CD1 3.77Å; L88-I147 HydrophobicContact CG-CD1 4.45Å; L106-I147 HydrophobicContact CD1-CD1 4.4Å; L110-I147 HydrophobicContact CD1-CG2 3.78Å; F126-I147 HydrophobicContact CB-CB 4.06Å; F126-I147 HydrophobicContact CB-CD1 3.79Å; F126-I147 HydrophobicContact CB-CG2 3.72Å; A128-I147 HydrophobicContact CB-CD1 3.87Å; A128-I147 HydrophobicContact CB-CG1 4.09Å; I147-V149 VanDerWaalsContact O-CG2 3.27Å; I147-V149 WeakPolarHBondContact O-CG2 3.33Å; I147-V149 PolarHBondContact O-N 2.75Å; I147-V149 VanDerWaalsContact O-N 3.11Å
148N87.9Confident82.1Confident83 Ų8376.3 Ų76.344%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-60.8116.3-177.7-173.511.1000111I127 A128I127-N148 CarbonylContact C-O 3.38Å; I127-N148 WeakPolarHBondContact CA-O 3.34Å; A128-N148 PolarHBondContact N-O 2.81Å
149V90.1Very high81.8Confident47 Ų4779 Ų7929%0.28538%0.383SS..EExtended strand (participates in β ladder)trans-104.5122.9-177-170.10000110.9A128 A130 V136 F146 I147 R151A128-V149 HydrophobicContact CB-CB 4.49Å; A128-V149 HydrophobicContact CB-CG1 4.36Å; A128-V149 HydrophobicContact CB-CG2 4.17Å; A128-V149 CarbonylContact O-C 3.57Å; A128-V149 WeakPolarHBondContact O-CA 3.24Å; A130-V149 HydrophobicContact CB-CG1 4.19Å; V136-V149 HydrophobicContact CG1-CG2 4.25Å; F146-V149 HydrophobicContact CD1-CG2 3.58Å; F146-V149 HydrophobicContact CE1-CG2 4.07Å; I147-V149 VanDerWaalsContact O-CG2 3.27Å; I147-V149 WeakPolarHBondContact O-CG2 3.33Å; I147-V149 PolarHBondContact O-N 2.75Å; I147-V149 VanDerWaalsContact O-N 3.11Å; V149-R151 HydrophobicContact CG1-CG 4.11Å
150I90.5Very high81.7Confident7 Ų775 Ų754%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-108.2121.5171.2-61.6158.4000108.1I127 A128 V129 A130 F152 L166 L167 A170I127-I150 HydrophobicContact CG2-CD1 3.78Å; A128-I150 PolarHBondContact O-N 2.77Å; V129-I150 WeakPolarHBondContact CA-O 3.35Å; A130-I150 PolarHBondContact N-O 2.84Å; I150-F152 HydrophobicContact CG2-CD2 4.29Å; I150-F152 HydrophobicContact CG2-CE2 3.75Å; I150-F152 HydrophobicContact CG2-CZ 4.39Å; I150-L166 HydrophobicContact CG1-CB 4.42Å; I150-L166 HydrophobicContact CG2-CB 4.2Å; I150-L167 VanDerWaalsContact CD1-CA 3.45Å; I150-L167 HydrophobicContact CD1-CB 3.96Å; I150-L167 HydrophobicContact CD1-CD1 3.75Å; I150-L167 HydrophobicContact CD1-CG 4.49Å; I150-A170 HydrophobicContact CD1-CB 3.8Å
151R89.9Confident81.6Confident117 Ų11779.1 Ų79.144%0.44239%0.386SS..EExtended strand (participates in β ladder)trans-102.8128.5-178.5-66.3-176.6176.2-84.7-0.1110.6A130 V134 V149A130-R151 HydrophobicContact CB-CG 4.24Å; A130-R151 WeakPolarHBondContact O-CA 3.43Å; V134-R151 PolarHBondContact O-NH1 3.14Å; V149-R151 HydrophobicContact CG1-CG 4.11Å
152F88.5Confident81.7Confident0 Ų081.5 Ų81.50%040%0.396CS..EExtended strand (participates in β ladder)trans-101129.5170.4-72.2-99.1000108.9V129 A130 I131 G132 I150 E154 W157 D160 G163 M164 L167V129-F152 HydrophobicContact CG1-CD2 3.71Å; V129-F152 HydrophobicContact CG1-CE2 3.55Å; V129-F152 HydrophobicContact CG2-CE2 4.49Å; A130-F152 PolarHBondContact O-N 2.75Å; I131-F152 HydrophobicContact CD1-CB 3.73Å; I131-F152 HydrophobicContact CD1-CD2 3.87Å; I131-F152 HydrophobicContact CD1-CG 3.9Å; G132-F152 PolarHBondContact N-O 3Å; I150-F152 HydrophobicContact CG2-CD2 4.29Å; I150-F152 HydrophobicContact CG2-CE2 3.75Å; I150-F152 HydrophobicContact CG2-CZ 4.39Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.49Å; F152-W157 HydrophobicContact CB-CB 3.68Å; F152-W157 HydrophobicContact CD1-CB 3.63Å; F152-W157 WeakPolarHBondContact CD1-O 3.41Å; F152-W157 HydrophobicContact CG-CB 3.86Å; F152-D160 HydrophobicContact CD1-CB 3.79Å; F152-D160 HydrophobicContact CE1-CB 4.35Å; F152-G163 VanDerWaalsContact CZ-C 3.41Å; F152-G163 WeakPolarHBondContact CZ-O 3.32Å; F152-M164 HydrophobicContact CE1-CG 3.98Å; F152-M164 HydrophobicContact CE1-SD 3.9Å; F152-M164 HydrophobicContact CZ-CG 4.48Å; F152-M164 HydrophobicContact CZ-SD 4.02Å; F152-L167 HydrophobicContact CZ-CD2 4.33Å
153R77.8Confident82.1Confident218 Ų21877.4 Ų77.482%0.82337%0.37SS*.SBendtrans-65.7-29.4-169.6-69.7-175.5177.1-172.2-0.1114.4D160R153-D160 PolarHBondContact N-OD2 3.48Å
154E69.2Low82.5Confident133 Ų13370 Ų7062%0.62133%0.33SS*.SBendtrans-142.8165.9-167.9-64-179.2-176.100113.5F152 G156 W157F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.49Å; E154-G156 PolarHBondContact O-N 3.04Å; E154-W157 WeakPolarHBondContact O-CA 3.32Å; E154-W157 WeakPolarHBondContact O-CB 3.39Å; E154-W157 PolarHBondContact O-N 3.1Å
155I64.2Low82.7Confident131 Ų13172.6 Ų72.667%0.67234%0.341SS*.THydrogen-bonded Turntrans-58.1-30.3169.8-61.3169.5000110.6W157I155-W157 PolarHBondContact O-N 3.31Å
156G73.9Confident82.9Confident19 Ų1973.1 Ų73.120%0.19634%0.339CS..THydrogen-bonded Turntrans-73.135.916900000113.8E154 F158 R159E154-G156 PolarHBondContact O-N 3.04Å; G156-F158 PolarHBondContact O-N 3.09Å; G156-R159 WeakPolarHBondContact O-CB 3.31Å; G156-R159 PolarHBondContact O-N 2.95Å
157W76.4Confident83.2Confident24 Ų2472.7 Ų72.79%0.09134%0.337CS..G310 helixtrans-54.6-25.7-172.558.9-98.3000113.7H41 L42 H45 I131 F152 E154 I155 R159 D160H41-W157 HydrophobicContact CB-CH2 4.47Å; H41-W157 HydrophobicContact CB-CZ2 4.24Å; L42-W157 HydrophobicContact CB-CH2 3.69Å; L42-W157 HydrophobicContact CB-CZ2 4.1Å; L42-W157 HydrophobicContact CB-CZ3 4.05Å; L42-W157 HydrophobicContact CD1-CE3 3.71Å; L42-W157 HydrophobicContact CD1-CH2 3.89Å; L42-W157 HydrophobicContact CD1-CZ3 3.29Å; L42-W157 HydrophobicContact CG-CH2 4.41Å; L42-W157 HydrophobicContact CG-CZ3 4.27Å; H45-W157 HydrophobicContact CB-CH2 4.25Å; H45-W157 HydrophobicContact CB-CZ3 4.26Å; I131-W157 HydrophobicContact CD1-CB 3.9Å; I131-W157 HydrophobicContact CD1-CG 3.88Å; I131-W157 HydrophobicContact CG2-CB 4.5Å; F152-W157 HydrophobicContact CB-CB 3.68Å; F152-W157 HydrophobicContact CD1-CB 3.63Å; F152-W157 WeakPolarHBondContact CD1-O 3.41Å; F152-W157 HydrophobicContact CG-CB 3.86Å; E154-W157 WeakPolarHBondContact O-CA 3.32Å; E154-W157 WeakPolarHBondContact O-CB 3.39Å; E154-W157 PolarHBondContact O-N 3.1Å; I155-W157 PolarHBondContact O-N 3.31Å; W157-R159 PolarHBondContact O-N 3.35Å; W157-D160 WeakPolarHBondContact O-CB 3.49Å; W157-D160 PolarHBondContact O-N 3.29Å
158F78.6Confident83.1Confident103 Ų10374.1 Ų74.145%0.45234%0.344SS..G310 helixtrans-63.3-16.8173.859.2-92000113.7H45 G156H45-F158 PolarHBondContact NE2-O 2.8Å; G156-F158 PolarHBondContact O-N 3.09Å
159R79.9Confident83Confident198 Ų19876.3 Ų76.375%0.74735%0.349SS*.G310 helixtrans-89-15.1174.2-59.5-174.9174.6-175.7-3.5113.1G156 W157 I161G156-R159 WeakPolarHBondContact O-CB 3.31Å; G156-R159 PolarHBondContact O-N 2.95Å; W157-R159 PolarHBondContact O-N 3.35Å; R159-I161 PolarHBondContact O-N 3.12Å
160D83.4Confident82.9Confident31 Ų3174.5 Ų74.517%0.16634%0.339CS..  trans-78.888.9-178.2-166.5-21.5000110.1F152 R153 W157 M162 G163 M164F152-D160 HydrophobicContact CD1-CB 3.79Å; F152-D160 HydrophobicContact CE1-CB 4.35Å; R153-D160 PolarHBondContact N-OD2 3.48Å; W157-D160 WeakPolarHBondContact O-CB 3.49Å; W157-D160 PolarHBondContact O-N 3.29Å; D160-M162 VanDerWaalsContact C-N 3.26Å; D160-M162 PolarHBondContact O-N 2.66Å; D160-M162 PolarHBondContact OD1-N 3.38Å; D160-G163 PolarHBondContact O-N 3.3Å; D160-G163 PolarHBondContact OD1-N 3.44Å; D160-M164 WeakPolarHBondContact O-CG 3.5Å; D160-M164 PolarHBondContact O-N 3.41Å
161I83.8Confident82.6Confident107 Ų10774.2 Ų74.255%0.54934%0.338SS..Hα-helixtrans-60.5-40-178.5-62.1171.9000110.7R159 M164 M165R159-I161 PolarHBondContact O-N 3.12Å; I161-M164 PolarHBondContact O-N 3.07Å; I161-M165 HydrophobicContact CG2-CG 4.42Å; I161-M165 HydrophobicContact CG2-SD 4.07Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.45Å
162M84.7Confident82.1Confident119 Ų11972.1 Ų72.159%0.58633%0.332SS*.Hα-helixtrans-66.9-47.7-178.5-173.258.46200111.1D160 M164 M165 L166D160-M162 VanDerWaalsContact C-N 3.26Å; D160-M162 PolarHBondContact O-N 2.66Å; D160-M162 PolarHBondContact OD1-N 3.38Å; M162-M164 VanDerWaalsContact C-N 3.26Å; M162-M164 PolarHBondContact O-N 3.44Å; M162-M165 PolarHBondContact O-N 2.97Å; M162-L166 HydrophobicContact CG-CD1 4.37Å; M162-L166 WeakPolarHBondContact O-CG 3.28Å; M162-L166 PolarHBondContact O-N 2.8Å
163G87.1Confident81.3Confident2 Ų276.5 Ų76.52%0.02136%0.355CS..Hα-helixtrans-56.5-41.3173.900000112.2F152 D160 L166 L167F152-G163 VanDerWaalsContact CZ-C 3.41Å; F152-G163 WeakPolarHBondContact CZ-O 3.32Å; D160-G163 PolarHBondContact O-N 3.3Å; D160-G163 PolarHBondContact OD1-N 3.44Å; G163-L166 PolarHBondContact O-N 3.49Å; G163-L167 WeakPolarHBondContact O-CB 3.37Å; G163-L167 PolarHBondContact O-N 3.45Å
164M87.4Confident80.5Confident0 Ų073 Ų730%035%0.346CS..Hα-helixtrans-66.4-39.5176.7-73.1-60.6-63.200113.6L42 V46 K49 Y50 F152 D160 I161 M162 L167 E168L42-M164 HydrophobicContact CD1-SD 4.22Å; V46-M164 HydrophobicContact CB-CE 4.18Å; V46-M164 HydrophobicContact CG2-CE 3.48Å; V46-M164 VanDerWaalsContact CG2-CE 3.48Å; V46-M164 HydrophobicContact CG2-SD 4.33Å; K49-M164 HydrophobicContact CD-CB 4.4Å; K49-M164 HydrophobicContact CD-CE 4.34Å; Y50-M164 HydrophobicContact CE2-CB 4.35Å; Y50-M164 HydrophobicContact CE2-CE 4.13Å; F152-M164 HydrophobicContact CE1-CG 3.98Å; F152-M164 HydrophobicContact CE1-SD 3.9Å; F152-M164 HydrophobicContact CZ-CG 4.48Å; F152-M164 HydrophobicContact CZ-SD 4.02Å; D160-M164 WeakPolarHBondContact O-CG 3.5Å; D160-M164 PolarHBondContact O-N 3.41Å; I161-M164 PolarHBondContact O-N 3.07Å; M162-M164 VanDerWaalsContact C-N 3.26Å; M162-M164 PolarHBondContact O-N 3.44Å; M164-L167 PolarHBondContact O-N 3.09Å; M164-E168 PolarHBondContact O-N 2.98Å
165M86Confident79.9Confident94 Ų9469.3 Ų69.346%0.46333%0.327SS..Hα-helixtrans-67.5-40.7176-7317670.100111.8Y50 I161 M162 L167 E168 K169Y50-M165 WeakPolarHBondContact OH-CG 3.33Å; I161-M165 HydrophobicContact CG2-CG 4.42Å; I161-M165 HydrophobicContact CG2-SD 4.07Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.45Å; M162-M165 PolarHBondContact O-N 2.97Å; M165-L167 VanDerWaalsContact C-N 3.3Å; M165-L167 PolarHBondContact O-N 3.1Å; M165-E168 PolarHBondContact O-N 2.92Å; M165-K169 WeakPolarHBondContact O-CB 3.45Å; M165-K169 PolarHBondContact O-N 2.85Å
166L89.1Confident79.3Confident88 Ų8867.3 Ų67.346%0.46132%0.316SS..Hα-helixtrans-63.7-37.9175.1-69.4174.5000111.6I150 M162 G163 A170I150-L166 HydrophobicContact CG1-CB 4.42Å; I150-L166 HydrophobicContact CG2-CB 4.2Å; M162-L166 HydrophobicContact CG-CD1 4.37Å; M162-L166 WeakPolarHBondContact O-CG 3.28Å; M162-L166 PolarHBondContact O-N 2.8Å; G163-L166 PolarHBondContact O-N 3.49Å; L166-A170 WeakPolarHBondContact O-CB 3.3Å; L166-A170 PolarHBondContact O-N 3.02Å
167L90.1Very high78.3Confident1 Ų167.9 Ų67.91%0.00532%0.316CS..Hα-helixtrans-66-45.2174.1-176.958.8000112.7L42 V46 I127 V129 I150 F152 G163 M164 M165 K169 A170 I171L42-L167 HydrophobicContact CD1-CD2 3.98Å; L42-L167 HydrophobicContact CD2-CD2 4.47Å; L42-L167 HydrophobicContact CG-CD2 4.47Å; V46-L167 HydrophobicContact CG2-CD2 3.75Å; I127-L167 HydrophobicContact CG2-CD1 4.41Å; V129-L167 HydrophobicContact CG2-CD1 3.66Å; V129-L167 HydrophobicContact CG2-CD2 4.2Å; I150-L167 VanDerWaalsContact CD1-CA 3.45Å; I150-L167 HydrophobicContact CD1-CB 3.96Å; I150-L167 HydrophobicContact CD1-CD1 3.75Å; I150-L167 HydrophobicContact CD1-CG 4.49Å; F152-L167 HydrophobicContact CZ-CD2 4.33Å; G163-L167 WeakPolarHBondContact O-CB 3.37Å; G163-L167 PolarHBondContact O-N 3.45Å; M164-L167 PolarHBondContact O-N 3.09Å; M165-L167 VanDerWaalsContact C-N 3.3Å; M165-L167 PolarHBondContact O-N 3.1Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.07Å; L167-A170 PolarHBondContact O-N 3.48Å; L167-I171 HydrophobicContact CD1-CD1 3.88Å; L167-I171 HydrophobicContact CD1-CG1 4.2Å; L167-I171 HydrophobicContact CG-CD1 3.92Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.33Å; L167-I171 PolarHBondContact O-N 2.98Å
168E87Confident77.2Confident34 Ų3469.4 Ų69.416%0.15933%0.33CS..Hα-helixtrans-55.9-49.9174.2-173.2-161.317900111Y50 L53 M164 M165 A170 I171 K172Y50-E168 HydrophobicContact CD1-CG 4Å; Y50-E168 WeakPolarHBondContact CD1-OE1 3.49Å; Y50-E168 WeakPolarHBondContact CD1-OE2 3.27Å; Y50-E168 HydrophobicContact CD2-CB 3.92Å; Y50-E168 HydrophobicContact CD2-CG 3.89Å; Y50-E168 HydrophobicContact CE1-CB 4.5Å; Y50-E168 VanDerWaalsContact CE1-CD 3.46Å; Y50-E168 HydrophobicContact CE1-CG 4.27Å; Y50-E168 WeakPolarHBondContact CE1-OE2 3.49Å; Y50-E168 HydrophobicContact CE2-CB 3.74Å; Y50-E168 HydrophobicContact CE2-CG 4.12Å; Y50-E168 HydrophobicContact CG-CB 4.33Å; Y50-E168 HydrophobicContact CG-CG 3.81Å; L53-E168 HydrophobicContact CD1-CB 4.26Å; L53-E168 HydrophobicContact CD1-CG 3.7Å; M164-E168 PolarHBondContact O-N 2.98Å; M165-E168 PolarHBondContact O-N 2.92Å; E168-A170 PolarHBondContact O-N 3.15Å; E168-I171 PolarHBondContact O-N 2.76Å; E168-K172 HydrophobicContact CG-CD 4.34Å; E168-K172 WeakPolarHBondContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CG 3.28Å; E168-K172 PolarHBondContact O-N 2.61Å; E168-K172 WeakPolarHBondContact OE1-CE 3.17Å; E168-K172 IonicContact OE1-NZ 3.49Å; E168-K172 PolarHBondContact OE1-NZ 3.14Å
169K85.9Confident76Confident130 Ų13071 Ų7157%0.56534%0.339SS*.Hα-helixtrans-59.9-47.7178.9-176176.6178.81790111.8M165 L167 I171 K172 D173M165-K169 WeakPolarHBondContact O-CB 3.45Å; M165-K169 PolarHBondContact O-N 2.85Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.07Å; K169-I171 PolarHBondContact O-N 2.78Å; K169-K172 PolarHBondContact O-N 3.39Å; K169-D173 WeakPolarHBondContact O-CB 3.36Å; K169-D173 VanDerWaalsContact O-CG 3.24Å; K169-D173 PolarHBondContact O-N 3.27Å
170A87Confident74.1Confident8 Ų867.3 Ų67.37%0.06633%0.331CS..Hα-helixtrans-62.8-31179.900000113.1I127 I150 L166 L167 E168I127-A170 HydrophobicContact CD1-CB 3.85Å; I127-A170 WeakPolarHBondContact CD1-O 3.33Å; I127-A170 HydrophobicContact CG1-CB 4.44Å; I150-A170 HydrophobicContact CD1-CB 3.8Å; L166-A170 WeakPolarHBondContact O-CB 3.3Å; L166-A170 PolarHBondContact O-N 3.02Å; L167-A170 PolarHBondContact O-N 3.48Å; E168-A170 PolarHBondContact O-N 3.15Å
171I85.2Confident72.4Confident2 Ų271.9 Ų71.91%0.0135%0.349CS..Hα-helixtrans-76-41.9174.9-67.5169.4000111.1H8 A9 V46 L53 V55 I127 L167 E168 K169H8-I171 HydrophobicContact CB-CG2 3.69Å; A9-I171 HydrophobicContact CB-CD1 4.04Å; A9-I171 HydrophobicContact CB-CG1 3.95Å; A9-I171 HydrophobicContact CB-CG2 3.9Å; V46-I171 HydrophobicContact CG1-CD1 4.47Å; L53-I171 HydrophobicContact CD1-CB 4.44Å; L53-I171 HydrophobicContact CD1-CG2 4.27Å; L53-I171 HydrophobicContact CD2-CG2 3.86Å; V55-I171 HydrophobicContact CG2-CD1 4.36Å; I127-I171 HydrophobicContact CD1-CG1 4.25Å; L167-I171 HydrophobicContact CD1-CD1 3.88Å; L167-I171 HydrophobicContact CD1-CG1 4.2Å; L167-I171 HydrophobicContact CG-CD1 3.92Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.33Å; L167-I171 PolarHBondContact O-N 2.98Å; E168-I171 PolarHBondContact O-N 2.76Å; K169-I171 PolarHBondContact O-N 2.78Å
172K79.8Confident70.5Confident73 Ų7373 Ų7332%0.31735%0.352SS..Hα-helixtrans-73-33.6-178.5-77.3-169.8-176.1169.80114.3N52 L53 E168 K169 F174N52-K172 WeakPolarHBondContact ND2-CE 3.47Å; N52-K172 PolarHBondContact ND2-NZ 2.92Å; L53-K172 HydrophobicContact CD2-CG 3.72Å; E168-K172 HydrophobicContact CG-CD 4.34Å; E168-K172 WeakPolarHBondContact O-CB 3.3Å; E168-K172 WeakPolarHBondContact O-CG 3.28Å; E168-K172 PolarHBondContact O-N 2.61Å; E168-K172 WeakPolarHBondContact OE1-CE 3.17Å; E168-K172 IonicContact OE1-NZ 3.49Å; E168-K172 PolarHBondContact OE1-NZ 3.14Å; K169-K172 PolarHBondContact O-N 3.39Å; K172-F174 VanDerWaalsContact C-N 3.27Å; K172-F174 WeakPolarHBondContact O-CD2 3.45Å; K172-F174 PolarHBondContact O-N 2.78Å
173D71.8Confident68.3Low91 Ų9169.6 Ų69.649%0.48734%0.343SS..SBendtrans-60.796.2176-73.4-11.3000106.5R85 K169R85-D173 PolarHBondContact NE-O 3.25Å; R85-D173 PolarHBondContact NH2-O 2.91Å; K169-D173 WeakPolarHBondContact O-CB 3.36Å; K169-D173 VanDerWaalsContact O-CG 3.24Å; K169-D173 PolarHBondContact O-N 3.27Å
174F59.7Low66.1Low145 Ų14574.2 Ų74.264%0.63637%0.371SS*.  trans-59.5145.9-172.9-73.7-85.2000110.6R85 K172 I176R85-F174 VanDerWaalsContact NH2-C 3.28Å; R85-F174 PolarHBondContact NH2-O 2.91Å; K172-F174 VanDerWaalsContact C-N 3.27Å; K172-F174 WeakPolarHBondContact O-CD2 3.45Å; K172-F174 PolarHBondContact O-N 2.78Å; F174-I176 PolarHBondContact O-N 3.11Å
175W56.5Low63.8Low56 Ų5677.6 Ų77.621%0.21240%0.395CS..  trans-72119169.1-177.273.9000108.9E121 R125 P177E121-W175 HydrophobicContact CG-CZ2 4.18Å; E121-W175 PolarHBondContact O-NE1 3.01Å; R125-W175 HydrophobicContact CG-CB 4.09Å; R125-W175 HydrophobicContact CG-CD2 3.95Å; R125-W175 HydrophobicContact CG-CG 3.51Å; W175-P177 HydrophobicContact CE3-CG 4.05Å; W175-P177 HydrophobicContact CH2-CB 3.68Å; W175-P177 HydrophobicContact CH2-CG 3.82Å; W175-P177 HydrophobicContact CZ2-CB 4.29Å; W175-P177 HydrophobicContact CZ3-CB 3.91Å; W175-P177 HydrophobicContact CZ3-CG 3.47Å; W175-P177 VanDerWaalsContact CZ3-CG 3.47Å
176I53Low61.4Low89 Ų8980.8 Ų80.846%0.45641%0.409SS..  trans-104.5117.9173.5-56.5173.4000107.4F174 M180 K181F174-I176 PolarHBondContact O-N 3.11Å; I176-M180 HydrophobicContact CG2-CB 4.02Å; I176-K181 HydrophobicContact CG2-CG 3.88Å
177P51.9Low58.7Low30 Ų3083 Ų8320%0.19542%0.417CS..  trans-53.9143.4174.5-14.219.2000111.1W175 E179 M180 K181W175-P177 HydrophobicContact CE3-CG 4.05Å; W175-P177 HydrophobicContact CH2-CB 3.68Å; W175-P177 HydrophobicContact CH2-CG 3.82Å; W175-P177 HydrophobicContact CZ2-CB 4.29Å; W175-P177 HydrophobicContact CZ3-CB 3.91Å; W175-P177 HydrophobicContact CZ3-CG 3.47Å; W175-P177 VanDerWaalsContact CZ3-CG 3.47Å; P177-E179 PolarHBondContact O-N 2.68Å; P177-M180 HydrophobicContact CG-CG 4.47Å; P177-M180 HydrophobicContact CG-SD 4.32Å; P177-M180 PolarHBondContact O-N 3.49Å; P177-M180 VanDerWaalsContact O-N 3.08Å; P177-K181 PolarHBondContact O-N 2.93Å
178P53.1Low56Low57 Ų5786.1 Ų86.137%0.3744%0.438SS..Hα-helixtrans-54.4-39.7176.2-21.730.9000112.6E121 M180 K181 E182E121-P178 HydrophobicContact CB-CG 3.7Å; P178-M180 PolarHBondContact O-N 3.16Å; P178-K181 WeakPolarHBondContact O-CA 3.41Å; P178-K181 WeakPolarHBondContact O-CB 3.5Å; P178-K181 PolarHBondContact O-N 3.46Å; P178-E182 PolarHBondContact O-N 3.43Å
179E53.3Low53.5Low137 Ų13791.9 Ų91.964%0.6447%0.47SS*.Hα-helixtrans-55.5-35.5179-63.4163.3-173.400112R114 P177R114-E179 IonicContact NH1-OE1 3.03Å; P177-E179 PolarHBondContact O-N 2.68Å
180M41Very low50.8Low120 Ų12092.3 Ų92.359%0.59148%0.478SS*.Hα-helixtrans-80.1-27.6175-76.4-173.6169.800113.4I176 P177 P178 E182 A183 T184I176-M180 HydrophobicContact CG2-CB 4.02Å; P177-M180 HydrophobicContact CG-CG 4.47Å; P177-M180 HydrophobicContact CG-SD 4.32Å; P177-M180 PolarHBondContact O-N 3.49Å; P177-M180 VanDerWaalsContact O-N 3.08Å; P178-M180 PolarHBondContact O-N 3.16Å; M180-E182 VanDerWaalsContact C-N 3.32Å; M180-A183 PolarHBondContact O-N 3.18Å; M180-T184 PolarHBondContact O-N 2.82Å; M180-T184 PolarHBondContact O-OG1 3.34Å
181K47.3Very low48.2Very low126 Ų126100 Ų10055%0.54851%0.51SS..Hα-helixtrans-65.9-37.8176.3-67.9-172.6179.8-178.40111.4I176 P177 P178 T184 S185I176-K181 HydrophobicContact CG2-CG 3.88Å; P177-K181 PolarHBondContact O-N 2.93Å; P178-K181 WeakPolarHBondContact O-CA 3.41Å; P178-K181 WeakPolarHBondContact O-CB 3.5Å; P178-K181 PolarHBondContact O-N 3.46Å; K181-T184 VanDerWaalsContact CA-OG1 3.32Å; K181-T184 WeakPolarHBondContact CA-OG1 3.5Å; K181-T184 PolarHBondContact O-N 3.11Å; K181-T184 PolarHBondContact O-OG1 3.14Å; K181-S185 PolarHBondContact O-N 2.86Å
182E43.5Very low45.7Very low130 Ų130109 Ų10961%0.60755%0.552SS**Hα-helixtrans-67.1-43.9176.1-69.8-178.4-176.700111.3P178 M180 T184 S185 Q186P178-E182 PolarHBondContact O-N 3.43Å; M180-E182 VanDerWaalsContact C-N 3.32Å; E182-T184 PolarHBondContact O-N 2.92Å; E182-S185 PolarHBondContact O-N 3.32Å; E182-S185 VanDerWaalsContact O-N 3.11Å; E182-S185 PolarHBondContact O-OG 3.46Å; E182-Q186 PolarHBondContact O-N 3.26Å
183A38.9Very low43.3Very low48 Ų48109.3 Ų109.340%0.39756%0.563SS.*Hα-helixtrans-61.8-40.617500000112.7M180 S185 Q186 H187M180-A183 PolarHBondContact O-N 3.18Å; A183-S185 VanDerWaalsContact C-N 3.3Å; A183-S185 PolarHBondContact O-N 2.75Å; A183-Q186 PolarHBondContact O-N 3.28Å; A183-H187 WeakPolarHBondContact O-CB 3.22Å; A183-H187 PolarHBondContact O-CD2 2.91Å; A183-H187 PolarHBondContact O-N 3.36Å
184T41.1Very low41.2Very low99 Ų99112.2 Ų112.261%0.60758%0.577SS**Hα-helixtrans-67.8-30.2174.426.90000112.5M180 K181 E182 S188M180-T184 PolarHBondContact O-N 2.82Å; M180-T184 PolarHBondContact O-OG1 3.34Å; K181-T184 VanDerWaalsContact CA-OG1 3.32Å; K181-T184 WeakPolarHBondContact CA-OG1 3.5Å; K181-T184 PolarHBondContact O-N 3.11Å; K181-T184 PolarHBondContact O-OG1 3.14Å; E182-T184 PolarHBondContact O-N 2.92Å; T184-S188 PolarHBondContact O-N 2.99Å
185S39.4Very low39.5Very low71 Ų71113.9 Ų113.950%0.49759%0.589SS.*Hα-helixtrans-72.5-40.9174.983.40000112.7K181 E182 A183 S188K181-S185 PolarHBondContact O-N 2.86Å; E182-S185 PolarHBondContact O-N 3.32Å; E182-S185 VanDerWaalsContact O-N 3.11Å; E182-S185 PolarHBondContact O-OG 3.46Å; A183-S185 VanDerWaalsContact C-N 3.3Å; A183-S185 PolarHBondContact O-N 2.75Å; S185-S188 WeakPolarHBondContact O-CB 3.45Å; S185-S188 PolarHBondContact O-N 3.42Å; S185-S188 PolarHBondContact O-OG 2.82Å
186Q34.9Very low38.1Very low161 Ų161118 Ų11875%0.75261%0.613SS**Hα-helixtrans-73.8-32.5-179.1-70.1-171.94.500112.3E182 A183 S188E182-Q186 PolarHBondContact O-N 3.26Å; A183-Q186 PolarHBondContact O-N 3.28Å; Q186-S188 PolarHBondContact O-N 3.27Å
187H31.8Very low36.8Very low136 Ų136117.8 Ų117.863%0.6362%0.62SS**G310 helixtrans-76.4-7.2173.7-81.3-61.8000114.3A183 N189 L190A183-H187 WeakPolarHBondContact O-CB 3.22Å; A183-H187 PolarHBondContact O-CD2 2.91Å; A183-H187 PolarHBondContact O-N 3.36Å; H187-N189 PolarHBondContact O-N 3.27Å; H187-N189 VanDerWaalsContact O-N 3.12Å; H187-L190 PolarHBondContact O-N 3.21Å; H187-L190 VanDerWaalsContact O-N 3.1Å
188S34.6Very low35.6Very low65 Ų65121.5 Ų121.546%0.45564%0.637SS.*G310 helixtrans-67.4-12.1-177.970.50000114.9T184 S185 Q186T184-S188 PolarHBondContact O-N 2.99Å; S185-S188 WeakPolarHBondContact O-CB 3.45Å; S185-S188 PolarHBondContact O-N 3.42Å; S185-S188 PolarHBondContact O-OG 2.82Å; Q186-S188 PolarHBondContact O-N 3.27Å
189N33.9Very low34.3Very low155 Ų155127.2 Ų127.283%0.82966%0.656SS**G310 helixtrans-91.8-8173.7-77.3-31000114.5H187H187-N189 PolarHBondContact O-N 3.27Å; H187-N189 VanDerWaalsContact O-N 3.12Å
190L30.2Very low33Very low139 Ų139129 Ų12973%0.72866%0.658SS**SBendtrans-103.691.2177.3-148.676.6000110.1H187H187-L190 PolarHBondContact O-N 3.21Å; H187-L190 VanDerWaalsContact O-N 3.1Å
191K31.1Very low32.3Very low171 Ų171126.9 Ų126.974%0.74366%0.655SS**  trans60.487.7167.8-64.3179.9177.7178.20115.1S193K191-S193 PolarHBondContact O-N 2.86Å
192Q32.4Very low31.2Very low191 Ų191127.3 Ų127.389%0.89366%0.663SS**  trans-59.733.3155.7-99.4178.4-1.400114.5
193S29.8Very low30.4Very low78 Ų78126 Ų12655%0.54566%0.66SS.*SBendtrans-124.281.5166.561.10000105.2K191K191-S193 PolarHBondContact O-N 2.86Å
194I28.5Very low29.8Very low153 Ų153130 Ų13079%0.78567%0.67SS**SBend-167.418.993.5-80145.7000110.2I196I194-I196 PolarHBondContact O-N 2.87Å
195M24.4Very low29.1Very low180 Ų180130.1 Ų130.189%0.88767%0.666SS**  trans-78.784.2163.3-112.7-174.185.900108.1S197M195-S197 PolarHBondContact O-N 3.12Å
196I25.8Very low28.7Very low141 Ų141130.5 Ų130.572%0.72367%0.665SS**  trans-54.998162-61.5170.5000104.8I194 I198I194-I196 PolarHBondContact O-N 2.87Å; I196-I198 HydrophobicContact CG2-CG1 4.11Å; I196-I198 PolarHBondContact O-N 3Å
197S26.8Very low28.2Very low85 Ų85128.2 Ų128.259%0.59466%0.655SS**  trans-61.2100.4164.273.30000104.2M195 K199M195-S197 PolarHBondContact O-N 3.12Å; S197-K199 PolarHBondContact O-N 3Å
198I26.2Very low28.1Very low108 Ų108125.4 Ų125.455%0.55465%0.647SS**  trans-65.891.4170.5-59.3175.1000104.1I196 Y200I196-I198 HydrophobicContact CG2-CG1 4.11Å; I196-I198 PolarHBondContact O-N 3Å; I198-Y200 VanDerWaalsContact C-N 3.31Å; I198-Y200 HydrophobicContact CB-CD2 4.49Å; I198-Y200 HydrophobicContact CB-CE2 3.95Å; I198-Y200 HydrophobicContact CG2-CD1 4.21Å; I198-Y200 HydrophobicContact CG2-CD2 4.08Å; I198-Y200 HydrophobicContact CG2-CE1 3.78Å; I198-Y200 HydrophobicContact CG2-CE2 3.64Å; I198-Y200 HydrophobicContact CG2-CG 4.35Å; I198-Y200 VanDerWaalsContact CG2-CZ 3.48Å; I198-Y200 WeakPolarHBondContact O-CD2 3.22Å; I198-Y200 PolarHBondContact O-N 3.11Å
199K25.9Very low27.7Very low178 Ų178127.4 Ų127.477%0.77466%0.657SS**  trans-65.496.3171.9-85-172.9175.2-173.10106S197 S201S197-K199 PolarHBondContact O-N 3Å; K199-S201 PolarHBondContact O-N 3.02Å; K199-S201 VanDerWaalsContact O-N 3.14Å
200Y25.9Very low27.6Very low173 Ų173122.8 Ų122.868%0.67864%0.637SS**  trans-73.6100167.6-65-81.6000108I198I198-Y200 VanDerWaalsContact C-N 3.31Å; I198-Y200 HydrophobicContact CB-CD2 4.49Å; I198-Y200 HydrophobicContact CB-CE2 3.95Å; I198-Y200 HydrophobicContact CG2-CD1 4.21Å; I198-Y200 HydrophobicContact CG2-CD2 4.08Å; I198-Y200 HydrophobicContact CG2-CE1 3.78Å; I198-Y200 HydrophobicContact CG2-CE2 3.64Å; I198-Y200 HydrophobicContact CG2-CG 4.35Å; I198-Y200 VanDerWaalsContact CG2-CZ 3.48Å; I198-Y200 WeakPolarHBondContact O-CD2 3.22Å; I198-Y200 PolarHBondContact O-N 3.11Å
201S24.9Very low28.2Very low77 Ų77124.6 Ų124.654%0.53865%0.646SS.*  trans-90.7102.415564.10000107.3K199 N203K199-S201 PolarHBondContact O-N 3.02Å; K199-S201 VanDerWaalsContact O-N 3.14Å; S201-N203 PolarHBondContact O-N 3.47Å; S201-N203 VanDerWaalsContact O-N 3.09Å
202L25.9Very low28.4Very low135 Ų135121.6 Ų121.671%0.70764%0.642SS**  trans-7298.1169.5-99.7156.8000107.9
203N25.7Very low28.4Very low101 Ų101120.1 Ų120.154%0.5464%0.64SS.*EExtended strand (participates in β ladder)trans-9383.6163.2-69.8-14.3000106.9S201S201-N203 PolarHBondContact O-N 3.47Å; S201-N203 VanDerWaalsContact O-N 3.09Å
204E26.7Very low28.2Very low133 Ų133121.4 Ų121.462%0.62164%0.64SS**EExtended strand (participates in β ladder)trans-90.2114.2170.7-163.8171.9-173.800108.3V206E204-V206 HydrophobicContact CG-CG2 4.22Å
205I27.2Very low28.2Very low102 Ų102117.3 Ų117.352%0.52362%0.622SS.*EExtended strand (participates in β ladder)trans-96.2106.5173.4-59.6173.7000106.1E207I205-E207 HydrophobicContact CG2-CG 4.09Å
206V29.1Very low28.3Very low78 Ų78112.4 Ų112.447%0.47360%0.602SS.*EExtended strand (participates in β ladder)trans-93.199.8171.1-174.60000107.2E204 T208E204-V206 HydrophobicContact CG-CG2 4.22Å; V206-T208 HydrophobicContact CG1-CG2 4.13Å
207E26.3Very low28.4Very low114 Ų114110.8 Ų110.853%0.53359%0.591SS.*EExtended strand (participates in β ladder)trans-88.8111169.7-89.9177.7-165.900109.7I205 H217I205-E207 HydrophobicContact CG2-CG 4.09Å; E207-H217 VanDerWaalsContact CD-CE1 3.44Å; E207-H217 VanDerWaalsContact CG-ND1 3.32Å; E207-H217 WeakPolarHBondContact CG-ND1 3.44Å; E207-H217 IonicContact OE1-CE1 2.81Å; E207-H217 PolarHBondContact OE1-CE1 3.14Å; E207-H217 IonicContact OE1-ND1 3.18Å; E207-H217 PolarHBondContact OE1-ND1 3.14Å
208T29.1Very low28.5Very low76 Ų76111.3 Ų111.347%0.46659%0.591SS.*EExtended strand (participates in β ladder)trans-99.6106.1169.858.10000108.4V206 T216V206-T208 HydrophobicContact CG1-CG2 4.13Å; T208-T216 PolarHBondContact O-N 3.2Å
209T26.2Very low28.6Very low107 Ų107111.9 Ų111.966%0.65659%0.594SS**EExtended strand (participates in β ladder)trans-90.3108.9167.146.20000109.1T215T209-T215 HydrophobicContact CG2-CG2 3.78Å
210S31.5Very low28.6Very low58 Ų58105.7 Ų105.741%0.40658%0.581SS.*EExtended strand (participates in β ladder)trans-74.6140.1165.31410000109V212 D213 I214S210-V212 CarbonylContact O-C 3.24Å; S210-V212 VanDerWaalsContact O-C 3.24Å; S210-V212 PolarHBondContact O-N 2.96Å; S210-V212 VanDerWaalsContact O-N 3.09Å; S210-V212 WeakPolarHBondContact OG-CB 3.28Å; S210-V212 PolarHBondContact OG-N 3.34Å; S210-V212 VanDerWaalsContact OG-N 3.1Å; S210-V212 PolarHBondContact OG-O 3.15Å; S210-D213 PolarHBondContact O-N 3.39Å; S210-I214 PolarHBondContact N-O 3.24Å
211L42.1Very low28.7Very low178 Ų178103.6 Ų103.693%0.93258%0.575SS**THydrogen-bonded Turntrans-62.5-14.9176.5-156.9119.9000112.8D213L211-D213 PolarHBondContact O-N 2.91Å
212V36.3Very low28.9Very low107 Ų107106.8 Ų106.865%0.64858%0.583SS**THydrogen-bonded Turntrans-87.592.3159.4-171.10000105.4S210 I214S210-V212 CarbonylContact O-C 3.24Å; S210-V212 VanDerWaalsContact O-C 3.24Å; S210-V212 PolarHBondContact O-N 2.96Å; S210-V212 VanDerWaalsContact O-N 3.09Å; S210-V212 WeakPolarHBondContact OG-CB 3.28Å; S210-V212 PolarHBondContact OG-N 3.34Å; S210-V212 VanDerWaalsContact OG-N 3.1Å; S210-V212 PolarHBondContact OG-O 3.15Å; V212-I214 WeakPolarHBondContact O-CB 3.37Å; V212-I214 WeakPolarHBondContact O-CG1 3.27Å; V212-I214 PolarHBondContact O-N 3.31Å
213D31.6Very low29.1Very low160 Ų160104.9 Ų104.986%0.85657%0.574SS**THydrogen-bonded Turntrans-2862.3-174.7-73.5-37.7000116.9S210 L211S210-D213 PolarHBondContact O-N 3.39Å; L211-D213 PolarHBondContact O-N 2.91Å
214I26.2Very low29.7Very low105 Ų105105.4 Ų105.454%0.53858%0.576SS.*EExtended strand (participates in β ladder)trans-128.596.7177.4-60173.6000104.3S210 V212S210-I214 PolarHBondContact N-O 3.24Å; V212-I214 WeakPolarHBondContact O-CB 3.37Å; V212-I214 WeakPolarHBondContact O-CG1 3.27Å; V212-I214 PolarHBondContact O-N 3.31Å
215T29Very low30.2Very low67 Ų67105.1 Ų105.141%0.41158%0.579SS.*EExtended strand (participates in β ladder)trans-84.7112.4171.2-43.30000107.2T209T209-T215 HydrophobicContact CG2-CG2 3.78Å
216T26.4Very low30.6Very low77 Ų77108.2 Ų108.247%0.47259%0.591SS.*EExtended strand (participates in β ladder)trans-101.5111.5174.6-21.80000107.9T208T208-T216 PolarHBondContact O-N 3.2Å
217H26.9Very low31Very low107 Ų107111.7 Ų111.750%0.49561%0.605SS.*EExtended strand (participates in β ladder)trans-88.6113.9175.6-58.4-89.7000108.6E207E207-H217 VanDerWaalsContact CD-CE1 3.44Å; E207-H217 VanDerWaalsContact CG-ND1 3.32Å; E207-H217 WeakPolarHBondContact CG-ND1 3.44Å; E207-H217 IonicContact OE1-CE1 2.81Å; E207-H217 PolarHBondContact OE1-CE1 3.14Å; E207-H217 IonicContact OE1-ND1 3.18Å; E207-H217 PolarHBondContact OE1-ND1 3.14Å
218V28.7Very low31.3Very low96 Ų96114.5 Ų114.558%0.58262%0.619SS**EExtended strand (participates in β ladder)trans-107.6104.3170.1-175.50000108.1
219I28.1Very low31.4Very low120 Ų120118.9 Ų118.962%0.61563%0.631SS**EExtended strand (participates in β ladder)trans-99104175.3-58172.3000107.1
220G27.5Very low31.6Very low49 Ų49121.8 Ų121.851%0.50564%0.643SS.*EExtended strand (participates in β ladder)trans-94.7108.1170.200000109.7
221K28.2Very low31.5Very low129 Ų129123.3 Ų123.356%0.56165%0.653SS**EExtended strand (participates in β ladder)trans-100.4111.9170.8-159.9-178.9-177.7-117.70107.9D223K221-D223 IonicContact NZ-OD1 3.95Å; K221-D223 PolarHBondContact NZ-OD1 3.08Å; K221-D223 IonicContact NZ-OD2 3.45Å; K221-D223 PolarHBondContact NZ-OD2 2.78Å
222M27.6Very low30.9Very low144 Ų144126 Ų12671%0.70965%0.651SS**  trans-101.891175.5-161.5169.386.400108.9
223D31.2Very low30.5Very low94 Ų94125.8 Ų125.850%0.50365%0.654SS.*  trans-77.6119.2172.2-79.7-35.5000108.9K221 D225K221-D223 IonicContact NZ-OD1 3.95Å; K221-D223 PolarHBondContact NZ-OD1 3.08Å; K221-D223 IonicContact NZ-OD2 3.45Å; K221-D223 PolarHBondContact NZ-OD2 2.78Å; D223-D225 PolarHBondContact O-N 2.94Å; D223-D225 VanDerWaalsContact O-N 3.13Å
224L37.9Very low30.2Very low113 Ų113130 Ų13059%0.59266%0.658SS**G310 helixtrans-73.32.6-170.5-84.1152.6000115E226L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.45Å
225D37.6Very low30.3Very low126 Ų126133.1 Ų133.167%0.67468%0.675SS**G310 helixtrans-76.2-11.7-174.8-72.5-15.5000113.8D223D223-D225 PolarHBondContact O-N 2.94Å; D223-D225 VanDerWaalsContact O-N 3.13Å
226E35.2Very low30.2Very low168 Ų168139.8 Ų139.879%0.78570%0.698SS**G310 helixtrans-85.9-18.9-172.7-140.3170.9-155.900114.4L224 Q228L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.45Å; E226-Q228 VanDerWaalsContact C-N 3.33Å; E226-Q228 PolarHBondContact O-N 2.96Å
227I36.6Very low30.3Very low151 Ų151142 Ų14277%0.77472%0.717SS**THydrogen-bonded Turntrans-80.8-13.1-176.6-60.1178000112.6
228Q33.2Very low30.2Very low173 Ų173141.9 Ų141.981%0.80873%0.728SS**THydrogen-bonded Turntrans-101.92-179.2-115.1178.51500115.8E226E226-Q228 VanDerWaalsContact C-N 3.33Å; E226-Q228 PolarHBondContact O-N 2.96Å
229K31.4Very low30.1Very low168 Ų168144.7 Ų144.773%0.7374%0.74SS**THydrogen-bonded Turntrans-87.2-5.7-176.1-86.8-177.7179.5172.30116.6S231K229-S231 VanDerWaalsContact C-N 3.29Å; K229-S231 PolarHBondContact O-N 3.16Å
230N30Very low30.2Very low168 Ų168145.5 Ų145.590%0.89875%0.75SS**THydrogen-bonded Turntrans-86.912.9-179-78.4-7.3000115.4
231S31Very low30.2Very low90 Ų90152.7 Ų152.763%0.62977%0.767SS**SBendtrans-141.759.5179.146.70000113.4K229K229-S231 VanDerWaalsContact C-N 3.29Å; K229-S231 PolarHBondContact O-N 3.16Å
232R28.1Very low30.3Very low234 Ų234155 Ų15588%0.88378%0.78SS**SBendtrans176.4115.1137.5-98.3159.2-178.6-178.80.8113.3
233S28Very low30.1Very low103 Ų103153.2 Ų153.272%0.7278%0.782SS**  trans55.5114.8143.259.90000121L235S233-L235 PolarHBondContact O-N 3.37Å
234R26.3Very low29.8Very low248 Ų248157.1 Ų157.194%0.93680%0.799SS**  trans6104.7134.2-86.6179.3168.2-178.1-1.4115
235L28.3Very low29.3Very low170 Ų170158.9 Ų158.989%0.8981%0.81SS**  trans-139111.2144.2-91.1164.5000107.7S233S233-L235 PolarHBondContact O-N 3.37Å
236K25.3Very low28.7Very low208 Ų208155.8 Ų155.890%0.90481%0.807SS**  trans-61129.9168.3-71.2172.8173.1178.30108.5
237S28.9Very low28.4Very low124 Ų124156 Ų15687%0.86781%0.812SS**  trans-168.3152.9135.756.50000109.9
238S26Very low28Very low104 Ų104153.7 Ų153.773%0.72781%0.81SS**  trans-104.7152.8-152.747.90000113.6
239N25.5Very low27.5Very low154 Ų154154.1 Ų154.182%0.82481%0.811SS**  trans39.8109146.4-73.9-18.2000119
240V30.7Very low27.5Very low138 Ų138153.9 Ų153.984%0.83682%0.818SS**  trans-142.3119134.8-178.60000109.1
241K26.7Very low27.4Very low199 Ų199154.7 Ų154.787%0.86581%0.813SS**  trans-80.1139.3166.8-73.9174.8172.2178.20109.4
242Q30.6Very low27.4Very low178 Ų178158.5 Ų158.583%0.83283%0.826SS**  trans-174.292.8153.9-102.9165.915.300106.2
243S24.2Very low27.3Very low106 Ų106155.1 Ų155.174%0.74182%0.821SS**  58.998.575.880.50000116.4
244M23.6Very low27.1Very low177 Ų177155.9 Ų155.987%0.87282%0.815SS**  71.9144.1124.5-111.6179.3176.400122.8
245N28.3Very low27.4Very low150 Ų150151.1 Ų151.180%0.80281%0.809SS**  trans91.6121.4161.8-55.6-16.4000114.5
246G25Very low27.3Very low61 Ų61150.6 Ų150.663%0.62981%0.807SS**  cis122.7161.530.400000107.7
247I27.7Very low27.7Very low171 Ų171146.2 Ų146.288%0.87780%0.802SS**  trans96.3131.4173.6-50.5156.8000113.8
248S28.1Very low27.7Very low104 Ų104149.5 Ų149.573%0.72780%0.801SS**  cis-172.8149.2-25.652.30000106.6
249H23.2Very low27.6Very low182 Ų182149.1 Ų149.184%0.84380%0.798SS**  trans-59.6139.5174.3-80.3-86.9000113.7
250D31.8Very low27.8Very low162 Ų162150.2 Ų150.287%0.86680%0.798SS**  trans-112112.8153.4-109.6-23.2000109
251K27.3Very low27.5Very low185 Ų185150.8 Ų150.880%0.80480%0.797SS**  trans-83.6124.3167.3-79.1178.8172.5-177.70107
252N31.1Very low27.7Very low170 Ų170149.8 Ų149.891%0.90979%0.794SS**  trans-122.5126.1155.7-95.1-28.3000109.9
253E25.7Very low27.6Very low163 Ų163146.5 Ų146.576%0.76279%0.791SS**  trans-108.4157.4-162.7-140.3-173.3-177.100107.6
254I25.7Very low27.8Very low119 Ų119146.9 Ų146.961%0.6179%0.794SS**  trans81.6105.7149.8-52.7154.2000117
255N30.9Very low27.9Very low149 Ų149149.7 Ų149.780%0.79780%0.795SS**  -177.3133.399.4-99.9-44.9000115.8
256N27.1Very low28Very low159 Ų159150.9 Ų150.985%0.8580%0.8SS**  trans-63.5141.1175.2-72.1-49.4000114
257S32.9Very low28.2Very low115 Ų115157.5 Ų157.580%0.80482%0.815SS**  trans-151.7101.5146.6630000113.5
258K28.7Very low28.2Very low194 Ų194152.2 Ų152.284%0.84380%0.803SS**  trans49.2105.7138.2-82.4175.5174.5173.50120.5
259S25.9Very low28.2Very low96 Ų96156.4 Ų156.467%0.67181%0.811SS**  trans-15.1123.2139.660.90000117.5
260H28.1Very low28.5Very low177 Ų177156 Ų15682%0.81981%0.813SS**  trans-121.4105.4150.1-91.32.2000109.7
261N25.5Very low28.4Very low150 Ų150156.2 Ų156.280%0.80281%0.814SS**  trans-70.7118.4165.8-75.4-28.6000108.8
262H30.2Very low28.5Very low177 Ų177158.4 Ų158.482%0.81982%0.817SS**  trans-132.294.8155.7-85.2-62.5000110.5
263S28.3Very low28.5Very low109 Ų109155 Ų15576%0.76281%0.806SS**  trans15.5115.4144.4-166.60000118.6
264S28.8Very low28.7Very low115 Ų115155.5 Ų155.580%0.80481%0.814SS**  trans-43.4120.4152.152.10000114.5
265R26.4Very low28.8Very low236 Ų236160.1 Ų160.189%0.89182%0.824SS**  trans-160.584151.4-153.4174.2-175.9172.91.2111.7
266L29.8Very low28.6Very low174 Ų174164.5 Ų164.591%0.91183%0.83SS**  trans-152.845.4161.8-117.2139.2000111.1
267E29.3Very low28.8Very low200 Ų200164.4 Ų164.494%0.93583%0.828SS**  trans-83.7114.9155.2-84.4-177.314600108
268G27.1Very low28.6Very low61 Ų61166.3 Ų166.363%0.62983%0.827SS**  trans16821.7176.700000117.1
269H27.5Very low28.5Very low192 Ų192165.6 Ų165.689%0.88982%0.824SS**  trans-149.557.7171-88.1-69.4000112.2
270L30.7Very low28.7Very low172 Ų172165.9 Ų165.990%0.90182%0.824SS**  trans-128.251.8170.9-91.1168.4000112
271L29.7Very low28.8Very low167 Ų167165.9 Ų165.987%0.87482%0.824SS**  trans-146.779.2166.5-74.4176.1000110.3
272R29.5Very low28.9Very low232 Ų232167.5 Ų167.588%0.87583%0.825SS**  trans175.972.5150-103.2174.3177-165.80.6111.7
273S31.8Very low28.7Very low97 Ų97168.2 Ų168.268%0.67883%0.828SS**  trans-141.396150.2710000108.6R275S273-R275 PolarHBondContact O-N 2.81Å
274N28.2Very low28.6Very low175 Ų175167.2 Ų167.294%0.93683%0.827SS**  trans-68.561.1168.6-84.4-17.8000110.1
275R28.4Very low28.4Very low215 Ų215170.2 Ų170.281%0.81183%0.828SS**  trans-75.6122.3158.8-79.3-171.4177.7-170.31.6106.1S273 L277S273-R275 PolarHBondContact O-N 2.81Å; R275-L277 PolarHBondContact O-N 2.71Å
276R27.1Very low28.3Very low242 Ų242166.3 Ų166.391%0.91382%0.82SS**  trans-52.3105170.4-72.2177.4175.2175.5-2.6107.6I278R276-I278 PolarHBondContact O-N 3.42Å
277L31Very low28.2Very low156 Ų156165.2 Ų165.282%0.81781%0.814SS**  trans-62.1105.7165.3-101.698.7000106.4R275 K279R275-L277 PolarHBondContact O-N 2.71Å; L277-K279 PolarHBondContact O-N 3.24Å
278I28.1Very low28.1Very low155 Ų155163.4 Ų163.480%0.79581%0.806SS**  trans-70105155.6-61.5171.7000103.3R276 P280R276-I278 PolarHBondContact O-N 3.42Å; I278-P280 VanDerWaalsContact O-CD 3.23Å; I278-P280 WeakPolarHBondContact O-CD 3.42Å; I278-P280 VanDerWaalsContact O-N 3.17Å
279K28Very low28Very low179 Ų179167.4 Ų167.478%0.77881%0.808SS**  trans-56118.3172.4-90.5-173.5170.8-170.50107.5L277 E281L277-K279 PolarHBondContact O-N 3.24Å; K279-E281 PolarHBondContact O-N 2.69Å
280P30.1Very low27.9Very low102 Ų102164.3 Ų164.366%0.66280%0.798SS**  trans-65.5121168.3-10.826.5000107.1I278 F282I278-P280 VanDerWaalsContact O-CD 3.23Å; I278-P280 WeakPolarHBondContact O-CD 3.42Å; I278-P280 VanDerWaalsContact O-N 3.17Å; P280-F282 PolarHBondContact O-N 3.1Å
281E29.5Very low27.6Very low177 Ų177163 Ų16383%0.82779%0.79SS**SBendtrans-71.58.7179.7-75.9-175.6160.100113.8K279K279-E281 PolarHBondContact O-N 2.69Å
282F28.3Very low27.3Very low184 Ų184162.9 Ų162.981%0.80779%0.79SS**  trans-135.698.8174.2-71.7-83.6000109.4P280 A284P280-F282 PolarHBondContact O-N 3.1Å; F282-A284 VanDerWaalsContact C-N 3.29Å; F282-A284 PolarHBondContact O-N 3.26Å; F282-A284 VanDerWaalsContact O-N 3.09Å
283E24.9Very low27Very low192 Ų192158.5 Ų158.590%0.89778%0.78SS**  trans-70.690.5160.4-72.5178.1177.600106.8E285E283-E285 PolarHBondContact O-N 2.96Å
284A26.6Very low26.6Very low89 Ų89158.8 Ų158.874%0.73679%0.787SS**  trans-69.5113.6159.700000106.1F282 Q286F282-A284 VanDerWaalsContact C-N 3.29Å; F282-A284 PolarHBondContact O-N 3.26Å; F282-A284 VanDerWaalsContact O-N 3.09Å; A284-Q286 PolarHBondContact O-N 3.14Å
285E23.5Very low26.4Very low178 Ų178159.6 Ų159.683%0.83278%0.777SS**  trans-53.6101.8172.3-77.5-177.615400108.7E283 L287E283-E285 PolarHBondContact O-N 2.96Å; E285-L287 PolarHBondContact O-N 3.28Å
286Q26.1Very low26.2Very low153 Ų153157.5 Ų157.572%0.71578%0.781SS**  trans-77.381.1177.4-171.5174.3-1400107A284 Q288A284-Q286 PolarHBondContact O-N 3.14Å; Q286-Q288 PolarHBondContact O-N 3.33Å
287L26.9Very low26.2Very low152 Ų152152.3 Ų152.380%0.79678%0.777SS**  trans-64.3105.2171-73168000108.1E285E285-L287 PolarHBondContact O-N 3.28Å
288Q27.9Very low25.9Very low162 Ų162148 Ų14876%0.75777%0.77SS**  trans79.698.7162.5-136.5138.13.700116.2Q286 N290Q286-Q288 PolarHBondContact O-N 3.33Å; Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-N 3.42Å
289E25.1Very low25.9Very low145 Ų145147.4 Ų147.468%0.67877%0.774SS**  trans-68.686.6164.3-68.9-175.5159.900110.1I291E289-I291 PolarHBondContact O-N 2.76Å; E289-I291 VanDerWaalsContact O-N 3.08Å
290N25.4Very low25.9Very low126 Ų126147.1 Ų147.167%0.67478%0.779SS**  trans-76.194.2164.3-72.3-16.3000108Q288 L292Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-N 3.42Å; N290-L292 PolarHBondContact O-N 3.13Å; N290-L292 VanDerWaalsContact O-N 3.09Å
291I24.2Very low25.9Very low144 Ų144145 Ų14574%0.73878%0.776SS**  trans-62.2109.1173.9-61.8171.2000108.1E289 E293E289-I291 PolarHBondContact O-N 2.76Å; E289-I291 VanDerWaalsContact O-N 3.08Å; I291-E293 PolarHBondContact O-N 3.34Å
292L23.4Very low25.7Very low166 Ų166145.6 Ų145.687%0.86978%0.779SS**  trans-83.693.8177.5-69.4161.2000109.3N290 A294N290-L292 PolarHBondContact O-N 3.13Å; N290-L292 VanDerWaalsContact O-N 3.09Å; L292-A294 PolarHBondContact O-N 3.1Å
293E22.6Very low25.6Very low140 Ų140143.1 Ų143.165%0.65478%0.778SS**  trans-83.695.4164.2-90.7-162.9-171.100109.6I291 R295I291-E293 PolarHBondContact O-N 3.34Å; E293-R295 PolarHBondContact O-N 3.33Å; E293-R295 IonicContact OE2-CZ 2.76Å; E293-R295 IonicContact OE2-NE 2.61Å; E293-R295 PolarHBondContact OE2-NE 3.09Å; E293-R295 IonicContact OE2-NH2 3.33Å; E293-R295 PolarHBondContact OE2-NH2 3.32Å
294A24.1Very low25.6Very low102 Ų102139.3 Ų139.384%0.84377%0.768SS**  trans-78.2108.1167.900000109.4L292L292-A294 PolarHBondContact O-N 3.1Å
295R23.3Very low25.5Very low192 Ų192140.3 Ų140.373%0.72577%0.767SS**  trans-103114.5169.5-70.2-171.3-172.6-174.83.3110.2E293 T297E293-R295 PolarHBondContact O-N 3.33Å; E293-R295 IonicContact OE2-CZ 2.76Å; E293-R295 IonicContact OE2-NE 2.61Å; E293-R295 PolarHBondContact OE2-NE 3.09Å; E293-R295 IonicContact OE2-NH2 3.33Å; E293-R295 PolarHBondContact OE2-NH2 3.32Å; R295-T297 PolarHBondContact O-N 2.99Å; R295-T297 VanDerWaalsContact O-N 3.16Å
296L25.1Very low25.6Very low171 Ų171137.9 Ų137.990%0.89576%0.764SS**  trans-65.3106169.3-170.182.1000108.7
297T25.4Very low25.5Very low134 Ų134137.5 Ų137.582%0.82277%0.767SS**  trans-112.9101.7174.945.90000109.6R295R295-T297 PolarHBondContact O-N 2.99Å; R295-T297 VanDerWaalsContact O-N 3.16Å
298G26.2Very low25.5Very low66 Ų66136.9 Ų136.968%0.6876%0.763SS**  trans103.6107.8163.800000116
299T27.3Very low25.5Very low141 Ų141137.9 Ų137.987%0.86577%0.765SS**  trans-80.8115.6157.331.70000108.6G301T299-G301 PolarHBondContact O-N 2.76Å
300I28.8Very low25.6Very low174 Ų174137.6 Ų137.689%0.89277%0.768SS**  trans-74.6118.2179-65.7172000109.8
301G28.6Very low25.7Very low58 Ų58139.9 Ų139.960%0.59878%0.775SS**  trans85.3102.2143.900000117.1T299 V303T299-G301 PolarHBondContact O-N 2.76Å; G301-V303 PolarHBondContact O-N 3.25Å; G301-V303 VanDerWaalsContact O-N 3.1Å
302Q25.9Very low25.7Very low188 Ų188140.5 Ų140.588%0.87978%0.778SS**  trans-44.9114.8160-83174.6-23.300110.7V304Q302-V304 PolarHBondContact O-N 3.25Å; Q302-V304 VanDerWaalsContact O-N 3.09Å
303V26.3Very low25.9Very low132 Ų132137.1 Ų137.180%0.876%0.764SS**  trans-69.4102.5162.6-179.40000106.3G301 P305G301-V303 PolarHBondContact O-N 3.25Å; G301-V303 VanDerWaalsContact O-N 3.1Å; V303-P305 VanDerWaalsContact O-CD 3.25Å; V303-P305 WeakPolarHBondContact O-CD 3.48Å
304V24.5Very low26.1Very low112 Ų112137.4 Ų137.468%0.67977%0.771SS**  trans-66.6115.4169.51780000106.8Q302 V306Q302-V304 PolarHBondContact O-N 3.25Å; Q302-V304 VanDerWaalsContact O-N 3.09Å; V304-V306 PolarHBondContact O-N 3.15Å; V304-V306 VanDerWaalsContact O-N 3.08Å
305P26Very low26.2Very low110 Ų110139.4 Ų139.471%0.71477%0.766SS**  trans-66.5113.1-179.625.1-30.7000109.1V303 N307V303-P305 VanDerWaalsContact O-CD 3.25Å; V303-P305 WeakPolarHBondContact O-CD 3.48Å; P305-N307 PolarHBondContact O-N 2.95Å
306V25.1Very low26.4Very low127 Ų127137.6 Ų137.677%0.7777%0.771SS**  trans-68.1103.6172.6179.50000107.3V304 I308V304-V306 PolarHBondContact O-N 3.15Å; V304-V306 VanDerWaalsContact O-N 3.08Å; V306-I308 HydrophobicContact CG1-CG1 4.22Å; V306-I308 PolarHBondContact O-N 3.45Å
307N24.2Very low26.5Very low145 Ų145133.1 Ų133.178%0.77575%0.754SS**  trans-75.691.5176.7-142.3-5.3000107.3P305 K309P305-N307 PolarHBondContact O-N 2.95Å; N307-K309 PolarHBondContact O-N 3.02Å
308I26Very low26.5Very low139 Ų139133.4 Ų133.471%0.71376%0.756SS**  trans-69.389173.7-55.7173.2000106.3V306 N310V306-I308 HydrophobicContact CG1-CG1 4.22Å; V306-I308 PolarHBondContact O-N 3.45Å; I308-N310 PolarHBondContact O-N 3.39Å
309K27.2Very low26.7Very low183 Ų183135.5 Ų135.580%0.79676%0.755SS**  trans-64.7117167.6-84.9-175.2174.6-1790107.2N307 E311N307-K309 PolarHBondContact O-N 3.02Å; K309-E311 VanDerWaalsContact C-N 3.32Å; K309-E311 PolarHBondContact O-N 3.12Å
310N28Very low26.6Very low139 Ų139131.8 Ų131.874%0.74375%0.745SS**  trans-54.889171.3-68.5-18.3000110.7I308 L312I308-N310 PolarHBondContact O-N 3.39Å; N310-L312 PolarHBondContact O-N 3.41Å
311E26.8Very low26.4Very low175 Ų175131.5 Ų131.582%0.81874%0.742SS**  trans-8580.5151.6-100.1-177.8168.700107.4K309 V313K309-E311 VanDerWaalsContact C-N 3.32Å; K309-E311 PolarHBondContact O-N 3.12Å; E311-V313 HydrophobicContact CB-CG2 4.07Å; E311-V313 HydrophobicContact CG-CG2 4.11Å; E311-V313 PolarHBondContact O-N 3.25Å
312L24.8Very low26.4Very low156 Ų156136.4 Ų136.482%0.81775%0.754SS**  trans-65.369.7155.1-86.2151000107.6N310 N314N310-L312 PolarHBondContact O-N 3.41Å; L312-N314 PolarHBondContact O-N 3.34Å
313V26.9Very low26.4Very low95 Ų95135.5 Ų135.558%0.57675%0.75SS**  trans-87108.6166.4178.80000106.1E311 L315E311-V313 HydrophobicContact CB-CG2 4.07Å; E311-V313 HydrophobicContact CG-CG2 4.11Å; E311-V313 PolarHBondContact O-N 3.25Å; V313-L315 VanDerWaalsContact C-N 3.32Å; V313-L315 PolarHBondContact O-N 3.34Å
314N27.4Very low26.5Very low147 Ų147137.5 Ų137.579%0.78675%0.751SS**  trans-44.690.7170.4-78.8-30.4000111.2L312 N316L312-N314 PolarHBondContact O-N 3.34Å; N314-N316 VanDerWaalsContact C-N 3.28Å; N314-N316 PolarHBondContact O-N 2.86Å; N314-N316 VanDerWaalsContact O-N 3.16Å
315L26.9Very low26.7Very low144 Ų144140.1 Ų140.175%0.75476%0.761SS**  trans-84.981.8164.5-94.6134.5000107.7V313 S317V313-L315 VanDerWaalsContact C-N 3.32Å; V313-L315 PolarHBondContact O-N 3.34Å; L315-S317 PolarHBondContact O-N 3.46Å
316N27.2Very low26.8Very low153 Ų153144 Ų14482%0.81877%0.766SS**  trans-63.673.8148.4-77.2-19.2000107.6N314 T318N314-N316 VanDerWaalsContact C-N 3.28Å; N314-N316 PolarHBondContact O-N 2.86Å; N314-N316 VanDerWaalsContact O-N 3.16Å; N316-T318 PolarHBondContact O-N 2.83Å
317S26.9Very low26.8Very low77 Ų77145.2 Ų145.254%0.53876%0.764SS.*  trans-86.395.2168.967.40000107.7L315 V319L315-S317 PolarHBondContact O-N 3.46Å; S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 3.16Å
318T26.7Very low26.9Very low140 Ų140147 Ų14786%0.85977%0.765SS**  trans-44.194.6153.5230000109.3N316 G320N316-T318 PolarHBondContact O-N 2.83Å; T318-G320 PolarHBondContact O-N 3.15Å
319V29.4Very low26.8Very low110 Ų110145.4 Ų145.467%0.66777%0.766SS**  trans-73.6108.2167.2176.20000106S317 M321S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 3.16Å; V319-M321 PolarHBondContact O-N 3.06Å; V319-M321 VanDerWaalsContact O-N 3.07Å
320G25.1Very low26.6Very low64 Ų64145.7 Ų145.766%0.6677%0.77SS**  trans-50.7113.4176.100000110.5T318 N322T318-G320 PolarHBondContact O-N 3.15Å; G320-N322 PolarHBondContact O-N 2.86Å
321M25.1Very low26.4Very low167 Ų167145.6 Ų145.682%0.82377%0.774SS**  trans-68.1107.5166.9-72.4-72115.400107.1V319 E323V319-M321 PolarHBondContact O-N 3.06Å; V319-M321 VanDerWaalsContact O-N 3.07Å; M321-E323 PolarHBondContact O-N 3.06Å
322N27.5Very low26.2Very low161 Ų161143.4 Ų143.486%0.86177%0.768SS**  trans-61.3119.7163.7-84-22.3000108G320 H324G320-N322 PolarHBondContact O-N 2.86Å; N322-H324 PolarHBondContact O-N 3.09Å; N322-H324 VanDerWaalsContact O-N 3.16Å
323E27.3Very low26.2Very low169 Ų169143.6 Ų143.679%0.7977%0.769SS**SBendtrans-54.5111.2165.2-71.3177.2126.200109.6M321M321-E323 PolarHBondContact O-N 3.06Å
324H27.5Very low26Very low174 Ų174147 Ų14781%0.80678%0.778SS**  trans17088.8135.3-90.9-55.7000108.3N322N322-H324 PolarHBondContact O-N 3.09Å; N322-H324 VanDerWaalsContact O-N 3.16Å
325D29.4Very low26Very low167 Ų167144.2 Ų144.289%0.89378%0.775SS**  trans-178.273.7134.9-86.2-20.8000107.8H327D325-H327 PolarHBondContact O-N 3.2Å
326K26.5Very low25.9Very low192 Ų192146.5 Ų146.584%0.83578%0.779SS**  trans-71.1112.3163.1-81176.7175.6171.20107.2
327H25.6Very low25.6Very low153 Ų153145.5 Ų145.571%0.70878%0.779SS**  178.1123126.2-103.9-73.2000112.9D325D325-H327 PolarHBondContact O-N 3.2Å
328F25.8Very low25.5Very low182 Ų182147.4 Ų147.480%0.79879%0.792SS**SBendtrans66.6118.7158.5-66.8-73.4000117.1
329S24.3Very low25.3Very low106 Ų106146.9 Ų146.974%0.74179%0.789SS**  cis-152.5123.125-56.90000110.2T331S329-T331 PolarHBondContact O-N 3.18Å
330E24.1Very low25.1Very low189 Ų189150.3 Ų150.388%0.88380%0.798SS**  trans-87.8100179.9-144.5170.4-16500108.4N332E330-N332 PolarHBondContact O-N 2.96Å
331T23.9Very low25Very low136 Ų136152.7 Ų152.783%0.83480%0.804SS**  trans-81.194.5163.826.10000108.5S329 I333S329-T331 PolarHBondContact O-N 3.18Å; T331-I333 PolarHBondContact O-N 3.11Å; T331-I333 VanDerWaalsContact O-N 3.12Å
332N22Very low25Very low129 Ų129150.2 Ų150.269%0.6980%0.8SS**  trans-63.795.6-177.9-154.8-10.6000111.2E330E330-N332 PolarHBondContact O-N 2.96Å
333I25.5Very low24.8Very low160 Ų160152.4 Ų152.482%0.82180%0.802SS**  trans-97.792.6165.5-59.5179.8000107.6T331 A335T331-I333 PolarHBondContact O-N 3.11Å; T331-I333 VanDerWaalsContact O-N 3.12Å; I333-A335 PolarHBondContact O-N 3.29Å
334H22.3Very low24.8Very low167 Ų167150.6 Ų150.677%0.77380%0.803SS**  trans-75.582.6-180-149.618.4000109.7K336H334-K336 PolarHBondContact O-N 3.43Å
335A26.3Very low24.6Very low88 Ų88149.6 Ų149.673%0.72780%0.803SS**  trans-79.998.9171.100000109.2I333 T337I333-A335 PolarHBondContact O-N 3.29Å; A335-T337 PolarHBondContact O-N 3.44Å
336K25.1Very low24.3Very low192 Ų192147.2 Ų147.284%0.83579%0.794SS**  trans-51.9119.6173.4-89.9175.3172.8174.80110.8H334 S338H334-K336 PolarHBondContact O-N 3.43Å; K336-S338 PolarHBondContact O-N 3.11Å
337T21.7Very low24.2Very low133 Ų133145 Ų14582%0.81679%0.792SS**  trans-52.2115.1158.5360000110.5A335A335-T337 PolarHBondContact O-N 3.44Å
338S24.6Very low24.3Very low117 Ų117146.5 Ų146.582%0.81880%0.799SS**  trans-108.886.1158.2-178.80000107.6K336 E340K336-S338 PolarHBondContact O-N 3.11Å; S338-E340 PolarHBondContact O-N 3.25Å
339T22.4Very low24.1Very low129 Ų129145.4 Ų145.479%0.79180%0.801SS**  trans-62.9107.6158.4290000109.1
340E25.7Very low24Very low182 Ų182145.1 Ų145.185%0.8580%0.799SS**  trans-162.3125.9138.1-125.1173.3173.900109.9S338 P342S338-E340 PolarHBondContact O-N 3.25Å; E340-P342 WeakPolarHBondContact O-CD 3.43Å
341S21.9Very low24.1Very low114 Ų114141.6 Ų141.680%0.79780%0.795SS**  trans-92.2113.3-179.17.20000108.2K343S341-K343 PolarHBondContact O-N 2.67Å
342P25.4Very low24.1Very low114 Ų114140.3 Ų140.374%0.7479%0.792SS**  trans-85.4109.6167.519.3-4.6000108.2E340 V344E340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-V344 PolarHBondContact O-N 2.8Å
343K24.6Very low24.3Very low208 Ų208141.5 Ų141.590%0.90480%0.797SS**  trans-57103.6160.2-76.8173.7174.4173.90108.3S341 N345S341-K343 PolarHBondContact O-N 2.67Å; K343-N345 PolarHBondContact O-N 3.35Å
344V25.6Very low24.2Very low131 Ų131141.2 Ų141.279%0.79480%0.797SS**  trans-91.4102.9171.1179.70000108.1P342P342-V344 PolarHBondContact O-N 2.8Å
345N24.8Very low24.3Very low152 Ų152139.8 Ų139.881%0.81379%0.794SS**  trans-76.5134.7170.1-164.95.8000108.9K343K343-N345 PolarHBondContact O-N 3.35Å
346V23Very low24.2Very low117 Ų117142.3 Ų142.371%0.70980%0.796SS**  trans-80.1118.8179.8-177.50000107.6
347N23.1Very low24.2Very low147 Ų147141.2 Ų141.279%0.78680%0.799SS**  trans177.7142.7145.2-86.9-17.4000111.4
348E28Very low24.4Very low183 Ų183141.1 Ų141.186%0.85580%0.799SS**  trans76.496.2168.3-65.5179.3149.100116.7
349L22.8Very low24.3Very low159 Ų159140.6 Ų140.683%0.83280%0.795SS**  57113.890.5-94.5104.4000115.4
350S22.2Very low24.4Very low101 Ų101142 Ų14271%0.70680%0.797SS**  trans71.4101138.2-49.60000118.4
351S24.9Very low24.2Very low114 Ų114138.3 Ų138.380%0.79779%0.791SS**  173.5135110.955.10000110.4
352S24.1Very low24.3Very low110 Ų110139.8 Ų139.877%0.76979%0.788SS**  trans-31.3128.1164.353.30000114.7
353L25.3Very low24.3Very low153 Ų153139.7 Ų139.780%0.80179%0.791SS**  trans-150.2113.1145.9-149.677.6000109.8L355L353-L355 HydrophobicContact CD2-CD1 3.98Å; L353-L355 PolarHBondContact O-N 3.31Å
354D24Very low24.3Very low155 Ų155139 Ų13983%0.82979%0.788SS**  trans-50127162.5-75.9-50.9000110.7
355L25.5Very low24.1Very low136 Ų136137.6 Ų137.671%0.71278%0.784SS**  trans-149.293.5156.9-110.5117.3000110L353 N357L353-L355 HydrophobicContact CD2-CD1 3.98Å; L353-L355 PolarHBondContact O-N 3.31Å; L355-N357 PolarHBondContact O-N 3Å
356N24.3Very low24.1Very low142 Ų142136.3 Ų136.376%0.75978%0.781SS**  trans30.587.5132.7-64.6-22.6000115.7T358N356-T358 VanDerWaalsContact C-N 3.35Å; N356-T358 PolarHBondContact O-N 3.17Å; N356-T358 PolarHBondContact O-OG1 3.41Å
357N24.4Very low24.1Very low169 Ų169137.4 Ų137.490%0.90478%0.783SS**  trans-61.499163.6-84.7-21.4000109.4L355 S359L355-N357 PolarHBondContact O-N 3Å; N357-S359 PolarHBondContact O-N 2.75Å
358T24.9Very low24Very low131 Ų131137.3 Ų137.380%0.80478%0.782SS**  trans-69.7109.5171.3-50.50000107N356 L360N356-T358 VanDerWaalsContact C-N 3.35Å; N356-T358 PolarHBondContact O-N 3.17Å; N356-T358 PolarHBondContact O-OG1 3.41Å; T358-L360 PolarHBondContact O-N 3.01Å; T358-L360 VanDerWaalsContact O-N 3.09Å
359S23.6Very low23.8Very low105 Ų105136 Ų13673%0.73478%0.779SS**  trans-65.2104.117842.80000110.2N357 S361N357-S359 PolarHBondContact O-N 2.75Å; S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 3.22Å
360L23.7Very low23.8Very low159 Ų159137.3 Ų137.383%0.83278%0.781SS**  trans-71.890171.5-15782.4000108.6T358 I362T358-L360 PolarHBondContact O-N 3.01Å; T358-L360 VanDerWaalsContact O-N 3.09Å; L360-I362 PolarHBondContact O-N 2.93Å
361S23.1Very low23.9Very low105 Ų105137.7 Ų137.773%0.73478%0.784SS**  trans-76.2100.6174.434.40000109.4S359 S363S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 3.22Å; S361-S363 PolarHBondContact O-N 3.49Å; S361-S363 VanDerWaalsContact O-N 3.12Å
362I23.8Very low23.9Very low144 Ų144139.2 Ų139.274%0.73878%0.783SS**  trans-75.198.4170-63166.4000107.3L360 K364L360-I362 PolarHBondContact O-N 2.93Å; I362-K364 PolarHBondContact O-N 3.35Å
363S23.8Very low23.9Very low113 Ų113142.5 Ų142.579%0.7979%0.786SS**  trans-65.4108.917241.70000109.8S361 S365S361-S363 PolarHBondContact O-N 3.49Å; S361-S363 VanDerWaalsContact O-N 3.12Å; S363-S365 PolarHBondContact O-N 3.19Å; S363-S365 VanDerWaalsContact O-N 3.13Å
364K24.7Very low23.8Very low194 Ų194141.8 Ų141.884%0.84378%0.783SS**  trans-68.5104.3169.2-77.2177.9176.8175.30108.5I362 V366I362-K364 PolarHBondContact O-N 3.35Å; K364-V366 PolarHBondContact O-N 2.87Å
365S22.3Very low23.8Very low101 Ų101139.7 Ų139.771%0.70678%0.781SS**  trans-67110.8167.762.70000109.1S363 N367S363-S365 PolarHBondContact O-N 3.19Å; S363-S365 VanDerWaalsContact O-N 3.13Å; S365-N367 PolarHBondContact O-N 2.96Å
366V24.1Very low23.6Very low124 Ų124140.5 Ų140.575%0.75278%0.784SS**  trans-70.3104.9172.4175.70000107.9K364 N368K364-V366 PolarHBondContact O-N 2.87Å; V366-N368 PolarHBondContact O-N 3.28Å; V366-N368 VanDerWaalsContact O-N 3.17Å
367N23.6Very low23.5Very low141 Ų141140.6 Ų140.675%0.75478%0.783SS**  trans-75.8100.5167.4-79.7-18000108.3S365 I369S365-N367 PolarHBondContact O-N 2.96Å; N367-I369 PolarHBondContact O-N 3.45Å; N367-I369 VanDerWaalsContact O-N 3.12Å
368N21.5Very low23.4Very low145 Ų145138.7 Ų138.778%0.77578%0.778SS**  trans-55106.5164.9-99.2-16.4000109.6V366V366-N368 PolarHBondContact O-N 3.28Å; V366-N368 VanDerWaalsContact O-N 3.17Å
369I23.4Very low23.2Very low154 Ų154138 Ų13879%0.7977%0.773SS**  trans-10497.9157.7-62.2177.8000105.9N367 S371N367-I369 PolarHBondContact O-N 3.45Å; N367-I369 VanDerWaalsContact O-N 3.12Å; I369-S371 PolarHBondContact O-N 2.68Å; I369-S371 VanDerWaalsContact O-N 3.15Å
370Q22.1Very low23.1Very low188 Ų188139 Ų13988%0.87978%0.776SS**  trans-72.892.8177.9-168.6167.33.300108.3
371S24.9Very low23.1Very low108 Ų108137.1 Ų137.176%0.75577%0.771SS**  trans-91.6114.8172.957.20000109.7I369I369-S371 PolarHBondContact O-N 2.68Å; I369-S371 VanDerWaalsContact O-N 3.15Å
372N24.7Very low23Very low146 Ų146139.5 Ų139.578%0.78178%0.775SS**  trans-59.7133.5-171.2-148.89.7000113.4N374N372-N374 PolarHBondContact O-N 3.35Å
373E23.7Very low23.2Very low180 Ų180140.4 Ų140.484%0.84178%0.781SS**  trans-68104.9172.1-67.4173.7151.300110
374N24.8Very low23.1Very low138 Ų138139.5 Ų139.574%0.73878%0.775SS**  trans-117.8100.8160.5-85.9-5.4000108.4N372 I376N372-N374 PolarHBondContact O-N 3.35Å; N374-I376 PolarHBondContact O-N 3.01Å
375S22.9Very low23.1Very low111 Ų111137 Ų13778%0.77677%0.77SS**  trans-57.6117.8168.147.20000110.2
376I22.5Very low23.2Very low152 Ų152138.7 Ų138.778%0.77977%0.771SS**  trans-99.9107.1168-62.3176.8000106.5N374 T378N374-I376 PolarHBondContact O-N 3.01Å; I376-T378 PolarHBondContact O-N 3.24Å
377I21.3Very low23.3Very low144 Ų144140.1 Ų140.174%0.73878%0.775SS**  trans-71.6109173.1-63168.8000107T379I377-T379 PolarHBondContact O-N 3.08Å
378T21.4Very low23.5Very low130 Ų130141.4 Ų141.480%0.79878%0.781SS**  trans-83.997.6175.6-43.70000109I376I376-T378 PolarHBondContact O-N 3.24Å
379T21.4Very low23.7Very low115 Ų115140.3 Ų140.371%0.70678%0.782SS**  trans-76120.6171.2-21.70000109.2I377 T381I377-T379 PolarHBondContact O-N 3.08Å; T379-T381 PolarHBondContact O-N 3.24Å
380T21.3Very low23.8Very low128 Ų128139.4 Ų139.479%0.78578%0.783SS**  trans-65.6112.5171.928.70000110.6
381T23.6Very low23.9Very low118 Ų118137.7 Ų137.772%0.72478%0.779SS**  trans-108.3103.316438.80000109.3T379 L383T379-T381 PolarHBondContact O-N 3.24Å; T381-L383 PolarHBondContact O-N 2.85Å
382N21.7Very low23.8Very low156 Ų156140.9 Ų140.983%0.83478%0.782SS**  trans-60.2115.2163.2-71.2-31.7000108.8
383L27.4Very low23.8Very low162 Ų162143.8 Ų143.885%0.84878%0.784SS**  trans-121.5104.1167-92154000108T381T381-L383 PolarHBondContact O-N 2.85Å
384S22.3Very low23.8Very low95 Ų95140.8 Ų140.866%0.66478%0.782SS**  trans-72.4160.6167.5-380000111
385D24.1Very low23.9Very low141 Ų141143.6 Ų143.675%0.75479%0.788SS**  trans89.3108.6155.3-56.3-16.2000118.8
386D24.6Very low24Very low136 Ų136143.2 Ų143.273%0.72779%0.785SS**  63.9119127.4-66.1-19.2000120.1
387N26.6Very low24.1Very low154 Ų154143.6 Ų143.682%0.82479%0.788SS**  trans120.682.4145.4-61.4-58.3000113.9
388L26.5Very low24.3Very low168 Ų168144 Ų14488%0.8879%0.791SS**  trans-135121.6149.2-104.2130.9000109.8V390L388-V390 PolarHBondContact O-N 3.25Å
389P26.5Very low24.3Very low123 Ų123142.4 Ų142.480%0.79978%0.784SS**  trans-77115.8-165.430.4-33000110.4L391P389-L391 PolarHBondContact O-N 2.91Å; P389-L391 VanDerWaalsContact O-N 3.14Å
390V25.7Very low24.5Very low134 Ų134141.4 Ų141.481%0.81278%0.782SS**  trans-65.5110167.5175.80000108.1L388 Q392L388-V390 PolarHBondContact O-N 3.25Å; V390-Q392 VanDerWaalsContact C-N 3.3Å; V390-Q392 PolarHBondContact O-N 3.37Å
391L24.2Very low24.6Very low152 Ų152141.3 Ų141.380%0.79678%0.781SS**  trans-59.392167.7-102.4143000109.1P389 Y393P389-L391 PolarHBondContact O-N 2.91Å; P389-L391 VanDerWaalsContact O-N 3.14Å; L391-Y393 PolarHBondContact O-N 2.95Å
392Q23.4Very low24.6Very low176 Ų176141.8 Ų141.882%0.82278%0.784SS**  trans-74.992.7-178.4-156.6174.711.600109.2V390 S394V390-Q392 VanDerWaalsContact C-N 3.3Å; V390-Q392 PolarHBondContact O-N 3.37Å; Q392-S394 PolarHBondContact O-N 3.1Å
393Y24.6Very low24.8Very low206 Ų206138.8 Ų138.881%0.80878%0.775SS**  trans-60.3121.1168.5-87.2-89000109.5L391 K395L391-Y393 PolarHBondContact O-N 2.95Å; Y393-K395 PolarHBondContact O-N 2.61Å
394S23.9Very low24.6Very low117 Ų117138.4 Ų138.482%0.81877%0.774SS**  trans-63.796.2-176.5-31.80000110Q392 S396Q392-S394 PolarHBondContact O-N 3.1Å; S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 3.14Å
395K25.4Very low24.8Very low197 Ų197141.2 Ų141.286%0.85778%0.78SS**  trans-66.195.8163.2-80.1178.9178.3174.40107.5Y393 L397Y393-K395 PolarHBondContact O-N 2.61Å; K395-L397 PolarHBondContact O-N 2.9Å
396S24.9Very low24.9Very low103 Ų103138.5 Ų138.572%0.7277%0.772SS**  trans-60.6107.2168.859.20000108.4S394 I398S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 3.14Å; S396-I398 PolarHBondContact O-N 2.64Å
397L24.5Very low24.9Very low161 Ų161137 Ų13784%0.84377%0.772SS**  trans-48.3105165.1-98.180.3000109.2K395K395-L397 PolarHBondContact O-N 2.9Å
398I25.6Very low24.8Very low153 Ų153137.2 Ų137.279%0.78577%0.768SS**  trans-101.487.4146.3-59.5178000104.5S396 S400S396-I398 PolarHBondContact O-N 2.64Å; I398-S400 PolarHBondContact O-N 3.39Å
399S23.1Very low24.7Very low95 Ų95137.8 Ų137.866%0.66477%0.766SS**  trans-65.481.8170.4175.40000108.6T401S399-T401 PolarHBondContact O-N 3.29Å
400S24.5Very low24.6Very low95 Ų95137.7 Ų137.766%0.66476%0.763SS**  trans-78.997.816462.30000107.6I398 V402I398-S400 PolarHBondContact O-N 3.39Å; S400-V402 PolarHBondContact O-N 3.11Å
401T24.4Very low24.6Very low125 Ų125136.4 Ų136.477%0.76776%0.758SS**  trans-42.2106.6167.822.40000110.9S399 S403S399-T401 PolarHBondContact O-N 3.29Å; T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 2.9Å
402V23Very low24.6Very low128 Ų128136.5 Ų136.578%0.77676%0.757SS**  trans-70.789164.3-179.90000106.4S400 N404S400-V402 PolarHBondContact O-N 3.11Å; V402-N404 PolarHBondContact O-N 3.31Å; V402-N404 VanDerWaalsContact O-N 3.13Å
403S25.4Very low24.5Very low93 Ų93133.8 Ų133.865%0.6575%0.752SS**  trans-69.8106166.948.80000107.8T401 I405T401-S403 VanDerWaalsContact C-N 3.26Å; T401-S403 PolarHBondContact O-N 2.9Å; S403-I405 PolarHBondContact O-N 3.49Å
404N24.5Very low24.7Very low154 Ų154128.9 Ų128.982%0.82475%0.748SS**  trans-44.797.3165.3-83.9-18.7000110.2V402 S406V402-N404 PolarHBondContact O-N 3.31Å; V402-N404 VanDerWaalsContact O-N 3.13Å; N404-S406 VanDerWaalsContact C-N 3.28Å; N404-S406 PolarHBondContact O-N 2.93Å; N404-S406 VanDerWaalsContact O-N 3.1Å
405I25.1Very low24.7Very low154 Ų154130.1 Ų130.179%0.7975%0.745SS**  trans-81.290.6164.2-61.6175.2000105.5S403 S407S403-I405 PolarHBondContact O-N 3.49Å; I405-S407 PolarHBondContact O-N 2.87Å
406S25.6Very low24.8Very low85 Ų85127.8 Ų127.859%0.59474%0.742SS**  trans-49.6109.3163.3175.80000108.7N404 H408N404-S406 VanDerWaalsContact C-N 3.28Å; N404-S406 PolarHBondContact O-N 2.93Å; N404-S406 VanDerWaalsContact O-N 3.1Å; S406-H408 VanDerWaalsContact C-N 3.31Å; S406-H408 PolarHBondContact O-N 3.27Å
407S26.1Very low24.8Very low103 Ų103132.9 Ų132.972%0.7275%0.751SS**  trans-71.589172.454.80000108.5I405 H409I405-S407 PolarHBondContact O-N 2.87Å; S407-H409 VanDerWaalsContact C-N 3.33Å; S407-H409 PolarHBondContact O-N 3.33Å
408H24Very low25Very low159 Ų159130.5 Ų130.574%0.73674%0.743SS**  trans-64.796.7164.8-89.2-73.6000109.1S406 T410S406-H408 VanDerWaalsContact C-N 3.31Å; S406-H408 PolarHBondContact O-N 3.27Å; H408-T410 PolarHBondContact O-N 3.42Å
409H24.5Very low25Very low181 Ų181129 Ų12984%0.83874%0.743SS**  trans-56.5104.3163.7-121.1-82.5000108S407 P411S407-H409 VanDerWaalsContact C-N 3.33Å; S407-H409 PolarHBondContact O-N 3.33Å; H409-P411 WeakPolarHBondContact O-CD 3.32Å
410T24.1Very low25.1Very low121 Ų121129.8 Ų129.874%0.74275%0.749SS**  trans-99103.8166.48.10000106.8H408 I412H408-T410 PolarHBondContact O-N 3.42Å; T410-I412 PolarHBondContact O-N 3.16Å; T410-I412 VanDerWaalsContact O-N 3.11Å
411P25.1Very low25.1Very low107 Ų107132.4 Ų132.470%0.69575%0.754SS**  trans-70.3108.8178.427.5-30.1000108.4H409 V413H409-P411 WeakPolarHBondContact O-CD 3.32Å; P411-V413 PolarHBondContact O-N 2.92Å; P411-V413 VanDerWaalsContact O-N 3.13Å
412I24.3Very low25.1Very low154 Ų154131.8 Ų131.879%0.7975%0.752SS**  trans-73.4102.8169.5-63.9174.1000106.5T410 S414T410-I412 PolarHBondContact O-N 3.16Å; T410-I412 VanDerWaalsContact O-N 3.11Å; I412-S414 PolarHBondContact O-N 3.13Å
413V22.6Very low25.3Very low119 Ų119132.9 Ų132.972%0.72175%0.752SS**  trans-67.296.4170.1178.70000107.6P411P411-V413 PolarHBondContact O-N 2.92Å; P411-V413 VanDerWaalsContact O-N 3.13Å
414S27.1Very low25.3Very low102 Ų102134 Ų13471%0.71375%0.754SS**  trans-90.497.5168.253.50000109I412 L416I412-S414 PolarHBondContact O-N 3.13Å; S414-L416 VanDerWaalsContact C-N 3.33Å; S414-L416 PolarHBondContact O-N 3.46Å
415D23.9Very low25.4Very low143 Ų143135.8 Ų135.877%0.76576%0.758SS**  trans-61.389.3166.1-84.2-37.1000110.2
416L29.3Very low25.4Very low148 Ų148133.2 Ų133.278%0.77575%0.75SS**  trans-13286.9162.2-131.987.3000109.1S414 T418S414-L416 VanDerWaalsContact C-N 3.33Å; S414-L416 PolarHBondContact O-N 3.46Å; L416-T418 PolarHBondContact O-N 3.49Å; L416-T418 PolarHBondContact O-OG1 2.77Å
417K24.7Very low25.4Very low210 Ų210135.9 Ų135.991%0.91376%0.756SS**  trans-54.799.4168.3-77.6178.4176.7175.80109.6
418T27.5Very low25.6Very low111 Ų111137.9 Ų137.968%0.68176%0.758SS**  trans-127.1128.2163-25.40000106.8L416 S420L416-T418 PolarHBondContact O-N 3.49Å; L416-T418 PolarHBondContact O-OG1 2.77Å; T418-S420 PolarHBondContact O-N 3.5Å
419P25.4Very low26.1Very low122 Ų122137.5 Ų137.579%0.79276%0.762SS**  trans-67.1121-168.4-12.627.2000110.2I421P419-I421 PolarHBondContact O-N 2.82Å
420S25.5Very low26.4Very low111 Ų111137.7 Ų137.778%0.77676%0.76SS**  trans-60.2111.4171.649.40000109.9T418T418-S420 PolarHBondContact O-N 3.5Å
421I25.4Very low26.6Very low150 Ų150139.7 Ų139.777%0.76977%0.765SS**  trans-72.2122.3160.1-61.9169.3000105.5P419 I423P419-I421 PolarHBondContact O-N 2.82Å; I421-I423 PolarHBondContact O-N 3.04Å
422P25Very low26.7Very low112 Ų112143.1 Ų143.173%0.72777%0.769SS**  trans-70.5104.1-175.428.3-31.3000108.5V424P422-V424 PolarHBondContact O-N 3.44Å
423I26.3Very low26.9Very low152 Ų152144.5 Ų144.578%0.77977%0.772SS**  trans-71.1117.1163.4-64.5173.5000105.1I421 E425I421-I423 PolarHBondContact O-N 3.04Å; I423-E425 VanDerWaalsContact C-N 3.26Å; I423-E425 PolarHBondContact O-N 3.32Å
424V25.7Very low27.1Very low115 Ų115144.2 Ų144.270%0.69778%0.775SS**  trans-62.588.5175.6168.70000107.8P422 T426P422-V424 PolarHBondContact O-N 3.44Å; V424-T426 VanDerWaalsContact C-N 3.31Å; V424-T426 HydrophobicContact CG1-CG2 4.47Å; V424-T426 WeakPolarHBondContact CG1-OG1 3.34Å; V424-T426 PolarHBondContact O-N 3.06Å
425E25.8Very low27.1Very low192 Ų192145.9 Ų145.990%0.89778%0.775SS**  trans-61.695.4159.2-84.9179.4158.400106.9I423I423-E425 VanDerWaalsContact C-N 3.26Å; I423-E425 PolarHBondContact O-N 3.32Å
426T25.2Very low27.3Very low101 Ų101144.6 Ų144.662%0.6277%0.768SS**  trans-128.8112.6163.520.50000109.3V424V424-T426 VanDerWaalsContact C-N 3.31Å; V424-T426 HydrophobicContact CG1-CG2 4.47Å; V424-T426 WeakPolarHBondContact CG1-OG1 3.34Å; V424-T426 PolarHBondContact O-N 3.06Å
427I26.3Very low27.5Very low141 Ų141145.9 Ų145.972%0.72376%0.764SS**SBendtrans8364.1152.3-41.9153.5000114.2
428D30.8Very low27.7Very low145 Ų145143.7 Ų143.778%0.77576%0.757SS**SBendtrans-114.24.2154.1-132.5-3.8000113
429D32.8Very low27.9Very low151 Ų151145.3 Ų145.381%0.80776%0.761SS**SBendtrans-93.20.3179.4-79.8-24.9000114.8
430K32.5Very low27.9Very low185 Ų185145.6 Ų145.680%0.80475%0.754SS**SBendtrans-104.33.8178.1-82.3-160.1174.9-171.30116.1
431L28.4Very low27.9Very low162 Ų162145.2 Ų145.285%0.84875%0.749SS**SBendtrans-115.218.9174-78.1167.5000114Q433L431-Q433 VanDerWaalsContact C-N 3.3Å; L431-Q433 PolarHBondContact O-N 2.59Å
432K26.3Very low27.8Very low179 Ų179145.4 Ų145.478%0.77875%0.749SS**  trans-93.460.3158.4-83.3-178.8177.51710110.3C434K432-C434 PolarHBondContact O-N 3.49Å
433Q28.6Very low27.8Very low183 Ų183146.6 Ų146.686%0.85575%0.748SS**  trans-86.994.2158.1-133.8168.914.100105.9L431 L435L431-Q433 VanDerWaalsContact C-N 3.3Å; L431-Q433 PolarHBondContact O-N 2.59Å; Q433-L435 PolarHBondContact O-N 2.85Å
434C27.3Very low27.8Very low114 Ų114145.5 Ų145.577%0.7774%0.743SS**  trans-51.9109.8173.1-64.30000109K432 N436K432-C434 PolarHBondContact O-N 3.49Å; C434-N436 VanDerWaalsContact C-N 3.33Å; C434-N436 PolarHBondContact O-N 3.09Å
435L26.5Very low28Very low136 Ų136147.5 Ų147.571%0.71275%0.745SS**  trans-64.7102157.7-81158.8000106Q433 Y437Q433-L435 PolarHBondContact O-N 2.85Å; L435-Y437 HydrophobicContact CB-CD2 4.38Å; L435-Y437 HydrophobicContact CB-CE2 3.91Å; L435-Y437 WeakPolarHBondContact O-CD2 3.37Å; L435-Y437 PolarHBondContact O-N 3.33Å
436N28.2Very low28Very low116 Ų116145.6 Ų145.662%0.6274%0.741SS**  trans-73105.2175.1-165.317000107.5C434 E438C434-N436 VanDerWaalsContact C-N 3.33Å; C434-N436 PolarHBondContact O-N 3.09Å; N436-E438 PolarHBondContact O-N 3.22Å
437Y32.5Very low28.1Very low176 Ų176146.7 Ų146.769%0.6975%0.747SS**G310 helixtrans-80.215.1-174.6-80.3-84.6000113.8L435 I440L435-Y437 HydrophobicContact CB-CD2 4.38Å; L435-Y437 HydrophobicContact CB-CE2 3.91Å; L435-Y437 WeakPolarHBondContact O-CD2 3.37Å; L435-Y437 PolarHBondContact O-N 3.33Å; Y437-I440 HydrophobicContact CD1-CD1 4.28Å
438E30.3Very low28Very low164 Ų164146.3 Ų146.377%0.76675%0.752SS**G310 helixtrans-84.5-5.3-178.8-73.8-172.4162.700114.8N436N436-E438 PolarHBondContact O-N 3.22Å
439D30.4Very low27.8Very low145 Ų145143.9 Ų143.978%0.77575%0.746SS**G310 helixtrans-107.120.8-178.1-72.6-34.1000115.1P441D439-P441 WeakPolarHBondContact O-CD 3.27Å
440I26.8Very low27.3Very low127 Ų127145 Ų14565%0.65175%0.747SS**SBendtrans-98.8104.8169.1-54.8177.8000108.1Y437 M442Y437-I440 HydrophobicContact CD1-CD1 4.28Å; I440-M442 PolarHBondContact O-N 2.78Å; I440-M442 VanDerWaalsContact O-N 3.1Å
441P25.3Very low27Very low103 Ų103142.7 Ų142.767%0.66974%0.742SS**  trans-65.8115.3178.126.4-31.2000109D439 I443D439-P441 WeakPolarHBondContact O-CD 3.27Å; P441-I443 PolarHBondContact O-N 3.4Å; P441-I443 VanDerWaalsContact O-N 3.14Å
442M23.2Very low26.9Very low154 Ų154143.9 Ų143.976%0.75974%0.74SS**  trans-68.3102.3173.8-160.8177.176.800107.7I440 D444I440-M442 PolarHBondContact O-N 2.78Å; I440-M442 VanDerWaalsContact O-N 3.1Å; M442-D444 PolarHBondContact O-N 3.21Å
443I25.4Very low26.8Very low138 Ų138142.7 Ų142.771%0.70874%0.737SS**  trans-86.199.1172.9-58.4174.2000106.4P441 E445P441-I443 PolarHBondContact O-N 3.4Å; P441-I443 VanDerWaalsContact O-N 3.14Å; I443-E445 HydrophobicContact CG2-CG 4.08Å; I443-E445 PolarHBondContact O-N 3.07Å; I443-E445 VanDerWaalsContact O-N 3.15Å
444D25.6Very low26.6Very low128 Ų128140.6 Ų140.668%0.68474%0.737SS**  trans-71.993.8167.6-82.7-31.7000108.4M442M442-D444 PolarHBondContact O-N 3.21Å
445E29Very low26.5Very low158 Ų158139.9 Ų139.974%0.73873%0.73SS**  trans-88.9100.9166-88.9-176.917700109.3I443 V447I443-E445 HydrophobicContact CG2-CG 4.08Å; I443-E445 PolarHBondContact O-N 3.07Å; I443-E445 VanDerWaalsContact O-N 3.15Å; E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 2.9Å
446D25.9Very low26.3Very low152 Ų152140.1 Ų140.181%0.81374%0.737SS**  trans-63.987.7167.4-84.3-36.1000109.9T448D446-T448 VanDerWaalsContact C-N 3.34Å; D446-T448 PolarHBondContact O-N 3.18Å; D446-T448 PolarHBondContact O-OG1 2.78Å
447V28.2Very low26.2Very low123 Ų123142.6 Ų142.675%0.74574%0.744SS**  trans-7191172.8-178.30000109.3E445 S449E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 2.9Å; V447-S449 PolarHBondContact O-N 3.15Å
448T23.3Very low25.9Very low134 Ų134139.6 Ų139.682%0.82275%0.746SS**  trans-73.3108.11675.90000108.4D446 E450D446-T448 VanDerWaalsContact C-N 3.34Å; D446-T448 PolarHBondContact O-N 3.18Å; D446-T448 PolarHBondContact O-OG1 2.78Å; T448-E450 PolarHBondContact O-N 3.02Å
449S26.6Very low25.6Very low94 Ų94144 Ų14466%0.65776%0.756SS**  trans-82.8103.7-18032.80000110.3V447 I451V447-S449 PolarHBondContact O-N 3.15Å; S449-I451 VanDerWaalsContact C-N 3.33Å; S449-I451 PolarHBondContact O-N 3.26Å
450E23.5Very low25.3Very low174 Ų174142.4 Ų142.481%0.81376%0.757SS**  trans-67.490.7164.8-80.8-168.1162.400109.9T448 K452T448-E450 PolarHBondContact O-N 3.02Å; E450-K452 PolarHBondContact O-N 3.22Å
451I26.7Very low25.1Very low137 Ų137144 Ų14470%0.70377%0.766SS**  trans-72.296.4166.1-59.3173000107.1S449 Q453S449-I451 VanDerWaalsContact C-N 3.33Å; S449-I451 PolarHBondContact O-N 3.26Å; I451-Q453 HydrophobicContact CG2-CB 4.1Å; I451-Q453 PolarHBondContact O-N 2.93Å
452K25Very low25.1Very low186 Ų186144.6 Ų144.681%0.80977%0.772SS**  trans-67.977.4162.7-80-178178.8174.20109.1E450 T454E450-K452 PolarHBondContact O-N 3.22Å; K452-T454 PolarHBondContact O-N 3.09Å; K452-T454 VanDerWaalsContact O-N 3.16Å
453Q25.6Very low25.2Very low155 Ų155144.3 Ų144.372%0.72477%0.772SS**  trans-73.6101.9172.3-149.116823.900107.8I451 T455I451-Q453 HydrophobicContact CG2-CB 4.1Å; I451-Q453 PolarHBondContact O-N 2.93Å; Q453-T455 PolarHBondContact O-N 2.8Å; Q453-T455 PolarHBondContact O-OG1 3.12Å
454T23.5Very low25.1Very low139 Ų139146.9 Ų146.985%0.85378%0.778SS**  trans-75.180.1168.36.50000107.4K452 T456K452-T454 PolarHBondContact O-N 3.09Å; K452-T454 VanDerWaalsContact O-N 3.16Å; T454-T456 PolarHBondContact O-N 2.95Å
455T24.2Very low25.2Very low99 Ų99150.1 Ų150.161%0.60779%0.786SS**  trans-69.498.5177.3-47.20000108.9Q453 E457Q453-T455 PolarHBondContact O-N 2.8Å; Q453-T455 PolarHBondContact O-OG1 3.12Å; T455-E457 HydrophobicContact CG2-CG 4.1Å; T455-E457 PolarHBondContact O-N 2.94Å
456T24.1Very low25.1Very low140 Ų140149.6 Ų149.686%0.85979%0.789SS**  trans-80.193.1158.813.70000106.5T454 P458T454-T456 PolarHBondContact O-N 2.95Å; T456-P458 WeakPolarHBondContact O-CD 3Å
457E25.8Very low25.2Very low168 Ų168149.2 Ų149.279%0.78579%0.786SS**  trans-56.4124175.9-79.3-169.1148.400110.7T455 R459T455-E457 HydrophobicContact CG2-CG 4.1Å; T455-E457 PolarHBondContact O-N 2.94Å; E457-R459 PolarHBondContact O-N 2.86Å
458P25.3Very low25.2Very low113 Ų113150 Ų15073%0.73479%0.787SS**  trans-74.4114.5167.129-27.8000108.1T456 S460T456-P458 WeakPolarHBondContact O-CD 3Å; P458-S460 PolarHBondContact O-N 3.36Å
459R23.3Very low25.3Very low256 Ų256149.9 Ų149.997%0.96679%0.785SS**  trans-49.199.2166.3-94.1179.1169.9164.8-2.9109.4E457E457-R459 PolarHBondContact O-N 2.86Å
460S25.4Very low25.2Very low113 Ų113152.5 Ų152.579%0.7979%0.791SS**  trans-92.6119169.145.10000108.4P458 S462P458-S460 PolarHBondContact O-N 3.36Å; S460-S462 PolarHBondContact O-N 2.8Å
461L23.3Very low25.2Very low161 Ų161151 Ų15184%0.84379%0.787SS**  trans-57.2118.7178.1-129.684.6000109.6I463L461-I463 PolarHBondContact O-N 3.26Å; L461-I463 VanDerWaalsContact O-N 3.11Å
462S23.9Very low25Very low114 Ų114149.5 Ų149.580%0.79779%0.785SS**  trans-74.397174.850.30000110.3S460 K464S460-S462 PolarHBondContact O-N 2.8Å; S462-K464 PolarHBondContact O-N 3.32Å
463I25.3Very low24.8Very low149 Ų149147.1 Ų147.176%0.76478%0.779SS**  trans-8297.7165-60175.7000106.6L461 K465L461-I463 PolarHBondContact O-N 3.26Å; L461-I463 VanDerWaalsContact O-N 3.11Å; I463-K465 PolarHBondContact O-N 3.46Å
464K23.8Very low24.7Very low191 Ų191144.8 Ų144.883%0.8378%0.776SS**  trans-55.4118.5163.7-78.4-177.3174.2-177.20108.1S462S462-K464 PolarHBondContact O-N 3.32Å
465K27.4Very low24.7Very low196 Ų196144 Ų14485%0.85277%0.771SS**  trans-134.4121161.8-152.6174-175.2179.30108.4I463I463-K465 PolarHBondContact O-N 3.46Å
466D27.4Very low24.6Very low148 Ų148145.1 Ų145.179%0.79178%0.778SS**  trans-60.9161.8-166.4-61-54.8000114.5
467D28Very low24.5Very low144 Ų144143.4 Ų143.477%0.7777%0.772SS**SBendtrans-44.6152.4-175.7-62.7-48.9000116.8
468N27Very low24.6Very low140 Ų140141.4 Ų141.475%0.74977%0.773SS**  trans68.978.6154.8-67.2-16.1000117.6
469T26.6Very low24.6Very low130 Ų130142 Ų14280%0.79877%0.774SS**  trans-145.482.7138.7-7.50000109.9L471T469-L471 VanDerWaalsContact C-N 3.28Å; T469-L471 PolarHBondContact O-N 3.45Å
470I23.9Very low24.8Very low149 Ų149135.6 Ų135.676%0.76476%0.764SS**  trans-66.992.9164.4-61.4172.8000106.5T472I470-T472 PolarHBondContact O-N 2.98Å
471L22.9Very low24.8Very low142 Ų142136 Ų13674%0.74376%0.764SS**  trans-83.788.5165.9-105.8146000107.3T469 I473T469-L471 VanDerWaalsContact C-N 3.28Å; T469-L471 PolarHBondContact O-N 3.45Å; L471-I473 VanDerWaalsContact C-N 3.35Å; L471-I473 PolarHBondContact O-N 3.46Å
472T22.9Very low24.9Very low107 Ų107133.2 Ų133.266%0.65676%0.758SS**  trans-62.994.5167.2-50.60000108.4I470 T474I470-T472 PolarHBondContact O-N 2.98Å; T472-T474 VanDerWaalsContact C-N 3.34Å; T472-T474 PolarHBondContact O-N 2.96Å; T472-T474 VanDerWaalsContact O-N 3.15Å
473I21.8Very low24.9Very low135 Ų135134.1 Ų134.169%0.69276%0.759SS**  trans-81.490.7166.8-57.4178.1000106.7L471 T475L471-I473 VanDerWaalsContact C-N 3.35Å; L471-I473 PolarHBondContact O-N 3.46Å; I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 HydrophobicContact CG2-CG2 4.13Å; I473-T475 PolarHBondContact O-N 3.35Å
474T22.6Very low24.8Very low107 Ų107133.6 Ų133.666%0.65676%0.756SS**  trans-69.292.1164.1-47.30000107.8T472 V476T472-T474 VanDerWaalsContact C-N 3.34Å; T472-T474 PolarHBondContact O-N 2.96Å; T472-T474 VanDerWaalsContact O-N 3.15Å; T474-V476 VanDerWaalsContact C-N 3.33Å; T474-V476 HydrophobicContact CG2-CG2 4.37Å; T474-V476 PolarHBondContact O-N 2.82Å
475T23.4Very low24.9Very low122 Ų122129.1 Ų129.175%0.74875%0.747SS**  trans-72.194.6165.835.50000108.5I473 S477I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 HydrophobicContact CG2-CG2 4.13Å; I473-T475 PolarHBondContact O-N 3.35Å; T475-S477 PolarHBondContact O-N 2.89Å
476V23Very low24.7Very low123 Ų123127 Ų12775%0.74574%0.743SS**  trans-65.4113.4166.8-158.30000106.9T474 P478T474-V476 VanDerWaalsContact C-N 3.33Å; T474-V476 HydrophobicContact CG2-CG2 4.37Å; T474-V476 PolarHBondContact O-N 2.82Å; V476-P478 WeakPolarHBondContact O-CD 3.27Å
477S22.6Very low24.6Very low104 Ų104125.7 Ų125.773%0.72774%0.74SS**  trans-54.9118.3173.8-520000109.3T475 T479T475-S477 PolarHBondContact O-N 2.89Å; S477-T479 PolarHBondContact O-N 3.26Å
478P26.7Very low24.4Very low126 Ų126124.7 Ų124.782%0.81874%0.74SS**  trans-69.4110.2172.126.7-28.6000108V476 T480V476-P478 WeakPolarHBondContact O-CD 3.27Å; P478-T480 PolarHBondContact O-N 3.1Å
479T26.4Very low24.3Very low124 Ų124124.8 Ų124.876%0.76174%0.739SS**  trans-36.3125.5159.639.70000112.1S477S477-T479 PolarHBondContact O-N 3.26Å
480T26.4Very low24.2Very low123 Ų123125.8 Ų125.876%0.75574%0.739SS**  trans51.2110.8150.337.80000117.7P478 S482P478-T480 PolarHBondContact O-N 3.1Å; T480-S482 PolarHBondContact O-N 3.25Å; T480-S482 VanDerWaalsContact O-N 3.13Å
481P25.2Very low24.2Very low122 Ų122124 Ų12479%0.79274%0.739SS**  trans-68.3115.8169.828.6-29.7000108.7T483P481-T483 PolarHBondContact O-N 3.04Å
482S25.3Very low24.5Very low101 Ų101122.8 Ų122.871%0.70674%0.738SS**  trans-55.6108.3165.157.10000108.4T480 I484T480-S482 PolarHBondContact O-N 3.25Å; T480-S482 VanDerWaalsContact O-N 3.13Å; S482-I484 PolarHBondContact O-N 2.93Å
483T24.2Very low24.6Very low133 Ų133123.1 Ų123.182%0.81674%0.742SS**  trans-60.399.2168.5-49.50000107.9P481 P485P481-T483 PolarHBondContact O-N 3.04Å; T483-P485 WeakPolarHBondContact O-CD 3.21Å
484I24.6Very low24.8Very low139 Ų139124.2 Ų124.271%0.71375%0.749SS**  trans-75.4113.7163.9-60.4172000104.9S482 I486S482-I484 PolarHBondContact O-N 2.93Å; I484-I486 PolarHBondContact O-N 2.96Å; I484-I486 VanDerWaalsContact O-N 3.07Å
485P24.3Very low25Very low97 Ų97124.8 Ų124.863%0.6375%0.751SS**  trans-69112.2-179.828-30.2000107.8T483 T487T483-P485 WeakPolarHBondContact O-CD 3.21Å; P485-T487 PolarHBondContact O-N 2.82Å
486I23.9Very low25.1Very low152 Ų152124.8 Ų124.878%0.77975%0.751SS**  trans-72.790.5163.3-60.2173.9000105.4I484 T488I484-I486 PolarHBondContact O-N 2.96Å; I484-I486 VanDerWaalsContact O-N 3.07Å; I486-T488 VanDerWaalsContact C-N 3.29Å; I486-T488 PolarHBondContact O-N 2.92Å
487T24.3Very low25.2Very low119 Ų119124.2 Ų124.273%0.7375%0.748SS**  trans-65.993.6163.89.80000107.3P485 I489P485-T487 PolarHBondContact O-N 2.82Å; T487-I489 VanDerWaalsContact C-N 3.29Å; T487-I489 PolarHBondContact O-N 2.85Å
488T25.1Very low25.3Very low124 Ų124124.8 Ų124.876%0.76175%0.752SS**  trans-64.297.7161.3-43.40000106.4I486 L490I486-T488 VanDerWaalsContact C-N 3.29Å; I486-T488 PolarHBondContact O-N 2.92Å; T488-L490 VanDerWaalsContact C-N 3.33Å; T488-L490 PolarHBondContact O-N 3.4Å
489I24.3Very low25.3Very low141 Ų141124.1 Ų124.172%0.72375%0.751SS**  trans-62.9101.6171.9-60.3171.5000105.7T487 S491T487-I489 VanDerWaalsContact C-N 3.29Å; T487-I489 PolarHBondContact O-N 2.85Å; I489-S491 VanDerWaalsContact C-N 3.32Å; I489-S491 PolarHBondContact O-N 3.03Å
490L24.7Very low25.2Very low151 Ų151124.4 Ų124.479%0.79175%0.752SS**  trans-65.297.5166.7-161.382.9000105.8T488 T492T488-L490 VanDerWaalsContact C-N 3.33Å; T488-L490 PolarHBondContact O-N 3.4Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.65Å
491S24Very low25.3Very low112 Ų112124.7 Ų124.778%0.78376%0.759SS**  trans-59.796.4175.3-56.30000108.9I489I489-S491 VanDerWaalsContact C-N 3.32Å; I489-S491 PolarHBondContact O-N 3.03Å
492T28.4Very low25.5Very low116 Ų116122.3 Ų122.371%0.71276%0.757SS**  trans-68145164.840.20000108.8L490 L494L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.65Å; T492-L494 PolarHBondContact O-N 3.39Å
493P26Very low25.6Very low114 Ų114127.5 Ų127.574%0.7477%0.767SS**  trans-62.8136.7-166.724.4-33000111.4V495P493-V495 PolarHBondContact O-N 3.03Å
494L25.6Very low25.9Very low159 Ų159126.5 Ų126.583%0.83277%0.766SS**  trans-53.394.1179.1-168.780.4000110.7T492 V496T492-L494 PolarHBondContact O-N 3.39Å; L494-V496 HydrophobicContact CD2-CG2 4.02Å; L494-V496 HydrophobicContact CG-CG2 4.19Å; L494-V496 PolarHBondContact O-N 3.35Å
495V26.4Very low26.1Very low118 Ų118127.1 Ų127.172%0.71577%0.77SS**  trans-77.7101.5164.9174.90000106.6P493 T497P493-V495 PolarHBondContact O-N 3.03Å; V495-T497 HydrophobicContact CG1-CG2 4.14Å; V495-T497 PolarHBondContact O-N 2.83Å
496V25.3Very low26.4Very low122 Ų122129.8 Ų129.874%0.73978%0.779SS**  trans-69.591.2173.9179.20000108.1L494L494-V496 HydrophobicContact CD2-CG2 4.02Å; L494-V496 HydrophobicContact CG-CG2 4.19Å; L494-V496 PolarHBondContact O-N 3.35Å
497T26.4Very low26.5Very low111 Ų111130.7 Ų130.768%0.68178%0.78SS**  trans-95.8103.9163.338.30000109V495 S499V495-T497 HydrophobicContact CG1-CG2 4.14Å; V495-T497 PolarHBondContact O-N 2.83Å; T497-S499 PolarHBondContact O-N 3.03Å
498S24.1Very low26.7Very low116 Ų116131.7 Ų131.781%0.81178%0.78SS**  trans-52.2102.9165.9380000110.3
499S27.3Very low26.7Very low113 Ų113136.2 Ų136.279%0.7978%0.783SS**  trans-115.5105.4167.435.50000108.4T497T497-S499 PolarHBondContact O-N 3.03Å
500T24.1Very low26.9Very low129 Ų129135.5 Ų135.579%0.79179%0.785SS**  trans-72.6159.117433.60000111.4
501S28.3Very low27Very low129 Ų129137.9 Ų137.990%0.90279%0.789SS**  trans93.3127.2164.790.30000116.6
502G29.8Very low27Very low73 Ų73141.4 Ų141.475%0.75380%0.795SS**  trans143.372.9161.700000115.2S504G502-S504 PolarHBondContact O-N 3.45Å
503K27.1Very low26.8Very low209 Ų209144.3 Ų144.391%0.90980%0.801SS**  trans-28.4126.7167.6-78.4166.7168.9171.90114.9
504S30.5Very low26.8Very low113 Ų113148.3 Ų148.379%0.7981%0.806SS**  trans-149.9130.9138.358.50000110.1G502 N506G502-S504 PolarHBondContact O-N 3.45Å; S504-N506 PolarHBondContact O-N 3.32Å
505N28.6Very low26.7Very low152 Ų152148.4 Ų148.481%0.81381%0.806SS**  trans-76117.3-174-61.8-36000109.6
506N31.1Very low26.6Very low152 Ų152148.5 Ų148.581%0.81381%0.807SS**  trans-136.899.4156.1-86.7-27.5000108S504 I508S504-N506 PolarHBondContact O-N 3.32Å; N506-I508 PolarHBondContact O-N 2.78Å; N506-I508 VanDerWaalsContact O-N 3.13Å
507E25.6Very low26.5Very low171 Ų171153.6 Ų153.680%0.79981%0.813SS**  trans-70.893.4-178.1-168.9-177.5176.800109.6
508I29.1Very low26.4Very low141 Ų141156.9 Ų156.972%0.72382%0.82SS**  trans-105.3103.4165.8-60.6178.7000107.1N506 T510N506-I508 PolarHBondContact O-N 2.78Å; N506-I508 VanDerWaalsContact O-N 3.13Å; I508-T510 PolarHBondContact O-N 2.87Å
509R25.1Very low26.4Very low218 Ų218159.8 Ų159.882%0.82382%0.821SS**  trans-59.192.7174.5-76178.5172.5-171.4-3.7110.4
510T28Very low26.2Very low126 Ų126161 Ų16177%0.77382%0.824SS**  trans-82.2114.6165.942.20000108.9I508 M512I508-T510 PolarHBondContact O-N 2.87Å; T510-M512 PolarHBondContact O-N 3.31Å
511K26.9Very low26.2Very low201 Ų201162.2 Ų162.287%0.87482%0.824SS**  trans-62.6117.3173.2-75.1-179.6176.4178.30108.5H513K511-H513 PolarHBondContact O-N 2.97Å
512M24.6Very low26Very low187 Ų187161 Ų16192%0.92182%0.816SS**  trans-48.6117.2172-91.2178.8153.100110.6T510T510-M512 PolarHBondContact O-N 3.31Å
513H24.3Very low25.7Very low177 Ų177162.4 Ų162.482%0.81981%0.814SS**  trans-104.2124.5148.1-86.724.2000107.2K511 I515K511-H513 PolarHBondContact O-N 2.97Å; H513-I515 PolarHBondContact O-N 2.91Å
514K24.7Very low25.7Very low197 Ų197160.7 Ų160.786%0.85781%0.809SS**  trans-62.4100.3-173.9-173.2179-179-176.70108.7T516K514-T516 PolarHBondContact O-N 3.3Å
515I24.7Very low25.4Very low161 Ų161161.6 Ų161.683%0.82681%0.81SS**  trans-74.7104.2170.8-62.5171.4000106.7H513 R517H513-I515 PolarHBondContact O-N 2.91Å; I515-R517 PolarHBondContact O-N 3.4Å
516T24.2Very low25.2Very low121 Ų121162 Ų16274%0.74281%0.807SS**  trans-72.1113.8167.8-24.20000107.3K514K514-T516 PolarHBondContact O-N 3.3Å
517R22.2Very low24.9Very low228 Ų228160.5 Ų160.586%0.8680%0.804SS**  trans-84.4115.9180-171.4-177.7-168.1159.41.7107.5I515I515-R517 PolarHBondContact O-N 3.4Å
518E24Very low24.7Very low180 Ų180158.8 Ų158.884%0.84180%0.798SS**  trans-121.4143.6160.4-79.6-174.5177.600109.4
519E24.6Very low24.5Very low178 Ų178157 Ų15783%0.83279%0.794SS**  trans-80.3131-140.3-63.8173.7145.800113.1I521E519-I521 PolarHBondContact O-N 2.91Å
520T23.4Very low24.4Very low137 Ų137152.1 Ų152.184%0.8479%0.789SS**  trans-66.699.3166.5-42.60000108.6S522T520-S522 VanDerWaalsContact C-N 3.34Å; T520-S522 PolarHBondContact O-N 3.14Å
521I23.7Very low24.2Very low156 Ų156151.1 Ų151.180%0.878%0.783SS**  trans-70.598.8164.4-59.4175000106.5E519 S523E519-I521 PolarHBondContact O-N 2.91Å; I521-S523 VanDerWaalsContact C-N 3.35Å; I521-S523 PolarHBondContact O-N 2.77Å
522S24.3Very low24Very low103 Ų103148 Ų14872%0.7278%0.78SS**  trans-67.389.6170.2166.50000109.2T520 Q524T520-S522 VanDerWaalsContact C-N 3.34Å; T520-S522 PolarHBondContact O-N 3.14Å; S522-Q524 PolarHBondContact O-N 3.13Å
523S24.2Very low24.1Very low102 Ų102145.5 Ų145.571%0.71377%0.771SS**  trans-73.1106.8164.252.40000108.8I521 T525I521-S523 VanDerWaalsContact C-N 3.35Å; I521-S523 PolarHBondContact O-N 2.77Å; S523-T525 PolarHBondContact O-N 2.9Å; S523-T525 VanDerWaalsContact O-N 3.14Å
524Q25.4Very low24.1Very low173 Ų173141.9 Ų141.981%0.80877%0.766SS**  trans-49115.8167.1-83.7172.7-32.500109.7S522 E526S522-Q524 PolarHBondContact O-N 3.13Å; Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.96Å
525T25Very low24.2Very low132 Ų132139.9 Ų139.981%0.8176%0.763SS**  trans-67.690.816133.20000108.5S523 T527S523-T525 PolarHBondContact O-N 2.9Å; S523-T525 VanDerWaalsContact O-N 3.14Å; T525-T527 PolarHBondContact O-N 2.99Å; T525-T527 VanDerWaalsContact O-N 3.13Å
526E24.5Very low24.2Very low161 Ų161139.1 Ų139.175%0.75276%0.76SS**  trans-63.5109.7159.8-85.9-171.315300108.1Q524 I528Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.96Å; E526-I528 VanDerWaalsContact C-N 3.29Å; E526-I528 PolarHBondContact O-N 3.03Å
527T24.2Very low24.3Very low121 Ų121144 Ų14474%0.74277%0.765SS**  trans-72.188.9171.1-53.90000107.6T525 T529T525-T527 PolarHBondContact O-N 2.99Å; T525-T527 VanDerWaalsContact O-N 3.13Å; T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 3.02Å
528I22.4Very low24.4Very low134 Ų134140.6 Ų140.669%0.68776%0.763SS**  trans-70.293.5170.8-57.5176.6000107.1E526 T530E526-I528 VanDerWaalsContact C-N 3.29Å; E526-I528 PolarHBondContact O-N 3.03Å; I528-T530 PolarHBondContact O-N 2.97Å; I528-T530 VanDerWaalsContact O-N 3.1Å
529T23.5Very low24.5Very low104 Ų104139.5 Ų139.564%0.63876%0.761SS**  trans-7693.1169.6-51.60000107T527 T531T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 3.02Å; T529-T531 VanDerWaalsContact C-N 3.28Å; T529-T531 PolarHBondContact O-N 3.42Å
530T23.7Very low24.6Very low116 Ų116135.1 Ų135.171%0.71276%0.755SS**  trans-73.786.2173.6-49.20000108.8I528 T532I528-T530 PolarHBondContact O-N 2.97Å; I528-T530 VanDerWaalsContact O-N 3.1Å; T530-T532 PolarHBondContact O-N 3Å; T530-T532 VanDerWaalsContact O-N 3.15Å
531T23.6Very low24.8Very low105 Ų105138.3 Ų138.364%0.64476%0.757SS**  trans-67.1105.8165.113.90000108.3T529 N533T529-T531 VanDerWaalsContact C-N 3.28Å; T529-T531 PolarHBondContact O-N 3.42Å; T531-N533 VanDerWaalsContact C-N 3.28Å; T531-N533 PolarHBondContact O-N 3.16Å
532T23.7Very low25Very low134 Ų134137.6 Ų137.682%0.82276%0.755SS**  trans-63.591.716640.80000108.6T530 S534T530-T532 PolarHBondContact O-N 3Å; T530-T532 VanDerWaalsContact O-N 3.15Å; T532-S534 PolarHBondContact O-N 3.24Å
533N25.3Very low25.2Very low135 Ų135138.3 Ų138.372%0.72276%0.757SS**  trans-62.1110.3166.4-74.8-29.7000107.3T531 I535T531-N533 VanDerWaalsContact C-N 3.28Å; T531-N533 PolarHBondContact O-N 3.16Å; N533-I535 PolarHBondContact O-N 3.08Å
534S25.6Very low25.3Very low101 Ų101139.5 Ų139.571%0.70676%0.76SS**  trans-50.4105.6167510000108T532 N536T532-S534 PolarHBondContact O-N 3.24Å; S534-N536 VanDerWaalsContact C-N 3.35Å; S534-N536 PolarHBondContact O-N 3.05Å
535I25.4Very low25.4Very low155 Ų155136.9 Ų136.980%0.79576%0.756SS**  trans-63.8102.8172.7-63.3172.5000105.4N533 R537N533-I535 PolarHBondContact O-N 3.08Å; I535-R537 PolarHBondContact O-N 3.34Å
536N25.3Very low25.5Very low146 Ų146136 Ų13678%0.78175%0.75SS**  trans-56.792.5166-78.9-25.5000107.1S534 I538S534-N536 VanDerWaalsContact C-N 3.35Å; S534-N536 PolarHBondContact O-N 3.05Å; N536-I538 PolarHBondContact O-N 3.14Å; N536-I538 VanDerWaalsContact O-N 3.07Å
537R26Very low25.7Very low223 Ų223134.7 Ų134.784%0.84275%0.747SS**  trans-70.8108.1178.1-163.3180-151.9179.26.9107I535 I539I535-R537 PolarHBondContact O-N 3.34Å; R537-I539 PolarHBondContact O-N 3.11Å
538I25.1Very low25.7Very low157 Ų157136.1 Ų136.181%0.80575%0.75SS**  trans-48.9111.9167.2-64.9168.3000107.2N536 A540N536-I538 PolarHBondContact O-N 3.14Å; N536-I538 VanDerWaalsContact O-N 3.07Å; I538-A540 PolarHBondContact O-N 3.27Å
539I25.8Very low26Very low157 Ų157135.2 Ų135.281%0.80575%0.751SS**  trans-70.985.6176.9-59.7172.5000106.4R537 K541R537-I539 PolarHBondContact O-N 3.11Å; I539-K541 PolarHBondContact O-N 3.4Å
540A25.8Very low26Very low86 Ų86140.3 Ų140.371%0.71176%0.764SS**  trans-70.8123.4164.200000107.8I538I538-A540 PolarHBondContact O-N 3.27Å
541K28.8Very low26.4Very low203 Ų203141.2 Ų141.288%0.88377%0.77SS**  trans-40.5132.4-173.7-75.1171.4174173.90113.2I539I539-K541 PolarHBondContact O-N 3.4Å
542N28.2Very low26.6Very low141 Ų141146 Ų14675%0.75478%0.782SS**  trans-37.6130.3172.4-66.8-38.1000112.8T544N542-T544 PolarHBondContact O-N 3.36Å
543P27.8Very low26.6Very low119 Ų119151.5 Ų151.577%0.77379%0.787SS**  trans-70.2112.2161.528.6-28.3000108V545P543-V545 PolarHBondContact O-N 2.8Å
544T26.4Very low26.8Very low126 Ų126150.6 Ų150.677%0.77379%0.791SS**  trans-54.2104.8171.7-52.50000109.7N542N542-T544 PolarHBondContact O-N 3.36Å
545V28.4Very low26.8Very low118 Ų118155.4 Ų155.472%0.71580%0.8SS**  trans-93.5102.6162.9178.20000106.5P543 I547P543-V545 PolarHBondContact O-N 2.8Å; V545-I547 HydrophobicContact CG1-CG1 4.26Å; V545-I547 PolarHBondContact O-N 3.11Å
546T26.2Very low26.8Very low113 Ų113154.1 Ų154.169%0.69380%0.803SS**  trans-63108.6175.3-41.40000109
547I27.9Very low26.9Very low134 Ų134152.2 Ų152.269%0.68780%0.801SS**  trans-118102163.4-58.9178.8000105.9V545 T549V545-I547 HydrophobicContact CG1-CG1 4.26Å; V545-I547 PolarHBondContact O-N 3.11Å; I547-T549 PolarHBondContact O-N 2.78Å
548D25.4Very low26.8Very low152 Ų152149.2 Ų149.281%0.81380%0.802SS**  trans-58.6102.4172.1-98.8-40.3000109.7
549T27.8Very low26.9Very low115 Ų115144.7 Ų144.771%0.70679%0.794SS**  trans-139.3101.9158.638.50000108.4I547 V551I547-T549 PolarHBondContact O-N 2.78Å; T549-V551 PolarHBondContact O-N 2.83Å
550K24.6Very low26.9Very low210 Ų210143 Ų14391%0.91379%0.79SS**  trans-56.3101.4169.5-74178176.2175.40109.6
551V31Very low27.1Very low135 Ų135146.9 Ų146.982%0.81880%0.799SS**  trans-139.3126.2158.2-174.40000109.3T549T549-V551 PolarHBondContact O-N 2.83Å
552K27.6Very low27Very low207 Ų207143.7 Ų143.790%0.979%0.792SS**  trans-54.9130.3-172.6-76.8172.1171176.20113
553R23.8Very low27.2Very low249 Ų249144.5 Ų144.594%0.9480%0.795SS**  trans-84134163.6-98.1178.6174.5168.1-2.3111
554S29.3Very low27.1Very low115 Ų115144.8 Ų144.880%0.80480%0.795SS**  trans-141.896.2148.459.10000107
555K25.5Very low27.3Very low203 Ų203147 Ų14788%0.88380%0.797SS**  69.29892.8-78.8-165.9178.7-175.60114.9
556C26.5Very low27.1Very low128 Ų128149.9 Ų149.987%0.86580%0.802SS**  trans179.2100.9130-103.20000106.5
557S26.8Very low27Very low106 Ų106152.8 Ų152.874%0.74181%0.805SS**  58.9132.873.3179.20000112.3
558D24.9Very low27Very low160 Ų160155 Ų15586%0.85681%0.813SS**  cis170.7151.6-27.5-110.7-24.3000104.1
559G26.7Very low26.9Very low62 Ų62155.5 Ų155.564%0.63982%0.816SS**  trans100.997.4158.800000114.5
560V26Very low26.9Very low121 Ų121159.6 Ų159.673%0.73382%0.824SS**  62.5116.563.2-173.90000111.9
561N30.5Very low26.8Very low167 Ų167155.3 Ų155.389%0.89382%0.815SS**  trans-158121.3133.6-92.7-21000111.2
562D26.6Very low26.7Very low136 Ų136155.3 Ų155.373%0.72781%0.81SS**  trans-55.5148.2164.4-77.3-50.5000112.4
563L31.4Very low26.6Very low158 Ų158152.2 Ų152.283%0.82780%0.804SS**  trans-151.4105.5140-153.169.6000112
564T25Very low26.6Very low126 Ų126147.9 Ų147.977%0.77380%0.798SS**  trans-78.6123.3163.622.90000110.6
565Q31.4Very low26.5Very low173 Ų173147.3 Ų147.381%0.80879%0.794SS**  trans-154.696.9150.4-66.1-164.47.700107.5
566Q24.3Very low26.5Very low178 Ų178143 Ų14383%0.83279%0.789SS**  52.3111.286.3-112.5-167.137.200116.5
567K23.5Very low26.6Very low173 Ų173145.4 Ų145.475%0.75279%0.787SS**  trans70.6112.6131.7-120.1178.7-176.9178.60117.8
568Q27.4Very low26.4Very low180 Ų180146.1 Ų146.184%0.84179%0.792SS**  174.9141.395.7-99.8179-6.800113
569N23.8Very low26.6Very low164 Ų164144.2 Ų144.288%0.87779%0.792SS**  trans-63.5144.3172.4-64-37.5000112.5
570K28.8Very low26.4Very low201 Ų201147.3 Ų147.387%0.87480%0.798SS**  trans-151.5110.1144-136.1171.8-175.9176.50111
571T22.4Very low26.5Very low119 Ų119149.2 Ų149.273%0.7380%0.803SS**  trans-49.3146.9157.529.60000112.1
572N27.6Very low26.9Very low135 Ų135146.3 Ų146.372%0.72279%0.793SS**  -177.5135.2126.3-88.5-8000113.6
573N27.3Very low26.8Very low143 Ų143147.2 Ų147.277%0.76580%0.796SS**  trans77.296.1139.6-61.9-4.8000121.5
574I22.2Very low26.5Very low158 Ų158148.7 Ų148.781%0.8180%0.799SS**  trans-14.9128.1132.7-58.6158.1000114.8
575S28.3Very low26.2Very low103 Ų103148.3 Ų148.372%0.7280%0.8SS**  trans-154.7100.9142.9173.40000109.1
576S25.1Very low25.9Very low111 Ų111148.7 Ų148.778%0.77680%0.802SS**  trans-76.8112.8169.237.10000110
577Q28.7Very low25.8Very low179 Ų179143.8 Ų143.884%0.83680%0.799SS**  trans-121.2113.2161.1-87.4-173.7-15.300109.1
578S22.6Very low26Very low121 Ų121142.9 Ų142.985%0.84680%0.802SS**  trans-72.3127.1163.5630000109
579S29.7Very low25.8Very low120 Ų120143.2 Ų143.284%0.83980%0.804SS**  trans-140.4112151.455.70000108.5
580T21.9Very low25.9Very low127 Ų127146.3 Ų146.378%0.77980%0.803SS**  trans-76.2148.5162-56.10000108.2
581I28.2Very low25.9Very low161 Ų161145.1 Ų145.183%0.82680%0.801SS**  trans153.8144.5150.3-80.6161.3000108.4
582P39.6Very low26Very low106 Ų106149.6 Ų149.669%0.68881%0.81SS**  -122.1173.3-109.323.41.6000114.3Q584P582-Q584 PolarHBondContact O-N 3.11Å
583I23.7Very low26Very low155 Ų155150 Ų15080%0.79581%0.811SS**  trans2111153.4-54.2166.3000115.3
584Q24.7Very low25.8Very low190 Ų190153.8 Ų153.889%0.88881%0.814SS**  trans-130.5112.7149.6-146.8171.87.600107.7P582 E586P582-Q584 PolarHBondContact O-N 3.11Å; Q584-E586 PolarHBondContact O-N 3.5Å
585C19Very low26Very low118 Ų118151.6 Ų151.680%0.79781%0.812SS**  trans-68.6120170.7-680000108.9
586E26.1Very low25.8Very low180 Ų180151.4 Ų151.484%0.84181%0.81SS**  trans-137112.5158.3-132.8172.5-165.900108Q584 N588Q584-E586 PolarHBondContact O-N 3.5Å; E586-N588 PolarHBondContact O-N 2.58Å
587G21.6Very low25.8Very low75 Ų75151.3 Ų151.377%0.77381%0.81SS**  trans-65.5122.4179.500000109.9
588N27.8Very low25.7Very low154 Ų154149.2 Ų149.282%0.82481%0.809SS**  trans-126.597.8158.8-89-35000108E586 R590E586-N588 PolarHBondContact O-N 2.58Å; N588-R590 PolarHBondContact O-N 2.93Å
589E23.8Very low25.9Very low187 Ų187148.3 Ų148.387%0.87480%0.803SS**  trans-48.6115.7154.3-69.9-175.7144.600108.8
590R25.6Very low25.9Very low230 Ų230148.1 Ų148.187%0.86880%0.799SS**  trans16599.5144.6-92.8161.4-173.1-148.34.2108.9N588N588-R590 PolarHBondContact O-N 2.93Å
591Q28.9Very low26.1Very low176 Ų176147.4 Ų147.482%0.82280%0.799SS**  164.1118.1114.1-89.7168.910.600109I593Q591-I593 PolarHBondContact O-N 3.34Å
592K24.1Very low26.4Very low213 Ų213149.5 Ų149.593%0.92680%0.803SS**  trans-53.297.6163.4-78.1172.3172.21730109.2R594K592-R594 VanDerWaalsContact C-N 3.3Å; K592-R594 PolarHBondContact O-N 3.44Å
593I26.4Very low25.9Very low142 Ų142153.1 Ų153.173%0.72881%0.807SS**  trans-86.386.6157.3-56.4178.7000105.8Q591 C595Q591-I593 PolarHBondContact O-N 3.34Å; I593-C595 VanDerWaalsContact C-N 3.32Å; I593-C595 PolarHBondContact O-N 3.36Å
594R23.8Very low26Very low223 Ų223151.7 Ų151.784%0.84281%0.808SS**  trans-68.395.8165.3-166.4-179.5-143.6160.73.4106K592 S596K592-R594 VanDerWaalsContact C-N 3.3Å; K592-R594 PolarHBondContact O-N 3.44Å; R594-S596 VanDerWaalsContact C-N 3.28Å; R594-S596 PolarHBondContact O-N 3.2Å
595C25.9Very low26.1Very low112 Ų112150 Ų15076%0.75780%0.804SS**  trans-6692169.7-68.50000108.4I593 S597I593-C595 VanDerWaalsContact C-N 3.32Å; I593-C595 PolarHBondContact O-N 3.36Å; C595-S597 VanDerWaalsContact C-N 3.34Å; C595-S597 PolarHBondContact O-N 2.83Å
596S25Very low26.4Very low99 Ų99155.7 Ų155.769%0.69281%0.808SS**  trans-67.294.1164.8-54.50000107.6R594 T598R594-S596 VanDerWaalsContact C-N 3.28Å; R594-S596 PolarHBondContact O-N 3.2Å; S596-T598 PolarHBondContact O-N 3.38Å
597S25.7Very low26.3Very low109 Ų109154.5 Ų154.576%0.76281%0.806SS**  trans-70.496.7168.359.10000108.1C595 S599C595-S597 VanDerWaalsContact C-N 3.34Å; C595-S597 PolarHBondContact O-N 2.83Å; S597-S599 PolarHBondContact O-N 2.75Å
598T25.6Very low26.4Very low135 Ų135157.7 Ų157.783%0.82880%0.804SS**  trans-63.3100.8171.4-10.90000108.4S596S596-T598 PolarHBondContact O-N 3.38Å
599S26.5Very low26.2Very low102 Ų102155.8 Ų155.871%0.71380%0.8SS**  trans-57.7126169.3-550000108.7S597 S601S597-S599 PolarHBondContact O-N 2.75Å; S599-S601 PolarHBondContact O-N 2.86Å
600P29.1Very low26.3Very low117 Ų117154.6 Ų154.676%0.7680%0.798SS**  trans-64.3125.1-176.1-15.127.4000109.7K602P600-K602 PolarHBondContact O-N 3.32Å
601S27.5Very low26.2Very low112 Ų112148.7 Ų148.778%0.78379%0.792SS**  trans-63.299.5172.660.90000109.2S599 K603S599-S601 PolarHBondContact O-N 2.86Å; S601-K603 PolarHBondContact O-N 3.09Å
602K33.6Very low26Very low205 Ų205152 Ų15289%0.89180%0.797SS**  trans-67.5100.1174.2-79-179.4178175.80108.2P600P600-K602 PolarHBondContact O-N 3.32Å
603K29.2Very low26.2Very low181 Ų181148.4 Ų148.479%0.78779%0.793SS**  trans-55.2134.9168.5-71178.5179176.10109.1S601 I605S601-K603 PolarHBondContact O-N 3.09Å; K603-I605 PolarHBondContact O-N 3.05Å
604P26.9Very low26.2Very low125 Ų125151.2 Ų151.281%0.81280%0.8SS**  trans-64.3124.6-176.624.8-32.2000110.3R606P604-R606 PolarHBondContact O-N 2.8Å; P604-R606 VanDerWaalsContact O-N 3.13Å
605I26.6Very low26.4Very low155 Ų155145.8 Ų145.880%0.79580%0.796SS**  trans-63.8109.9176.5-63.6169.7000107.6K603 I607K603-I605 PolarHBondContact O-N 3.05Å; I605-I607 PolarHBondContact O-N 3Å; I605-I607 VanDerWaalsContact O-N 3.12Å
606R24.2Very low26.4Very low238 Ų238147 Ų14790%0.89880%0.8SS**  trans-68.3105.5171.4-101.2-177.7173177.5-1.6108.8P604 I608P604-R606 PolarHBondContact O-N 2.8Å; P604-R606 VanDerWaalsContact O-N 3.13Å; R606-I608 PolarHBondContact O-N 3.43Å
607I24.8Very low26.5Very low154 Ų154150.3 Ų150.379%0.7980%0.804SS**  trans-69.4114170.1-58.4173.9000107.6I605 P609I605-I607 PolarHBondContact O-N 3Å; I605-I607 VanDerWaalsContact O-N 3.12Å; I607-P609 VanDerWaalsContact O-CD 3.31Å; I607-P609 WeakPolarHBondContact O-CD 3.45Å
608I24.2Very low26.5Very low143 Ų143150.7 Ų150.773%0.73380%0.804SS**  trans-81.2114.3173.8-59.6172.6000107.3R606 I610R606-I608 PolarHBondContact O-N 3.43Å; I608-I610 PolarHBondContact O-N 3.33Å
609P23.5Very low26.4Very low114 Ų114154.6 Ų154.674%0.7481%0.81SS**  trans-70.1113.7176.726.9-31.1000109.7I607 S611I607-P609 VanDerWaalsContact O-CD 3.31Å; I607-P609 WeakPolarHBondContact O-CD 3.45Å; P609-S611 PolarHBondContact O-N 3.26Å
610I24.8Very low26.6Very low161 Ų161158 Ų15883%0.82682%0.819SS**  trans-73.2105.4175.7-58.4171.2000107.8I608 R612I608-I610 PolarHBondContact O-N 3.33Å; I610-R612 PolarHBondContact O-N 3.09Å
611S24.4Very low26.5Very low106 Ų106162.2 Ų162.274%0.74183%0.826SS**  trans-69.4124.7173.6400000110.4P609 T613P609-S611 PolarHBondContact O-N 3.26Å; S611-T613 PolarHBondContact O-N 3.37Å
612R24.6Very low26.4Very low245 Ų245165.2 Ų165.293%0.92583%0.827SS**  trans-56.3113.3179.3-71.5175.7175.6172-1.3111I610 K614I610-R612 PolarHBondContact O-N 3.09Å; R612-K614 PolarHBondContact O-N 3.34Å
613T27.3Very low26.1Very low138 Ų138161 Ų16185%0.84782%0.823SS**  trans-71.2117.916540.30000109S611 S615S611-T613 PolarHBondContact O-N 3.37Å; T613-S615 PolarHBondContact O-N 3.37Å; T613-S615 VanDerWaalsContact O-N 3.16Å
614K27.8Very low25.9Very low201 Ų201157.3 Ų157.387%0.87482%0.816SS**  trans-65.3110.9173.8-73.9180177.3178.60108.4R612 V616R612-K614 PolarHBondContact O-N 3.34Å; K614-V616 PolarHBondContact O-N 2.88Å
615S27.3Very low25.9Very low110 Ų110158.9 Ų158.977%0.76982%0.818SS**  trans-58.9117.8168.2170.40000109.2T613 E617T613-S615 PolarHBondContact O-N 3.37Å; T613-S615 VanDerWaalsContact O-N 3.16Å; S615-E617 PolarHBondContact O-N 3.38Å
616V25.8Very low26.1Very low137 Ų137156.9 Ų156.983%0.8381%0.812SS**  trans-72.5102.8174.3175.80000107.6K614K614-V616 PolarHBondContact O-N 2.88Å
617E27.9Very low26.3Very low169 Ų169152.7 Ų152.779%0.7981%0.808SS**  trans-73.6136.4174.5-121.4169179.600110.1S615S615-E617 PolarHBondContact O-N 3.38Å
618P25.4Very low26.3Very low117 Ų117155 Ų15576%0.7681%0.812SS**  trans-71.7134.8-175.3-12.327.5000112.1L620P618-L620 PolarHBondContact O-N 3.4Å
619K24Very low26.5Very low216 Ų216153.7 Ų153.794%0.93981%0.813SS**  trans-52101.3176-65.7176.3177.2-179.70111.9
620L29.1Very low26.5Very low175 Ų175153.5 Ų153.592%0.91681%0.81SS**  trans-94.5131.1158.7-91.9160.7000108.8P618 E622P618-L620 PolarHBondContact O-N 3.4Å; L620-E622 PolarHBondContact O-N 2.99Å
621K27Very low26.6Very low205 Ų205152.2 Ų152.289%0.89181%0.805SS**  trans-56.9119.6-168.4-74175174.4178.90112.4S623K621-S623 PolarHBondContact O-N 2.96Å
622E25.2Very low26.6Very low174 Ų174151.1 Ų151.181%0.81381%0.81SS**  trans-19.7105.8151-167.8168.4-157.700114.5L620 V624L620-E622 PolarHBondContact O-N 2.99Å; E622-V624 HydrophobicContact CG-CG2 3.82Å
623S27.5Very low26.6Very low116 Ų116149.8 Ų149.881%0.81181%0.806SS**  trans-99.2105.3147.257.40000106.7K621 D625K621-S623 PolarHBondContact O-N 2.96Å; S623-D625 PolarHBondContact O-N 3.42Å
624V25.5Very low26.5Very low105 Ų105150.6 Ų150.664%0.63680%0.804SS**  trans-56.6113.1174174.30000109E622 V626E622-V624 HydrophobicContact CG-CG2 3.82Å; V624-V626 HydrophobicContact CG1-CG2 3.55Å
625D27.9Very low26.2Very low158 Ų158150 Ų15085%0.84580%0.802SS**  trans-123.599.7155.8-133.9-18.3000107.4S623 N627S623-D625 PolarHBondContact O-N 3.42Å; D625-N627 PolarHBondContact O-N 3.19Å; D625-N627 VanDerWaalsContact O-N 3.15Å
626V29.8Very low26Very low112 Ų112149.7 Ų149.768%0.67980%0.795SS**  trans-70.8100.9179.21760000106.9V624V624-V626 HydrophobicContact CG1-CG2 3.55Å
627N28.2Very low25.8Very low151 Ų151149.7 Ų149.781%0.80779%0.789SS**  trans-16979.9149.2-87.5-34.5000109.5D625D625-N627 PolarHBondContact O-N 3.19Å; D625-N627 VanDerWaalsContact O-N 3.15Å
628K25.3Very low25.6Very low202 Ų202148.5 Ų148.588%0.87879%0.788SS**  trans-76.6129.2153.2-82.4180176.5177.60107.5
629P27.4Very low25.4Very low115 Ų115150 Ų15075%0.74779%0.788SS**  -131115.2115.625.5-9.5000111.2
630T24.7Very low25.3Very low111 Ų111144 Ų14468%0.68177%0.773SS**  trans6.8130.1132.5-13.90000117.7
631D27.2Very low25.1Very low134 Ų134142.1 Ų142.172%0.71777%0.769SS**  trans6366.5154.5-54.9-19.8000117.6Y633D631-Y633 WeakPolarHBondContact O-CD2 3.13Å; D631-Y633 PolarHBondContact O-N 3.22Å
632G23.5Very low25Very low83 Ų83138 Ų13886%0.85676%0.761SS**  trans-66.995.1165.800000111.8
633Y24.5Very low24.9Very low216 Ų216137.1 Ų137.185%0.84776%0.755SS**  trans-41.5141.8165-83.3-102.3000112.7D631 K635D631-Y633 WeakPolarHBondContact O-CD2 3.13Å; D631-Y633 PolarHBondContact O-N 3.22Å; Y633-K635 PolarHBondContact O-N 3.5Å
634I25.4Very low24.9Very low156 Ų156137.5 Ų137.580%0.875%0.754SS**  trans-48.4104.4170.2-62.4167000108.4T636I634-T636 VanDerWaalsContact C-N 3.33Å; I634-T636 PolarHBondContact O-N 3.39Å; I634-T636 VanDerWaalsContact O-N 3.09Å
635K22.1Very low24.9Very low189 Ų189142 Ų14282%0.82277%0.765SS**  trans-83.186.8174.6-158.3174.3-173.5178.40107.5Y633 I637Y633-K635 PolarHBondContact O-N 3.5Å; K635-I637 PolarHBondContact O-N 3.02Å
636T23.4Very low24.8Very low102 Ų102142.6 Ų142.663%0.62676%0.763SS**  trans-61.5102.7170.5-49.70000108.2I634 N638I634-T636 VanDerWaalsContact C-N 3.33Å; I634-T636 PolarHBondContact O-N 3.39Å; I634-T636 VanDerWaalsContact O-N 3.09Å; T636-N638 PolarHBondContact O-N 3.03Å; T636-N638 VanDerWaalsContact O-N 3.15Å
637I21.1Very low24.6Very low138 Ų138145.5 Ų145.571%0.70877%0.774SS**  trans-8193.4171.3-57.3175.5000106K635 I639K635-I637 PolarHBondContact O-N 3.02Å; I637-I639 HydrophobicContact CG2-CG1 4.25Å; I637-I639 PolarHBondContact O-N 3.44Å
638N22.7Very low24.5Very low143 Ų143144.7 Ų144.777%0.76577%0.77SS**  trans-65.5100.7165.7-81.4-12.5000107.5T636 S640T636-N638 PolarHBondContact O-N 3.03Å; T636-N638 VanDerWaalsContact O-N 3.15Å; N638-S640 VanDerWaalsContact C-N 3.27Å; N638-S640 PolarHBondContact O-N 3.22Å
639I22.5Very low24.3Very low148 Ų148144.4 Ų144.476%0.75977%0.771SS**  trans-7292.4168.2-56.8173.2000105.4I637 T641I637-I639 HydrophobicContact CG2-CG1 4.25Å; I637-I639 PolarHBondContact O-N 3.44Å; I639-T641 PolarHBondContact O-N 2.87Å; I639-T641 VanDerWaalsContact O-N 3.15Å
640S22.2Very low24.1Very low90 Ų90145 Ų14563%0.62977%0.773SS**  trans-62.3116.4173.5-167.40000107.9N638 T642N638-S640 VanDerWaalsContact C-N 3.27Å; N638-S640 PolarHBondContact O-N 3.22Å; S640-T642 PolarHBondContact O-N 3Å
641T24.5Very low24Very low136 Ų136145.3 Ų145.383%0.83478%0.78SS**  trans-69.768.9170.344.50000108.8I639 K643I639-T641 PolarHBondContact O-N 2.87Å; I639-T641 VanDerWaalsContact O-N 3.15Å; T641-K643 PolarHBondContact O-N 3.07Å; T641-K643 VanDerWaalsContact O-N 3.16Å
642T23.9Very low24Very low119 Ų119144.9 Ų144.973%0.7378%0.782SS**  trans-72107.1166.833.60000107.8S640S640-T642 PolarHBondContact O-N 3Å
643K24.3Very low23.8Very low156 Ų156147.7 Ų147.768%0.67878%0.783SS**  trans-41131.4167.4-82.9-178.9169.3-174.60108.7T641 K645 D732T641-K643 PolarHBondContact O-N 3.07Å; T641-K643 VanDerWaalsContact O-N 3.16Å; K643-K645 PolarHBondContact O-N 3.41Å; K643-K645 VanDerWaalsContact O-N 3.1Å; K643-D732 IonicContact NZ-OD2 3.3Å; K643-D732 PolarHBondContact NZ-OD2 3.45Å
644P26.5Very low23.9Very low123 Ų123142.9 Ų142.980%0.79978%0.778SS**  trans-60.3119.4-178.324.8-31000108.2E646P644-E646 PolarHBondContact O-N 3.12Å; P644-E646 VanDerWaalsContact O-N 3.11Å
645K26Very low23.8Very low199 Ų199146.5 Ų146.587%0.86578%0.782SS**  trans-53.6118.3173.4-85.3-179.9172.5-179.50108.1K643 L647K643-K645 PolarHBondContact O-N 3.41Å; K643-K645 VanDerWaalsContact O-N 3.1Å; K645-L647 PolarHBondContact O-N 3.06Å
646E24.7Very low23.9Very low172 Ų172142 Ų14280%0.80477%0.774SS**  trans-50.3109.1165.8-73.5178.9145.600108.3P644 N648P644-E646 PolarHBondContact O-N 3.12Å; P644-E646 VanDerWaalsContact O-N 3.11Å; E646-N648 VanDerWaalsContact C-N 3.27Å; E646-N648 PolarHBondContact O-N 3.22Å
647L26.6Very low24Very low172 Ų172144.6 Ų144.690%0.90178%0.784SS**  trans-75.991.9171.6-150.593.2000105.7K645 Q649K645-L647 PolarHBondContact O-N 3.06Å; L647-Q649 PolarHBondContact O-N 3.34Å
648N25.2Very low24.2Very low135 Ų135143.5 Ų143.572%0.72279%0.789SS**  trans-47.4125.6176.4-81.6-37000110.7E646 T650E646-N648 VanDerWaalsContact C-N 3.27Å; E646-N648 PolarHBondContact O-N 3.22Å; N648-T650 PolarHBondContact O-N 2.93Å; N648-T650 VanDerWaalsContact O-N 3.1Å
649Q22.3Very low24.4Very low195 Ų195142.5 Ų142.591%0.91179%0.788SS**  trans-48113.4169.6-65.7172.510.500109.3L647L647-Q649 PolarHBondContact O-N 3.34Å
650T23Very low24.5Very low127 Ų127140 Ų14078%0.77978%0.784SS**  trans-123.4106.8156.627.30000107.2N648 T652N648-T650 PolarHBondContact O-N 2.93Å; N648-T650 VanDerWaalsContact O-N 3.1Å; T650-T652 PolarHBondContact O-N 3.13Å; T650-T652 VanDerWaalsContact O-N 3.09Å
651S23Very low24.7Very low118 Ų118142 Ų14283%0.82579%0.794SS**  trans-45.5107.7168.953.10000111.1
652T25.8Very low24.8Very low125 Ų125140.6 Ų140.677%0.76779%0.791SS**  trans-150.1119.2146.339.30000107.3T650 P654T650-T652 PolarHBondContact O-N 3.13Å; T650-T652 VanDerWaalsContact O-N 3.09Å; T652-P654 VanDerWaalsContact O-CD 3.26Å; T652-P654 WeakPolarHBondContact O-CD 3.43Å
653T21.2Very low24.8Very low142 Ų142146.9 Ų146.987%0.87180%0.801SS**  trans-65.5129.4166.639.60000110.3
654P25.9Very low25Very low115 Ų115145.1 Ų145.175%0.74781%0.808SS**  trans-128.997.7147.825.7-4000109.5T652T652-P654 VanDerWaalsContact O-CD 3.26Å; T652-P654 WeakPolarHBondContact O-CD 3.43Å
655R22.9Very low25Very low232 Ų232144.3 Ų144.388%0.87581%0.805SS**  28.2105.7129-147.9169.2-172.8162.91.3116.3
656S23.9Very low24.9Very low95 Ų95146.6 Ų146.666%0.66481%0.809SS**  trans14.8107.9140.2600000117
657N26.2Very low24.9Very low156 Ų156142.7 Ų142.783%0.83480%0.8SS**  trans-140.882.8145.5-91.5-22.4000108.2T659N657-T659 VanDerWaalsContact C-N 3.35Å; N657-T659 PolarHBondContact O-N 3.15Å
658S24.8Very low24.9Very low116 Ų116142.1 Ų142.181%0.81180%0.798SS**  trans-67.493.7164.458.60000108.4
659T26.7Very low24.9Very low122 Ų122140.2 Ų140.275%0.74879%0.791SS**  trans-105.896.8163.6-33.50000106N657N657-T659 VanDerWaalsContact C-N 3.35Å; N657-T659 PolarHBondContact O-N 3.15Å
660S25.4Very low25Very low96 Ų96140.6 Ų140.667%0.67179%0.79SS**  trans-50.4133.4176-54.50000109.9S662S660-S662 PolarHBondContact O-N 3.03Å
661P26.5Very low25.2Very low130 Ų130144 Ų14484%0.84479%0.794SS**  trans-65.3104.9179.723.5-29.4000109.3R663P661-R663 PolarHBondContact O-N 2.98Å
662S26.9Very low25.3Very low108 Ų108143.7 Ų143.776%0.75579%0.792SS**  trans-53.9119174.6-45.40000109.8S660 S664S660-S662 PolarHBondContact O-N 3.03Å; S662-S664 PolarHBondContact O-N 3.13Å
663R23.2Very low25.3Very low251 Ų251141.6 Ų141.695%0.94778%0.782SS**  trans-35.692.9168.3-144.8177-170.7-1693.7110.7P661 S665P661-R663 PolarHBondContact O-N 2.98Å; R663-S665 PolarHBondContact O-N 2.9Å
664S28.6Very low25.7Very low118 Ų118140.7 Ų140.783%0.82578%0.779SS**  trans-76.2116.9177.3760000108.6S662 R666S662-S664 PolarHBondContact O-N 3.13Å; S664-R666 PolarHBondContact O-N 3.43Å
665S26.1Very low25.7Very low106 Ų106143.7 Ų143.774%0.74178%0.777SS**  trans-52123176.641.90000111.4R663 S667R663-S665 PolarHBondContact O-N 2.9Å; S665-S667 PolarHBondContact O-N 2.84Å
666R23.4Very low25.9Very low248 Ų248140.3 Ų140.394%0.93678%0.776SS**  trans-21.588.7164.2-148.7177.5-164-171.44112.3S664 N668S664-R666 PolarHBondContact O-N 3.43Å; R666-N668 PolarHBondContact O-N 2.62Å
667S26.3Very low26Very low89 Ų89145.1 Ų145.162%0.62279%0.785SS**  trans-75.3124.6170.852.40000107.7S665 T669S665-S667 PolarHBondContact O-N 2.84Å; S667-T669 PolarHBondContact O-N 3.44Å
668N25.1Very low26Very low160 Ų160147 Ų14786%0.85679%0.786SS**  trans-67.769.6171.7-80.7-25.7000109.4R666 K670R666-N668 PolarHBondContact O-N 2.62Å; N668-K670 PolarHBondContact O-N 3.22Å; N668-K670 VanDerWaalsContact O-N 3.13Å
669T26.6Very low25.9Very low96 Ų96148.7 Ų148.759%0.58979%0.785SS**  trans-76.898.5166.838.90000107.3S667 F671S667-T669 PolarHBondContact O-N 3.44Å; T669-F671 PolarHBondContact O-N 3.09Å
670K24.8Very low25.7Very low202 Ų202151 Ų15188%0.87879%0.787SS**  trans-47.4105.1167.3-72.9176.6177.4176.50108.1N668 S672N668-K670 PolarHBondContact O-N 3.22Å; N668-K670 VanDerWaalsContact O-N 3.13Å; K670-S672 PolarHBondContact O-N 3.3Å
671F26Very low25.6Very low199 Ų199153.6 Ų153.687%0.87379%0.786SS**  trans-58.5108.9172.7-76.8-87.5000107.9T669 S673T669-F671 PolarHBondContact O-N 3.09Å; F671-S673 PolarHBondContact O-N 3.48Å; F671-S673 VanDerWaalsContact O-N 3.13Å
672S25.6Very low25.3Very low112 Ų112155 Ų15578%0.78379%0.785SS**  trans-61.4114.6165.847.90000107K670K670-S672 PolarHBondContact O-N 3.3Å
673S25Very low25.1Very low80 Ų80158.2 Ų158.256%0.55978%0.782SS**  trans-51.9135179.159.40000109.8F671 Y675F671-S673 PolarHBondContact O-N 3.48Å; F671-S673 VanDerWaalsContact O-N 3.13Å; S673-Y675 PolarHBondContact O-N 2.88Å
674P30.1Very low25Very low124 Ų124150.9 Ų150.981%0.80578%0.775SS**  trans-77.268.1-175.833.7-34.7000109.9
675Y25.9Very low24.8Very low177 Ų177150.3 Ų150.369%0.69477%0.771SS**  trans-101.9125.4166.9-85.1-88.3000107.2S673S673-Y675 PolarHBondContact O-N 2.88Å
676N27Very low24.8Very low162 Ų162151.1 Ų151.187%0.86677%0.771SS**  trans89.428.1179.7-59.3-25.1000119.1K678N676-K678 PolarHBondContact O-N 2.91Å; N676-K678 VanDerWaalsContact O-N 3.16Å
677K26.5Very low25Very low195 Ų195145 Ų14585%0.84876%0.763SS**  trans-78.895150.3-78-169.4179-1770108.7I679K677-I679 PolarHBondContact O-N 3.27Å; K677-I679 VanDerWaalsContact O-N 3.13Å
678K25.5Very low25Very low195 Ų195150.1 Ų150.185%0.84878%0.775SS**  trans-46.1116.5163.9-158.1178.6-174.1-176.40106.8N676 E680N676-K678 PolarHBondContact O-N 2.91Å; N676-K678 VanDerWaalsContact O-N 3.16Å; K678-E680 VanDerWaalsContact C-N 3.29Å; K678-E680 PolarHBondContact O-N 3.43Å
679I23.6Very low25Very low153 Ų153147.3 Ų147.379%0.78577%0.768SS**  trans-65.694.8178.7-60.3170.5000106.5K677 K681K677-I679 PolarHBondContact O-N 3.27Å; K677-I679 VanDerWaalsContact O-N 3.13Å; I679-K681 HydrophobicContact CG2-CG 4.41Å; I679-K681 PolarHBondContact O-N 3.44Å
680E22.2Very low24.8Very low170 Ų170152.2 Ų152.279%0.79478%0.781SS**  trans-65.4103.4163.3-83.5-177.3160.900106.6K678 I682K678-E680 VanDerWaalsContact C-N 3.29Å; K678-E680 PolarHBondContact O-N 3.43Å; E680-I682 VanDerWaalsContact C-N 3.34Å; E680-I682 PolarHBondContact O-N 2.79Å
681K22.8Very low25Very low150 Ų150149.1 Ų149.165%0.65277%0.773SS**  trans-67.498.6168.6-70.5-175.4177.7-175.30107I679 Y683I679-K681 HydrophobicContact CG2-CG 4.41Å; I679-K681 PolarHBondContact O-N 3.44Å; K681-Y683 VanDerWaalsContact C-N 3.3Å; K681-Y683 HydrophobicContact CB-CD2 4.1Å; K681-Y683 HydrophobicContact CB-CE2 3.61Å; K681-Y683 HydrophobicContact CD-CE2 4.17Å; K681-Y683 WeakPolarHBondContact CD-OH 3.49Å; K681-Y683 WeakPolarHBondContact O-CD2 3.4Å; K681-Y683 PolarHBondContact O-N 3.1Å
682I20.7Very low25.1Very low161 Ų161148.2 Ų148.283%0.82677%0.772SS**  trans-69.193.4167.7-56.6172.3000106E680E680-I682 VanDerWaalsContact C-N 3.34Å; E680-I682 PolarHBondContact O-N 2.79Å
683Y21.8Very low25.2Very low175 Ų175150.5 Ų150.569%0.68678%0.775SS**  trans-75122163-66-82000106.1K681 S685K681-Y683 VanDerWaalsContact C-N 3.3Å; K681-Y683 HydrophobicContact CB-CD2 4.1Å; K681-Y683 HydrophobicContact CB-CE2 3.61Å; K681-Y683 HydrophobicContact CD-CE2 4.17Å; K681-Y683 WeakPolarHBondContact CD-OH 3.49Å; K681-Y683 WeakPolarHBondContact O-CD2 3.4Å; K681-Y683 PolarHBondContact O-N 3.1Å; Y683-S685 PolarHBondContact O-N 2.86Å
684A22.1Very low25.1Very low97 Ų97153.3 Ų153.380%0.80278%0.781SS**  trans-49.8112.9170.600000107.7T686A684-T686 PolarHBondContact O-N 3.18Å; A684-T686 VanDerWaalsContact O-N 3.15Å
685S23.6Very low25Very low106 Ų106155.4 Ų155.474%0.74179%0.785SS**SBendtrans-62.9115.9-177.948.20000108.4Y683Y683-S685 PolarHBondContact O-N 2.86Å
686T25.6Very low24.9Very low123 Ų123150 Ų15076%0.75577%0.773SS**SBendtrans64.3126.9167.747.90000116.9A684 F688A684-T686 PolarHBondContact O-N 3.18Å; A684-T686 VanDerWaalsContact O-N 3.15Å; T686-F688 PolarHBondContact O-N 2.86Å
687P28.4Very low24.8Very low118 Ų118147.2 Ų147.277%0.76676%0.758SS**SBendtrans-67.1112.1177.328.4-31000108.9S689P687-S689 PolarHBondContact O-N 2.79Å
688F26.7Very low24.9Very low198 Ų198143.4 Ų143.487%0.86876%0.756SS**  trans25.589154.4-55.8-81.7000114.7T686 K690T686-F688 PolarHBondContact O-N 2.86Å; F688-K690 PolarHBondContact O-N 3.04Å; F688-K690 VanDerWaalsContact O-N 3.14Å
689S24Very low25Very low101 Ų101138.7 Ų138.771%0.70675%0.747SS**  trans-53.5120.1152.851.40000107.3P687 L691P687-S689 PolarHBondContact O-N 2.79Å; S689-L691 PolarHBondContact O-N 3.17Å
690K23.5Very low25.2Very low198 Ų198136.9 Ų136.986%0.86174%0.744SS**  trans-41.295.9175.1-91.9178.5168.7178.20110.3F688 Q692F688-K690 PolarHBondContact O-N 3.04Å; F688-K690 VanDerWaalsContact O-N 3.14Å; K690-Q692 PolarHBondContact O-N 2.91Å
691L28Very low25.3Very low138 Ų138134.8 Ų134.872%0.72373%0.734SS**  trans-78.299.1166.2-82.2157.1000105.3S689 N693S689-L691 PolarHBondContact O-N 3.17Å; L691-N693 PolarHBondContact O-N 2.84Å
692Q28.4Very low25.3Very low180 Ų180134.7 Ų134.784%0.84174%0.737SS**THydrogen-bonded Turntrans-62.6-2.5-165.2-121.9167.9-15.900115.4K690K690-Q692 PolarHBondContact O-N 2.91Å
693N28Very low25.4Very low159 Ų159133.7 Ų133.785%0.8573%0.733SS**THydrogen-bonded Turntrans-128.420.5-170-66.4-10.8000115.1L691L691-N693 PolarHBondContact O-N 2.84Å
694M23.3Very low25.5Very low140 Ų140127.2 Ų127.269%0.6971%0.713SS**  trans-92.2102.1166.2-79.5-164.573.300110.7S696M694-S696 PolarHBondContact O-N 3.04Å
695L26.7Very low25.7Very low168 Ų168128 Ų12888%0.8871%0.71SS**  trans-63.5102158.9-83.4151.7000107.9
696S24.8Very low25.8Very low63 Ų63130.2 Ų130.244%0.44171%0.712SS.*  trans38.7105.1161.654.20000117.2M694 S698 Q701M694-S696 PolarHBondContact O-N 3.04Å; S696-S698 PolarHBondContact O-N 3.14Å; S696-Q701 PolarHBondContact OG-NE2 3.09Å
697D25.2Very low25.8Very low103 Ų103128 Ų12855%0.55171%0.707SS**  trans-44.2123.2167.1-143.3-5.9000111.8S699 T700D697-S699 PolarHBondContact O-N 3.08Å; D697-T700 PolarHBondContact O-N 3.35Å; D697-T700 PolarHBondContact O-OG1 2.81Å
698S28.9Very low25.6Very low115 Ų115129.1 Ų129.180%0.80471%0.712SS**THydrogen-bonded Turntrans-59.95.9-176.758.60000115.7S696S696-S698 PolarHBondContact O-N 3.14Å
699S27.2Very low25.5Very low96 Ų96121.5 Ų121.567%0.67169%0.688SS**THydrogen-bonded Turntrans-83.9-8171.660.50000114.1D697D697-S699 PolarHBondContact O-N 3.08Å
700T26.6Very low25.5Very low116 Ų116123.2 Ų123.271%0.71269%0.694SS**SBendtrans-123.610.5-178.9390000116.6D697D697-T700 PolarHBondContact O-N 3.35Å; D697-T700 PolarHBondContact O-OG1 2.81Å
701Q24Very low25.7Very low126 Ų126121.8 Ų121.859%0.58969%0.689SS**  trans-128.685172.2-67.8-175.520.800111.7S696S696-Q701 PolarHBondContact OG-NE2 3.09Å
702M22.9Very low25.7Very low147 Ų147120.5 Ų120.572%0.72469%0.686SS**  trans-124.593.5150.8-79-164.866.600107.6
703I23.7Very low25.8Very low141 Ų141119.2 Ų119.272%0.72369%0.686SS**  trans-67.5128.1167.6-67169.3000106.7
704S23.6Very low25.8Very low39 Ų39118.6 Ų118.627%0.27368%0.682SS.*  trans-47.3157.1176.450.50000113.7L706S704-L706 PolarHBondContact O-N 3.08Å
705P25.6Very low25.8Very low113 Ų113115.6 Ų115.673%0.73469%0.687SS**  trans-56.3112.1169.223.4-30.9000109.2A707P705-A707 PolarHBondContact O-N 2.88Å
706L26.8Very low25.7Very low152 Ų152113.6 Ų113.680%0.79668%0.681SS**  trans-55.1134.2172.8-81.3154.4000108.3S704S704-L706 PolarHBondContact O-N 3.08Å
707A26.4Very low25.6Very low78 Ų78115.9 Ų115.965%0.64569%0.693SS**  trans-38.8138.5179.600000112.5P705 G709P705-A707 PolarHBondContact O-N 2.88Å; A707-G709 PolarHBondContact O-N 3.25Å
708T24.2Very low25.5Very low141 Ų141115.6 Ų115.687%0.86570%0.698SS**  trans-63.875.6155.949.80000108.1
709G23.7Very low25.4Very low37 Ų37120.2 Ų120.238%0.38170%0.699SS.*  trans-94.1137.1164.200000108.3A707 F711A707-G709 PolarHBondContact O-N 3.25Å; G709-F711 VanDerWaalsContact C-N 3.3Å; G709-F711 WeakPolarHBondContact O-CD2 3.49Å; G709-F711 WeakPolarHBondContact O-CE2 3.44Å; G709-F711 PolarHBondContact O-N 3Å
710V24.8Very low25.3Very low137 Ų137119.5 Ų119.583%0.8370%0.699SS**  trans-68.192.6171.6177.80000107T712V710-T712 HydrophobicContact CG1-CG2 4.44Å; V710-T712 PolarHBondContact O-N 3.49Å; V710-T712 VanDerWaalsContact O-N 3.11Å
711F27.4Very low25.2Very low169 Ų169122.1 Ų122.174%0.74171%0.708SS**  trans-75.899.4175.8-67.9-79000108.1G709 N713G709-F711 VanDerWaalsContact C-N 3.3Å; G709-F711 WeakPolarHBondContact O-CD2 3.49Å; G709-F711 WeakPolarHBondContact O-CE2 3.44Å; G709-F711 PolarHBondContact O-N 3Å; F711-N713 PolarHBondContact O-N 3.39Å
712T27.4Very low25.4Very low110 Ų110121.5 Ų121.568%0.67571%0.713SS**  trans-68.1126.3174460000110.2V710 D714V710-T712 HydrophobicContact CG1-CG2 4.44Å; V710-T712 PolarHBondContact O-N 3.49Å; V710-T712 VanDerWaalsContact O-N 3.11Å; T712-D714 PolarHBondContact O-N 3.49Å
713N30.7Very low25.4Very low154 Ų154117 Ų11782%0.82471%0.705SS**SBendtrans82.1-15.2155.3-60.7-12.5000122.1F711F711-N713 PolarHBondContact O-N 3.39Å
714D27Very low25.4Very low146 Ų146113.7 Ų113.778%0.78169%0.688SS**  trans-113.284.4174.9-68.3-26.8000111.6T712 V716T712-D714 PolarHBondContact O-N 3.49Å; D714-V716 PolarHBondContact O-N 3.4Å
715G25.1Very low25.5Very low77 Ų77118.9 Ų118.979%0.79471%0.708SS**  trans-69.290.1-176.200000113.5
716V23.4Very low25.5Very low125 Ų125120.2 Ų120.276%0.75870%0.699SS**PPolyproline II helixtrans-79.2122.3167-179.80000109.5D714D714-V716 PolarHBondContact O-N 3.4Å
717T23.5Very low25.3Very low111 Ų111124.2 Ų124.268%0.68170%0.703SS**PPolyproline II helixtrans-99.5118.8179.5-43.40000109.5
718C23.4Very low25.3Very low97 Ų97129.2 Ų129.266%0.65571%0.714SS**PPolyproline II helixtrans-102.4136-173.1-64.30000112.3
719Y26Very low25.4Very low212 Ų212130.8 Ų130.883%0.83171%0.708SS**  trans-113.4142.6175.4-64.4-86.9000111.2
720A25Very low25.7Very low81 Ų81134 Ų13467%0.66972%0.721SS**  trans-105.4124.6-173.700000111.9
721L25.4Very low26.2Very low172 Ų172133.4 Ų133.490%0.90171%0.713SS**  trans-136.4138.8172.8-71.2172.2000111.6
722T26.5Very low26.2Very low113 Ų113130.7 Ų130.769%0.69371%0.706SS**  trans-96.4134.4-167.3570000113.5
723G24.5Very low26.6Very low53 Ų53131.1 Ų131.155%0.54671%0.709SS.*  trans65.886.4150.500000116.6
724L24Very low26.6Very low71 Ų71129.1 Ų129.137%0.37270%0.702SS.*  trans-134.6121.1180-99.5174.1000113.1Y726 V762L724-Y726 HydrophobicContact CB-CE2 4.46Å; L724-V762 HydrophobicContact CD1-CB 4.42Å; L724-V762 HydrophobicContact CD1-CG1 3.9Å; L724-V762 HydrophobicContact CD1-CG2 3.91Å; L724-V762 HydrophobicContact CD2-CB 3.55Å; L724-V762 HydrophobicContact CD2-CG1 3.17Å; L724-V762 HydrophobicContact CD2-CG2 3.78Å; L724-V762 HydrophobicContact CG-CB 4.47Å; L724-V762 HydrophobicContact CG-CG1 3.77Å; L724-V762 HydrophobicContact CG-CG2 4.43Å
725Q25.3Very low26.6Very low147 Ų147131 Ų13169%0.68771%0.709SS**  trans-91.2127.7165.1-101.1-178.93.900109.9
726Y24.4Very low26.9Very low142 Ų142134 Ų13456%0.55771%0.707SS**  trans-93.7121.3177.7-59.4-86.6000110.2L724 L760L724-Y726 HydrophobicContact CB-CE2 4.46Å; Y726-L760 HydrophobicContact CD1-CD2 3.85Å
727R23.5Very low27.2Very low235 Ų235135.7 Ų135.789%0.88771%0.711SS**  trans-112121.1162.1-92.5-172.1175-175.30.1109K729R727-K729 PolarHBondContact O-N 3.23Å
728Q26.2Very low27.6Very low184 Ų184140.1 Ų140.186%0.8672%0.721SS**  trans-72.4110.5167.3-170.8175.617.300108.2T730Q728-T730 PolarHBondContact O-N 2.85Å
729K25.6Very low27.9Very low173 Ų173143 Ų14375%0.75273%0.728SS**  trans-73.4106.2167.8-110.8-178.2176.3-179.60107.3R727 N731R727-K729 PolarHBondContact O-N 3.23Å; K729-N731 PolarHBondContact O-N 3Å
730T30.9Very low28Very low104 Ų104138.1 Ų138.164%0.63873%0.725SS**  trans-72.3114.9163.848.70000107.2Q728 D732Q728-T730 PolarHBondContact O-N 2.85Å; T730-D732 VanDerWaalsContact C-N 3.3Å; T730-D732 PolarHBondContact O-N 3.07Å
731N34.3Very low28.3Very low126 Ų126139.4 Ų139.467%0.67473%0.729SS**  trans-66.894.2170.8-71.9-19000107.5K729 T733K729-N731 PolarHBondContact O-N 3Å; N731-T733 PolarHBondContact O-N 3.1Å
732D29.1Very low28.4Very low112 Ų112135.9 Ų135.960%0.59972%0.719SS**  trans-67.574.7162-82.4-5.5000106.8K643 T730 T734K643-D732 IonicContact NZ-OD2 3.3Å; K643-D732 PolarHBondContact NZ-OD2 3.45Å; T730-D732 VanDerWaalsContact C-N 3.3Å; T730-D732 PolarHBondContact O-N 3.07Å; D732-T734 VanDerWaalsContact C-N 3.34Å; D732-T734 PolarHBondContact O-N 3.37Å
733T34.1Very low28.5Very low119 Ų119136.9 Ų136.973%0.7372%0.72SS**  trans-68.2100168-51.50000106.3N731 M735N731-T733 PolarHBondContact O-N 3.1Å; T733-M735 PolarHBondContact O-N 2.82Å; T733-M735 VanDerWaalsContact O-N 3.12Å
734T31.1Very low28.8Very low112 Ų112140.4 Ų140.469%0.68773%0.727SS**  trans-36.4112.8168.522.10000111.3D732 N736D732-T734 VanDerWaalsContact C-N 3.34Å; D732-T734 PolarHBondContact O-N 3.37Å; T734-N736 PolarHBondContact O-N 3.49Å
735M28.1Very low29.2Very low185 Ų185143.7 Ų143.791%0.91175%0.745SS**  trans-58.289.8160.6-79.1-76.9-170.900108T733T733-M735 PolarHBondContact O-N 2.82Å; T733-M735 VanDerWaalsContact O-N 3.12Å
736N30.6Very low29.7Very low141 Ų141144.4 Ų144.475%0.75475%0.753SS**  trans-89.1106166.6-90.4-15.1000107.6T734 K738T734-N736 PolarHBondContact O-N 3.49Å; N736-K738 PolarHBondContact O-N 3.26Å
737D29.6Very low30Very low159 Ų159144.8 Ų144.885%0.8577%0.765SS**  trans-46.9106.1161.1-72.7-39.6000109.7
738K31.9Very low30.3Very low204 Ų204140.4 Ų140.489%0.88776%0.759SS**  trans-124.7102.3159-95.1-172.6178.2-1780109.1N736 S740N736-K738 PolarHBondContact O-N 3.26Å; K738-S740 PolarHBondContact O-N 3.01Å
739I30.3Very low30.4Very low157 Ų157138.7 Ų138.781%0.80576%0.756SS**  trans-45.3127.5168.7-67.9161.5000109.9
740S27Very low30.6Very low110 Ų110137.3 Ų137.377%0.76976%0.756SS**  trans-30.3123165.152.30000115.2K738K738-S740 PolarHBondContact O-N 3.01Å
741S32.3Very low30.6Very low108 Ų108138.8 Ų138.876%0.75576%0.76SS**  trans-130.297.4154.460.90000109.1
742S27Very low30.5Very low99 Ų99139.7 Ų139.769%0.69277%0.765SS**  trans26.6129.4134.362.80000120.7
743N29.3Very low30.5Very low134 Ų134141.6 Ų141.672%0.71777%0.77SS**  trans111.5107.1139.6-67.75.4000117.7
744D30.4Very low30.3Very low127 Ų127140.6 Ų140.668%0.67977%0.768SS**  77.2121.2122.2-55.3-22000120
745D32.4Very low30.2Very low140 Ų140142.4 Ų142.475%0.74977%0.774SS**  trans63.598.3142.6-55.4-21.7000118.1
746D34.6Very low30Very low162 Ų162139.3 Ų139.387%0.86677%0.765SS**  176.2130.496.8-97.2-29.6000111.1N748D746-N748 PolarHBondContact O-N 2.99Å
747D30.6Very low29.9Very low150 Ų150137.5 Ų137.580%0.80276%0.764SS**  trans-56.7126.8166.5-80.2-45.2000111
748N29.9Very low29.6Very low143 Ų143135.4 Ų135.477%0.76576%0.757SS**  179119.3118.4-96.3-52.5000111.7D746 N750D746-N748 PolarHBondContact O-N 2.99Å; N748-N750 PolarHBondContact O-N 3.15Å
749N29.3Very low29.2Very low147 Ų147131.9 Ų131.979%0.78675%0.753SS**  trans-9.691.2155-64.2-33.2000115.4
750N30.5Very low28.9Very low144 Ų144130 Ų13077%0.7774%0.744SS**  trans-109.3107146.8-83.2-29.1000106.1N748 D752N748-N750 PolarHBondContact O-N 3.15Å; N750-D752 PolarHBondContact O-N 2.76Å
751D30.9Very low28.8Very low135 Ų135129.3 Ų129.372%0.72274%0.739SS**  trans-61.474.3165.6-76.7-44.4000108.7H753D751-H753 PolarHBondContact O-N 3.16Å
752D30.7Very low28.4Very low145 Ų145129.1 Ų129.178%0.77573%0.733SS**  trans-72.174.1163.5-91.3-20000107.2N750 S754N750-D752 PolarHBondContact O-N 2.76Å; D752-S754 PolarHBondContact O-N 3.13Å
753H29.9Very low28.2Very low152 Ų152128.3 Ų128.370%0.70473%0.727SS**  trans-62.584.7156.6-76.8-53.6000107.2D751 N755D751-H753 PolarHBondContact O-N 3.16Å; H753-N755 PolarHBondContact O-N 2.84Å
754S29.8Very low28Very low98 Ų98129.6 Ų129.669%0.68572%0.722SS**  trans-54.993.7165.853.90000108.1D752 T756D752-S754 PolarHBondContact O-N 3.13Å; S754-T756 PolarHBondContact O-N 2.99Å
755N28.9Very low27.7Very low150 Ų150131.1 Ų131.180%0.80273%0.725SS**  trans-61.688.6170.7-80.4-26.8000107.3H753 S757H753-N755 PolarHBondContact O-N 2.84Å; N755-S757 PolarHBondContact O-N 3.06Å
756T24.7Very low27.3Very low120 Ų120129.8 Ų129.874%0.73672%0.716SS**  trans-69.480.5172.833.40000107.9S754 T758S754-T756 PolarHBondContact O-N 2.99Å; T756-T758 PolarHBondContact O-N 2.92Å
757S27.6Very low26.9Very low103 Ų103129 Ų12972%0.7271%0.711SS**  trans-63.8102.4169.556.20000108.3N755 T759N755-S757 PolarHBondContact O-N 3.06Å; S757-T759 PolarHBondContact O-N 3.09Å; S757-T759 VanDerWaalsContact O-N 3.15Å
758T23.4Very low26.6Very low115 Ų115128.1 Ų128.171%0.70671%0.707SS**  trans-79.496.2176.417.30000107.8T756 L760T756-T758 PolarHBondContact O-N 2.92Å; T758-L760 PolarHBondContact O-N 2.95Å
759T23.3Very low26.4Very low130 Ų130133 Ų13380%0.79872%0.715SS**  trans-66.6104176.753.10000110.2S757 S761S757-T759 PolarHBondContact O-N 3.09Å; S757-T759 VanDerWaalsContact O-N 3.15Å; T759-S761 PolarHBondContact O-N 2.98Å
760L24Very low26.3Very low119 Ų119132 Ų13262%0.62371%0.714SS**PPolyproline II helixtrans-69121.2169.2-97.8152.2000109.2Y726 T758Y726-L760 HydrophobicContact CD1-CD2 3.85Å; T758-L760 PolarHBondContact O-N 2.95Å
761S24.3Very low26.2Very low94 Ų94126.7 Ų126.766%0.65769%0.693SS**PPolyproline II helixtrans-99.2132172.448.30000110.1T759T759-S761 PolarHBondContact O-N 2.98Å
762V25Very low26.3Very low105 Ų105126.8 Ų126.864%0.63670%0.701SS**PPolyproline II helixtrans-99.8125.3-170.31620000108.9L724L724-V762 HydrophobicContact CD1-CB 4.42Å; L724-V762 HydrophobicContact CD1-CG1 3.9Å; L724-V762 HydrophobicContact CD1-CG2 3.91Å; L724-V762 HydrophobicContact CD2-CB 3.55Å; L724-V762 HydrophobicContact CD2-CG1 3.17Å; L724-V762 HydrophobicContact CD2-CG2 3.78Å; L724-V762 HydrophobicContact CG-CB 4.47Å; L724-V762 HydrophobicContact CG-CG1 3.77Å; L724-V762 HydrophobicContact CG-CG2 4.43Å
763S23.7Very low26.3Very low82 Ų82127 Ų12757%0.57370%0.702SS**  trans-131.5137.3171.458.70000111.5
764R24.7Very low26.3Very low161 Ų161122.6 Ų122.661%0.60869%0.689SS**  trans-110.1121.1-165.1-179.9-172.9-171-168.50.7109.7M766R764-M766 HydrophobicContact CG-CG 4.04Å; R764-M766 HydrophobicContact CG-SD 4.48Å; R764-M766 PolarHBondContact NE-SD 3.07Å; R764-M766 PolarHBondContact NH2-SD 3.2Å; R764-M766 VanDerWaalsContact NH2-SD 3.39Å
765E23.2Very low26.2Very low159 Ų159122.7 Ų122.774%0.74370%0.695SS**  trans-111.5111.4164.7-85.8-171.7162.500109.6
766M24.9Very low26.1Very low112 Ų112122.1 Ų122.155%0.55269%0.687SS**  trans-92.799175.5-68.4159.171.400109R764R764-M766 HydrophobicContact CG-CG 4.04Å; R764-M766 HydrophobicContact CG-SD 4.48Å; R764-M766 PolarHBondContact NE-SD 3.07Å; R764-M766 PolarHBondContact NH2-SD 3.2Å; R764-M766 VanDerWaalsContact NH2-SD 3.39Å
767N25.4Very low26.1Very low144 Ų144122 Ų12277%0.7769%0.687SS**  trans-103.788.4164.9-75-31.3000108.6W769N767-W769 PolarHBondContact O-N 3.02Å
768N25.3Very low26Very low132 Ų132125.8 Ų125.871%0.70669%0.687SS**  trans-65.6124.6169.7-74.65.4000108.9
769W24.3Very low26.1Very low247 Ų247129.7 Ų129.794%0.93669%0.689SS**  trans-119.7104.6164.5-115.665.9000108.5N767N767-W769 PolarHBondContact O-N 3.02Å
770T28.2Very low26.2Very low126 Ų126130 Ų13077%0.77369%0.685SS**  trans-92.7106.2172.947.70000108.4
771G28.6Very low26.4Very low32 Ų32129.8 Ų129.833%0.3368%0.681SS.*  trans-77.5156.1167.600000110.8D773 S774G771-D773 VanDerWaalsContact C-N 3.29Å; G771-D773 PolarHBondContact O-N 2.82Å; G771-D773 VanDerWaalsContact O-N 3.16Å; G771-S774 PolarHBondContact O-OG 3.29Å
772P31.7Very low26.4Very low136 Ų136132.1 Ų132.188%0.88369%0.685SS**THydrogen-bonded Turntrans-65.6-20.7-167.4-20.932.1000116.3
773D31.8Very low26.5Very low149 Ų149134.1 Ų134.180%0.79769%0.691SS**THydrogen-bonded Turntrans-13115.9-177.5-71.6-36.5000113.6G771 A775G771-D773 VanDerWaalsContact C-N 3.29Å; G771-D773 PolarHBondContact O-N 2.82Å; G771-D773 VanDerWaalsContact O-N 3.16Å; D773-A775 PolarHBondContact O-N 3.45Å; D773-A775 VanDerWaalsContact O-N 3.14Å
774S29.7Very low26.5Very low61 Ų61137.2 Ų137.243%0.42770%0.701SS.*  trans-84.189.117257.80000109.4G771 E776G771-S774 PolarHBondContact O-OG 3.29Å; S774-E776 PolarHBondContact O-N 3.47Å
775A27.4Very low26.5Very low99 Ų99134.2 Ų134.282%0.81871%0.71SS**  trans-60.592.2156.100000107.6D773D773-A775 PolarHBondContact O-N 3.45Å; D773-A775 VanDerWaalsContact O-N 3.14Å
776E26.3Very low26.6Very low138 Ų138133 Ų13365%0.64571%0.709SS**  trans49.883.5160.6-56.3-180-176.100117.1S774 Y778S774-E776 PolarHBondContact O-N 3.47Å; E776-Y778 HydrophobicContact CB-CD2 4.2Å; E776-Y778 HydrophobicContact CB-CE2 3.58Å; E776-Y778 HydrophobicContact CG-CE2 4.47Å; E776-Y778 PolarHBondContact O-N 2.76Å; E776-Y778 WeakPolarHBondContact OE2-CE2 3.49Å; E776-Y778 PolarHBondContact OE2-OH 3.18Å
777T25Very low26.6Very low119 Ų119134.8 Ų134.873%0.7372%0.721SS**  trans-84.795.8164.8-9.30000110R779T777-R779 PolarHBondContact O-N 3.46Å
778Y25.9Very low26.6Very low182 Ų182134.2 Ų134.271%0.71472%0.722SS**  trans-70.7119171.2-65.4-89.5000110.2E776E776-Y778 HydrophobicContact CB-CD2 4.2Å; E776-Y778 HydrophobicContact CB-CE2 3.58Å; E776-Y778 HydrophobicContact CG-CE2 4.47Å; E776-Y778 PolarHBondContact O-N 2.76Å; E776-Y778 WeakPolarHBondContact OE2-CE2 3.49Å; E776-Y778 PolarHBondContact OE2-OH 3.18Å
779R26.8Very low26.6Very low197 Ų197135.7 Ų135.774%0.74373%0.729SS**  trans-102.8110.9173.5-174.9176.7176.7-173.5-4.7109.3T777 E781T777-R779 PolarHBondContact O-N 3.46Å; R779-E781 IonicContact CZ-OE1 3.54Å; R779-E781 IonicContact NE-OE1 3.86Å; R779-E781 PolarHBondContact NE-OE1 2.89Å; R779-E781 IonicContact NE-OE2 3.91Å; R779-E781 IonicContact NH2-OE1 2.97Å; R779-E781 PolarHBondContact NH2-OE1 2.98Å; R779-E781 IonicContact NH2-OE2 3.72Å; R779-E781 PolarHBondContact NH2-OE2 3.28Å
780L24Very low26.6Very low137 Ų137131 Ų13172%0.71772%0.721SS**  trans-104.8125.8174.9-120.1101.5000108.8
781E28.5Very low26.5Very low114 Ų114133.3 Ų133.353%0.53372%0.723SS.*  trans-133.7134.4172.9-74.5-179.8-173.900110.8R779R779-E781 IonicContact CZ-OE1 3.54Å; R779-E781 IonicContact NE-OE1 3.86Å; R779-E781 PolarHBondContact NE-OE1 2.89Å; R779-E781 IonicContact NE-OE2 3.91Å; R779-E781 IonicContact NH2-OE1 2.97Å; R779-E781 PolarHBondContact NH2-OE1 2.98Å; R779-E781 IonicContact NH2-OE2 3.72Å; R779-E781 PolarHBondContact NH2-OE2 3.28Å
782L25.1Very low26.5Very low143 Ų143140.8 Ų140.875%0.74975%0.746SS**  trans-97.8140.1-168.4-63.5104.3000111.9
783L25.8Very low26.3Very low147 Ų147141.2 Ų141.277%0.7774%0.741SS**  trans-119.7118.8169-104.6157.4000109.7
784L24.9Very low26.1Very low147 Ų147141 Ų14177%0.7774%0.74SS**  trans-81.4117.7172.8-74.8102.2000109.9N786L784-N786 PolarHBondContact O-N 3.44Å
785A24.5Very low26.1Very low98 Ų98147.5 Ų147.581%0.8176%0.764SS**  trans-85.184.8165.900000109.2N787A785-N787 PolarHBondContact O-N 3.3Å
786N24Very low26.3Very low133 Ų133152.5 Ų152.571%0.71177%0.767SS**  trans-77.8104.1162.6-86.80.2000107.9L784L784-N786 PolarHBondContact O-N 3.44Å
787N24.6Very low26.4Very low150 Ų150152.4 Ų152.480%0.80277%0.77SS**  trans159.271.1143.6-77.1-14.6000108.4A785 L789A785-N787 PolarHBondContact O-N 3.3Å; N787-L789 VanDerWaalsContact C-N 3.32Å; N787-L789 PolarHBondContact O-N 2.9Å; N787-L789 VanDerWaalsContact O-N 3.14Å
788V27.3Very low26.6Very low132 Ų132152.1 Ų152.180%0.877%0.768SS**  trans-69.9105150.1179.90000104.2I790V788-I790 VanDerWaalsContact C-N 3.31Å; V788-I790 PolarHBondContact O-N 2.85Å
789L24.6Very low26.8Very low162 Ų162150.9 Ų150.985%0.84877%0.773SS**  trans-54.499.4170.3-81.4156.4000107.1N787 E791N787-L789 VanDerWaalsContact C-N 3.32Å; N787-L789 PolarHBondContact O-N 2.9Å; N787-L789 VanDerWaalsContact O-N 3.14Å; L789-E791 PolarHBondContact O-N 3.3Å
790I24.3Very low27.1Very low150 Ų150145.4 Ų145.477%0.76977%0.766SS**  trans-67.2107.7166.6-61.2172.6000104.4V788 K792V788-I790 VanDerWaalsContact C-N 3.31Å; V788-I790 PolarHBondContact O-N 2.85Å; I790-K792 PolarHBondContact O-N 3.32Å
791E26.1Very low27.5Very low173 Ų173146.3 Ų146.381%0.80877%0.766SS**  trans-58.990.3173.8-139.1175.7-164.700107.9L789 N793L789-E791 PolarHBondContact O-N 3.3Å; E791-N793 VanDerWaalsContact C-N 3.25Å; E791-N793 PolarHBondContact O-N 2.99Å
792K27.8Very low27.6Very low189 Ų189148.1 Ų148.182%0.82278%0.778SS**  trans-66.893166.9-110.1-176.2175.5-179.90105.8I790I790-K792 PolarHBondContact O-N 3.32Å
793N27.6Very low27.8Very low146 Ų146148 Ų14878%0.78178%0.779SS**  trans158.577.1146.7-77.8-16.7000109.7E791E791-N793 VanDerWaalsContact C-N 3.25Å; E791-N793 PolarHBondContact O-N 2.99Å
794N28Very low28.1Very low144 Ų144147.9 Ų147.977%0.7778%0.779SS**  trans-158.867.4154.3-92.5-32000109.6K796N794-K796 PolarHBondContact O-N 3.2Å
795E30.6Very low28.3Very low198 Ų198147.8 Ų147.893%0.92578%0.778SS**THydrogen-bonded Turntrans-71.630.7-179.9-136.6175.2-149.700113.6
796K31.1Very low28.6Very low203 Ų203151.6 Ų151.688%0.88378%0.78SS**THydrogen-bonded Turntrans-131.710.6-177.3-97.3-174.5179.5178.90116.8N794N794-K796 PolarHBondContact O-N 3.2Å
797L28.3Very low28.8Very low137 Ų137153 Ų15372%0.71779%0.787SS**  trans-124.554.8177.3-128113.4000112.7
798V28.6Very low29Very low113 Ų113149.6 Ų149.669%0.68578%0.775SS**  trans-104.6-11.1-179.9175.10000114.6
799N30.9Very low28.9Very low155 Ų155149.3 Ų149.383%0.82977%0.773SS**SBendtrans-115.919.1-169.3-70.5-2.8000117.2
800S32Very low29.1Very low83 Ų83147.7 Ų147.758%0.5876%0.764SS**SBendtrans-124.4-21.217469.40000116.7
801E32.7Very low29Very low156 Ų156149.4 Ų149.473%0.72977%0.766SS**SBendtrans-95-10.2-178.4-69.8-168.7156.400114.8N803E801-N803 VanDerWaalsContact C-N 3.27Å; E801-N803 PolarHBondContact O-N 3.49Å
802L30.7Very low28.9Very low151 Ų151147.8 Ų147.879%0.79176%0.763SS**THydrogen-bonded Turntrans-72.1-17.5178.1-153.672.4000113.7
803N30.7Very low28.7Very low142 Ų142143.5 Ų143.576%0.75976%0.757SS**THydrogen-bonded Turntrans-92.9-9.1-177.9-75.3-11.6000114.9E801E801-N803 VanDerWaalsContact C-N 3.27Å; E801-N803 PolarHBondContact O-N 3.49Å
804N32.1Very low28.5Very low144 Ų144144 Ų14477%0.7776%0.758SS**SBendtrans-106.92.3179.6-81.4-19.9000114.4
805L28.9Very low28.2Very low144 Ų144142.6 Ų142.675%0.75475%0.754SS**THydrogen-bonded Turntrans-9925.6179.3-142.580.1000114.4
806Q29Very low27.8Very low179 Ų179141.3 Ų141.384%0.83675%0.753SS**THydrogen-bonded Turntrans-96.5-6.6172-97.3-176-13.500115
807N29.6Very low27.4Very low162 Ų162137 Ų13787%0.86674%0.743SS**SBendtrans-124.422.8-171.4-82.1-16.7000117.1
808S27.4Very low27.2Very low78 Ų78139 Ų13955%0.54575%0.749SS.*  trans-131.559.8169.8630000113.4I810S808-I810 PolarHBondContact O-N 2.86Å
809T26.6Very low27Very low126 Ų126136.5 Ų136.577%0.77374%0.736SS**  trans-70.671.3158.524.80000109.5K811T809-K811 PolarHBondContact O-N 3Å
810I27.4Very low27Very low128 Ų128136.3 Ų136.366%0.65674%0.735SS**  trans-73.188167.3-60.5177000106.7S808 N812S808-I810 PolarHBondContact O-N 2.86Å; I810-N812 VanDerWaalsContact C-N 3.3Å; I810-N812 VanDerWaalsContact CG2-OD1 3.3Å; I810-N812 WeakPolarHBondContact CG2-OD1 3.44Å; I810-N812 PolarHBondContact O-N 2.95Å
811K23.2Very low27.2Very low186 Ų186138.5 Ų138.581%0.80973%0.734SS**  trans-67.484.2172.2-71.8-179.9177.5178.50109.6T809 S813T809-K811 PolarHBondContact O-N 3Å; K811-S813 VanDerWaalsContact C-N 3.33Å; K811-S813 PolarHBondContact O-N 3.06Å; K811-S813 VanDerWaalsContact O-N 3.12Å
812N24.2Very low27.4Very low140 Ų140136.4 Ų136.475%0.74973%0.734SS**  trans-82.879.2169.5-74.4-13.8000109.8I810I810-N812 VanDerWaalsContact C-N 3.3Å; I810-N812 VanDerWaalsContact CG2-OD1 3.3Å; I810-N812 WeakPolarHBondContact CG2-OD1 3.44Å; I810-N812 PolarHBondContact O-N 2.95Å
813S23.2Very low27.6Very low98 Ų98136.2 Ų136.269%0.68573%0.733SS**  trans-86.5114.1167.460.40000109.4K811K811-S813 VanDerWaalsContact C-N 3.33Å; K811-S813 PolarHBondContact O-N 3.06Å; K811-S813 VanDerWaalsContact O-N 3.12Å
814I23.3Very low28Very low157 Ų157135.1 Ų135.181%0.80572%0.723SS**  trans-90.1110.7173.6-61.6172.7000107.9
815V22.3Very low28.5Very low114 Ų114132.2 Ų132.269%0.69171%0.708SS**  trans-87.4115.4174.1178.80000108.2V817V815-V817 HydrophobicContact CG1-CG2 3.99Å; V815-V817 PolarHBondContact O-N 3.24Å; V815-V817 VanDerWaalsContact O-N 3.16Å
816L21.9Very low28.9Very low172 Ų172130.2 Ų130.290%0.90170%0.697SS**  trans-72.699.8171.4-93.1138.1000109.2
817V22Very low29.3Very low112 Ų112125.2 Ų125.268%0.67968%0.682SS**  trans-94.6111.4169.4-1780000107.9V815 S819V815-V817 HydrophobicContact CG1-CG2 3.99Å; V815-V817 PolarHBondContact O-N 3.24Å; V815-V817 VanDerWaalsContact O-N 3.16Å; V817-S819 PolarHBondContact O-N 3.21Å
818H24.5Very low29.9Very low180 Ų180123.6 Ų123.683%0.83367%0.669SS**  trans-68112.7173-137.4-56.4000108.2
819S24.9Very low30.6Very low59 Ų59128.4 Ų128.441%0.41368%0.675SS.*  trans-116.6125.5176.3175.90000109.9V817 K821V817-S819 PolarHBondContact O-N 3.21Å; S819-K821 PolarHBondContact O-N 2.85Å
820D31.4Very low31.2Very low151 Ų151126.8 Ų126.881%0.80766%0.661SS**SBendtrans-76.422.9-177.1-63.1-32.3000113.7
821K34.4Very low31.9Very low130 Ų130123.8 Ų123.857%0.56565%0.651SS**  trans-126.495.7179-69.6-174.7-178.5178.10110.7S819 L823 E824S819-K821 PolarHBondContact O-N 2.85Å; K821-L823 PolarHBondContact O-N 3.33Å; K821-L823 VanDerWaalsContact O-N 3.12Å; K821-E824 WeakPolarHBondContact CB-OE2 3.45Å; K821-E824 WeakPolarHBondContact CD-OE2 3.29Å; K821-E824 PolarHBondContact O-N 3.32Å
822P37.6Very low32.9Very low111 Ų111118.2 Ų118.272%0.72164%0.635SS**Hα-helixtrans-66.7-18.3-16924.6-34.3000114.7L826P822-L826 PolarHBondContact O-N 3.06Å
823L35.4Very low33.6Very low147 Ų147117.7 Ų117.777%0.7763%0.631SS**Hα-helixtrans-77.7-38.2-177.3-158.475.9000112.5K821 D825 S827K821-L823 PolarHBondContact O-N 3.33Å; K821-L823 VanDerWaalsContact O-N 3.12Å; L823-D825 VanDerWaalsContact C-N 3.26Å; L823-D825 PolarHBondContact O-N 3.19Å; L823-S827 PolarHBondContact O-N 3.12Å
824E39.4Very low34.3Very low120 Ų120119 Ų11956%0.56163%0.629SS**Hα-helixtrans-68.1-32.7174.9-78.1148.2173.500110.5K821 S827 H828K821-E824 WeakPolarHBondContact CB-OE2 3.45Å; K821-E824 WeakPolarHBondContact CD-OE2 3.29Å; K821-E824 PolarHBondContact O-N 3.32Å; E824-S827 PolarHBondContact O-N 3.32Å; E824-H828 WeakPolarHBondContact O-CB 3.49Å; E824-H828 PolarHBondContact O-N 2.99Å
825D41Very low35.3Very low83 Ų83115.3 Ų115.344%0.44462%0.623SS.*Hα-helixtrans-66.9-36.8179-149.933.9000112.8L823 H828 R829L823-D825 VanDerWaalsContact C-N 3.26Å; L823-D825 PolarHBondContact O-N 3.19Å; D825-H828 PolarHBondContact O-N 2.89Å; D825-R829 VanDerWaalsContact O-CB 3.3Å; D825-R829 WeakPolarHBondContact O-CB 3.21Å; D825-R829 WeakPolarHBondContact O-CG 3.29Å; D825-R829 PolarHBondContact O-N 3.25Å
826L38.4Very low36.3Very low101 Ų101113.7 Ų113.753%0.52962%0.616SS.*Hα-helixtrans-68.9-43.3175.3-17169.4000111.8P822 H828 R829 I830P822-L826 PolarHBondContact O-N 3.06Å; L826-H828 VanDerWaalsContact C-N 3.29Å; L826-H828 PolarHBondContact O-N 3.48Å; L826-R829 PolarHBondContact O-N 3.41Å; L826-I830 HydrophobicContact CG-CD1 4.05Å; L826-I830 VanDerWaalsContact O-CG1 3.28Å; L826-I830 WeakPolarHBondContact O-CG1 3.36Å; L826-I830 PolarHBondContact O-N 2.99Å
827S37.4Very low36.8Very low74 Ų74108.6 Ų108.652%0.51760%0.595SS.*Hα-helixtrans-61.8-40.6176.4-175.60000111.3L823 E824 S831L823-S827 PolarHBondContact O-N 3.12Å; E824-S827 PolarHBondContact O-N 3.32Å; S827-S831 WeakPolarHBondContact O-CB 3.44Å; S827-S831 PolarHBondContact O-N 2.58Å; S827-S831 PolarHBondContact O-OG 3.48Å
828H41.6Very low37.9Very low128 Ų128108 Ų10859%0.59359%0.593SS**Hα-helixtrans-71.1-40.1178.8-137.8-60.3000111.7E824 D825 L826 S831 C832E824-H828 WeakPolarHBondContact O-CB 3.49Å; E824-H828 PolarHBondContact O-N 2.99Å; D825-H828 PolarHBondContact O-N 2.89Å; L826-H828 VanDerWaalsContact C-N 3.29Å; L826-H828 PolarHBondContact O-N 3.48Å; H828-S831 PolarHBondContact O-N 3.05Å; H828-C832 WeakPolarHBondContact O-CB 3.41Å; H828-C832 PolarHBondContact O-N 3.4Å; H828-C832 PolarHBondContact O-SG 2.9Å
829R42.2Very low38.5Very low179 Ų179105.7 Ų105.768%0.67559%0.587SS**Hα-helixtrans-60.4-43.8173-84.2179.2128.8-165.90.4112.2D825 L826 C832 L833D825-R829 VanDerWaalsContact O-CB 3.3Å; D825-R829 WeakPolarHBondContact O-CB 3.21Å; D825-R829 WeakPolarHBondContact O-CG 3.29Å; D825-R829 PolarHBondContact O-N 3.25Å; L826-R829 PolarHBondContact O-N 3.41Å; R829-C832 PolarHBondContact O-N 3.01Å; R829-L833 WeakPolarHBondContact O-CB 3.46Å; R829-L833 PolarHBondContact O-N 2.96Å
830I39.6Very low39Very low92 Ų92109.2 Ų109.247%0.47260%0.601SS.*Hα-helixtrans-65.3-44.3177.1-67.2168000110.3L826 C832 L833 I834L826-I830 HydrophobicContact CG-CD1 4.05Å; L826-I830 VanDerWaalsContact O-CG1 3.28Å; L826-I830 WeakPolarHBondContact O-CG1 3.36Å; L826-I830 PolarHBondContact O-N 2.99Å; I830-C832 VanDerWaalsContact C-N 3.34Å; I830-C832 PolarHBondContact O-N 2.84Å; I830-L833 PolarHBondContact O-N 3.26Å; I830-I834 HydrophobicContact CG2-CD1 3.84Å; I830-I834 HydrophobicContact CG2-CG1 4.48Å; I830-I834 WeakPolarHBondContact O-CG1 3.21Å; I830-I834 PolarHBondContact O-N 3.12Å
831S41.6Very low39.4Very low66 Ų66110.7 Ų110.746%0.46260%0.603SS.*Hα-helixtrans-62.2-41.1178-59.60000112S827 H828 A835S827-S831 WeakPolarHBondContact O-CB 3.44Å; S827-S831 PolarHBondContact O-N 2.58Å; S827-S831 PolarHBondContact O-OG 3.48Å; H828-S831 PolarHBondContact O-N 3.05Å; S831-A835 WeakPolarHBondContact O-CB 3.42Å; S831-A835 PolarHBondContact O-N 2.91Å
832C44Very low39.5Very low68 Ų68110.5 Ų110.546%0.45961%0.608SS.*Hα-helixtrans-67.7-38.1174.4-720000112.2H828 R829 I830 A835 S836H828-C832 WeakPolarHBondContact O-CB 3.41Å; H828-C832 PolarHBondContact O-N 3.4Å; H828-C832 PolarHBondContact O-SG 2.9Å; R829-C832 PolarHBondContact O-N 3.01Å; I830-C832 VanDerWaalsContact C-N 3.34Å; I830-C832 PolarHBondContact O-N 2.84Å; C832-A835 PolarHBondContact O-N 2.78Å; C832-S836 VanDerWaalsContact O-CB 3.26Å; C832-S836 WeakPolarHBondContact O-CB 3.37Å; C832-S836 PolarHBondContact O-N 3Å; C832-S836 PolarHBondContact O-OG 2.98Å
833L39.4Very low39.4Very low129 Ų129108.3 Ų108.368%0.67559%0.589SS**Hα-helixtrans-61.7-46.1177.1-14597.3000110.6R829 I830 S836 S837R829-L833 WeakPolarHBondContact O-CB 3.46Å; R829-L833 PolarHBondContact O-N 2.96Å; I830-L833 PolarHBondContact O-N 3.26Å; L833-S836 PolarHBondContact O-N 2.94Å; L833-S836 PolarHBondContact O-OG 2.97Å; L833-S837 PolarHBondContact O-N 2.99Å
834I37.6Very low40Very low125 Ų125110.3 Ų110.364%0.64159%0.592SS**Hα-helixtrans-63.2-42.2177.1-65167.5000110.5I830 S836I830-I834 HydrophobicContact CG2-CD1 3.84Å; I830-I834 HydrophobicContact CG2-CG1 4.48Å; I830-I834 WeakPolarHBondContact O-CG1 3.21Å; I830-I834 PolarHBondContact O-N 3.12Å; I834-S836 VanDerWaalsContact C-N 3.32Å; I834-S836 PolarHBondContact O-N 3.2Å
835A44.3Very low40Very low81 Ų81109.3 Ų109.367%0.66959%0.59SS**Hα-helixtrans-68.8-28.3177.500000113.5S831 C832S831-A835 WeakPolarHBondContact O-CB 3.42Å; S831-A835 PolarHBondContact O-N 2.91Å; C832-A835 PolarHBondContact O-N 2.78Å
836S42.7Very low40.4Very low80 Ų80109.8 Ų109.856%0.55960%0.598SS**Hα-helixtrans-83.2-8.8-176.568.90000115.1C832 L833 I834 P838C832-S836 VanDerWaalsContact O-CB 3.26Å; C832-S836 WeakPolarHBondContact O-CB 3.37Å; C832-S836 PolarHBondContact O-N 3Å; C832-S836 PolarHBondContact O-OG 2.98Å; L833-S836 PolarHBondContact O-N 2.94Å; L833-S836 PolarHBondContact O-OG 2.97Å; I834-S836 VanDerWaalsContact C-N 3.32Å; I834-S836 PolarHBondContact O-N 3.2Å; S836-P838 VanDerWaalsContact C-CD 3.44Å; S836-P838 WeakPolarHBondContact O-CD 3.41Å
837S34Very low41Very low65 Ų65111.2 Ų111.246%0.45561%0.606SS.*  trans-119.676.6172.4-84.40000111.9L833 N839 L840L833-S837 PolarHBondContact O-N 2.99Å; S837-N839 PolarHBondContact O-N 3.13Å; S837-L840 PolarHBondContact O-N 3.2Å
838P43.7Very low41.6Very low99 Ų99113 Ų11364%0.64361%0.606SS**G310 helixtrans-62.6-19.6171.124.2-31.1000112.8S836 L840 H841S836-P838 VanDerWaalsContact C-CD 3.44Å; S836-P838 WeakPolarHBondContact O-CD 3.41Å; P838-L840 PolarHBondContact O-N 2.87Å; P838-H841 PolarHBondContact O-N 3.03Å
839N38.3Very low42.1Very low131 Ų131110 Ų11070%0.70160%0.597SS**G310 helixtrans-75.8-0.2176.4-76.6-11.7000114.8S837S837-N839 PolarHBondContact O-N 3.13Å
840L35.3Very low42.6Very low134 Ų134106 Ų10670%0.70259%0.589SS**G310 helixtrans-76.2-14.9168-13193.6000112.5S837 P838S837-L840 PolarHBondContact O-N 3.2Å; P838-L840 PolarHBondContact O-N 2.87Å
841H40.1Very low43.5Very low182 Ų182108.8 Ų108.884%0.84359%0.594SS**SBendtrans-88.7-9.5178.7-103.9-47.5000114.7P838P838-H841 PolarHBondContact O-N 3.03Å
842D35.8Very low44.5Very low126 Ų126110.4 Ų110.467%0.67460%0.597SS**  trans-11216.2-175.5-113.1-15.2000114.5K844D842-K844 VanDerWaalsContact C-N 3.26Å; D842-K844 PolarHBondContact O-N 3.34Å
843I36.5Very low45.7Very low64 Ų64111.2 Ų111.233%0.32860%0.6SS.*  trans-75.886.5167.4-55.4177.3000107.7N845 E848 V849I843-N845 PolarHBondContact O-N 3.22Å; I843-E848 HydrophobicContact CG2-CB 4.17Å; I843-V849 HydrophobicContact CB-CG2 4.37Å; I843-V849 HydrophobicContact CG2-CG2 4.27Å
844K46.7Very low47.1Very low190 Ų190113.3 Ų113.383%0.82660%0.599SS**  trans-62.74.9176.6-103.5178.6-179.9173.50115.1D842 P846D842-K844 VanDerWaalsContact C-N 3.26Å; D842-K844 PolarHBondContact O-N 3.34Å; K844-P846 WeakPolarHBondContact O-CD 3.46Å
845N40.3Very low48.7Very low98 Ų98112.3 Ų112.352%0.52459%0.591SS.*  trans-110101171.6-90.5-24000110.1I843 D847 E848I843-N845 PolarHBondContact O-N 3.22Å; N845-D847 PolarHBondContact O-N 3.48Å; N845-D847 VanDerWaalsContact O-N 3.11Å; N845-E848 HydrophobicContact CB-CB 4.3Å; N845-E848 PolarHBondContact O-N 3.05Å; N845-E848 VanDerWaalsContact O-N 3.09Å
846P49.5Very low50Low94 Ų94114.8 Ų114.861%0.6159%0.593SS**Hα-helixtrans-56.9-24.6173.222-31.4000112.5K844 E848 D850K844-P846 WeakPolarHBondContact O-CD 3.46Å; P846-E848 VanDerWaalsContact C-N 3.29Å; P846-E848 PolarHBondContact O-N 3.39Å; P846-D850 PolarHBondContact O-N 3.03Å
847D49.8Very low51.6Low130 Ų130115.5 Ų115.570%0.69559%0.59SS**Hα-helixtrans-67.8-25.2178.5-60.4-16.7000113.5N845 Y851N845-D847 PolarHBondContact O-N 3.48Å; N845-D847 VanDerWaalsContact O-N 3.11Å; D847-Y851 PolarHBondContact O-N 3.16Å
848E50.1Low53.8Low111 Ų111114.2 Ų114.252%0.51959%0.586SS.*Hα-helixtrans-86.3-31.6-175.5-157.3170.1-158.100112.3I843 N845 P846 Y851 I852I843-E848 HydrophobicContact CG2-CB 4.17Å; N845-E848 HydrophobicContact CB-CB 4.3Å; N845-E848 PolarHBondContact O-N 3.05Å; N845-E848 VanDerWaalsContact O-N 3.09Å; P846-E848 VanDerWaalsContact C-N 3.29Å; P846-E848 PolarHBondContact O-N 3.39Å; E848-Y851 PolarHBondContact O-N 2.98Å; E848-I852 PolarHBondContact O-N 3.14Å
849V51.9Low55.5Low66 Ų66113.9 Ų113.940%0.458%0.582SS.*Hα-helixtrans-69.7-36.2174.2-178.60000110.9I843 Y851 T853I843-V849 HydrophobicContact CB-CG2 4.37Å; I843-V849 HydrophobicContact CG2-CG2 4.27Å; V849-Y851 VanDerWaalsContact C-N 3.34Å; V849-T853 WeakPolarHBondContact O-CB 3.37Å; V849-T853 PolarHBondContact O-N 3.49Å; V849-T853 VanDerWaalsContact O-N 3.1Å; V849-T853 PolarHBondContact O-OG1 3.14Å
850D53.6Low57.3Low96 Ų96114.1 Ų114.151%0.51358%0.577SS.*Hα-helixtrans-61.5-44.3172.9-90.8-10.4000110.6P846 I852 T853 W854P846-D850 PolarHBondContact O-N 3.03Å; D850-I852 PolarHBondContact O-N 3Å; D850-T853 PolarHBondContact O-N 3.47Å; D850-W854 VanDerWaalsContact O-CB 3.31Å; D850-W854 WeakPolarHBondContact O-CB 3.47Å; D850-W854 PolarHBondContact O-N 2.68Å
851Y58.3Low59.5Low149 Ų149110 Ų11058%0.58456%0.563SS**Hα-helixtrans-62.9-43.2-177.8-171.5-103.7000113.5D847 E848 V849 Q855D847-Y851 PolarHBondContact O-N 3.16Å; E848-Y851 PolarHBondContact O-N 2.98Å; V849-Y851 VanDerWaalsContact C-N 3.34Å; Y851-Q855 HydrophobicContact CD1-CG 4.45Å; Y851-Q855 HydrophobicContact CE1-CG 4.1Å; Y851-Q855 VanDerWaalsContact CZ-NE2 3.28Å; Y851-Q855 WeakPolarHBondContact O-CG 3.48Å; Y851-Q855 PolarHBondContact O-N 2.86Å; Y851-Q855 PolarHBondContact OH-NE2 3.06Å
852I62.4Low61.5Low101 Ų101108.3 Ų108.352%0.51855%0.553SS.*Hα-helixtrans-68.5-41.8179-63.1172000110.6E848 D850 Q855 L856E848-I852 PolarHBondContact O-N 3.14Å; D850-I852 PolarHBondContact O-N 3Å; I852-Q855 PolarHBondContact O-N 2.92Å; I852-L856 PolarHBondContact O-N 2.83Å
853T68.6Low63.6Low84 Ų84105.8 Ų105.852%0.51554%0.543SS..Hα-helixtrans-65.6-41.1179.1-50.60000110.8V849 D850 L856 L857V849-T853 WeakPolarHBondContact O-CB 3.37Å; V849-T853 PolarHBondContact O-N 3.49Å; V849-T853 VanDerWaalsContact O-N 3.1Å; V849-T853 PolarHBondContact O-OG1 3.14Å; D850-T853 PolarHBondContact O-N 3.47Å; T853-L856 PolarHBondContact O-N 3.12Å; T853-L857 VanDerWaalsContact O-CB 3.25Å; T853-L857 WeakPolarHBondContact O-CB 3.46Å; T853-L857 PolarHBondContact O-N 3.29Å
854W68.9Low65.8Low174 Ų174108 Ų10866%0.65955%0.55SS*.Hα-helixtrans-66.6-35.5173.7-82.4107.9000113D850 L857 G858D850-W854 VanDerWaalsContact O-CB 3.31Å; D850-W854 WeakPolarHBondContact O-CB 3.47Å; D850-W854 PolarHBondContact O-N 2.68Å; W854-L857 HydrophobicContact CE3-CD2 4.28Å; W854-L857 HydrophobicContact CZ3-CD2 4.22Å; W854-G858 WeakPolarHBondContact O-CA 3.39Å; W854-G858 PolarHBondContact O-N 2.98Å
855Q71.2Confident67.6Low103 Ų103102.6 Ų102.648%0.48153%0.533SS..Hα-helixtrans-65.9-45.5172.6-83.3-162.8-6.900111.9Y851 I852 G858 V859Y851-Q855 HydrophobicContact CD1-CG 4.45Å; Y851-Q855 HydrophobicContact CE1-CG 4.1Å; Y851-Q855 VanDerWaalsContact CZ-NE2 3.28Å; Y851-Q855 WeakPolarHBondContact O-CG 3.48Å; Y851-Q855 PolarHBondContact O-N 2.86Å; Y851-Q855 PolarHBondContact OH-NE2 3.06Å; I852-Q855 PolarHBondContact O-N 2.92Å; Q855-G858 PolarHBondContact O-N 3.03Å; Q855-V859 WeakPolarHBondContact O-CG2 3.36Å; Q855-V859 PolarHBondContact O-N 2.89Å
856L72.1Confident69.6Low133 Ų133101.1 Ų101.170%0.69653%0.527SS*.Hα-helixtrans-65.4-42.2179.3-156.680.5000111I852 T853 G858 V859 F860I852-L856 PolarHBondContact O-N 2.83Å; T853-L856 PolarHBondContact O-N 3.12Å; L856-G858 VanDerWaalsContact C-N 3.31Å; L856-G858 PolarHBondContact O-N 2.74Å; L856-V859 PolarHBondContact O-N 2.99Å; L856-F860 WeakPolarHBondContact O-CB 3.14Å; L856-F860 PolarHBondContact O-N 3.32Å
857L77Confident71.3Confident96 Ų96101.3 Ų101.350%0.50352%0.523SS..Hα-helixtrans-64.4-36.7173.8-171.265.4000111.5T853 W854 F860 A861T853-L857 VanDerWaalsContact O-CB 3.25Å; T853-L857 WeakPolarHBondContact O-CB 3.46Å; T853-L857 PolarHBondContact O-N 3.29Å; W854-L857 HydrophobicContact CE3-CD2 4.28Å; W854-L857 HydrophobicContact CZ3-CD2 4.22Å; L857-F860 PolarHBondContact O-N 3.15Å; L857-A861 VanDerWaalsContact O-CB 3.26Å; L857-A861 WeakPolarHBondContact O-CB 3.42Å; L857-A861 PolarHBondContact O-N 2.95Å
858G80.1Confident73.1Confident37 Ų3799 Ų9938%0.38151%0.509SS..Hα-helixtrans-66-43.6174.800000112.8W854 Q855 L856 A861 F862W854-G858 WeakPolarHBondContact O-CA 3.39Å; W854-G858 PolarHBondContact O-N 2.98Å; Q855-G858 PolarHBondContact O-N 3.03Å; L856-G858 VanDerWaalsContact C-N 3.31Å; L856-G858 PolarHBondContact O-N 2.74Å; G858-A861 PolarHBondContact O-N 3Å; G858-F862 VanDerWaalsContact O-CB 3.27Å; G858-F862 WeakPolarHBondContact O-CB 3.43Å; G858-F862 PolarHBondContact O-N 2.84Å
859V78.5Confident74.6Confident92 Ų9298.4 Ų98.456%0.55851%0.508SS*.Hα-helixtrans-65.5-40.7174.3173.80000110.4Q855 L856 F862 T863Q855-V859 WeakPolarHBondContact O-CG2 3.36Å; Q855-V859 PolarHBondContact O-N 2.89Å; L856-V859 PolarHBondContact O-N 2.99Å; V859-F862 PolarHBondContact O-N 3.1Å; V859-T863 HydrophobicContact CG1-CG2 4.37Å; V859-T863 WeakPolarHBondContact O-CB 3.38Å; V859-T863 VanDerWaalsContact O-CG2 3.29Å; V859-T863 WeakPolarHBondContact O-CG2 3.37Å; V859-T863 PolarHBondContact O-N 3.06Å; V859-T863 PolarHBondContact O-OG1 2.94Å
860F77Confident75.8Confident136 Ų13698.5 Ų98.560%0.59651%0.512SS*.Hα-helixtrans-64.1-45.5175.2-173.2-98.3000111.8L856 L857 F862 T863 F864L856-F860 WeakPolarHBondContact O-CB 3.14Å; L856-F860 PolarHBondContact O-N 3.32Å; L857-F860 PolarHBondContact O-N 3.15Å; F860-F862 PolarHBondContact O-N 3.13Å; F860-T863 WeakPolarHBondContact CA-OG1 3.48Å; F860-T863 PolarHBondContact O-N 3.5Å; F860-T863 PolarHBondContact O-OG1 3.29Å; F860-F864 VanDerWaalsContact O-CB 3.25Å; F860-F864 WeakPolarHBondContact O-CB 3.43Å; F860-F864 PolarHBondContact O-N 2.91Å
861A80.8Confident77.1Confident48 Ų4897 Ų9740%0.39750%0.503SS..Hα-helixtrans-63.1-42.1175.500000111.7L857 G858 F864 V865L857-A861 VanDerWaalsContact O-CB 3.26Å; L857-A861 WeakPolarHBondContact O-CB 3.42Å; L857-A861 PolarHBondContact O-N 2.95Å; G858-A861 PolarHBondContact O-N 3Å; A861-F864 PolarHBondContact O-N 3.09Å; A861-V865 WeakPolarHBondContact O-CB 3.45Å; A861-V865 VanDerWaalsContact O-CG2 3.25Å; A861-V865 WeakPolarHBondContact O-CG2 3.43Å; A861-V865 PolarHBondContact O-N 3.04Å
862F81.7Confident78Confident146 Ų14693.7 Ų93.764%0.6450%0.499SS*.Hα-helixtrans-66.3-43.3178.4-175.4-96.2000112.2G858 V859 F860 V865 T866G858-F862 VanDerWaalsContact O-CB 3.27Å; G858-F862 WeakPolarHBondContact O-CB 3.43Å; G858-F862 PolarHBondContact O-N 2.84Å; V859-F862 PolarHBondContact O-N 3.1Å; F860-F862 PolarHBondContact O-N 3.13Å; F862-V865 PolarHBondContact O-N 3.3Å; F862-T866 WeakPolarHBondContact O-CB 3.36Å; F862-T866 PolarHBondContact O-N 3.31Å; F862-T866 PolarHBondContact O-OG1 2.97Å
863T80Confident78.6Confident73 Ų7392.8 Ų92.845%0.44850%0.498SS..Hα-helixtrans-66.1-39.8175.750.60000111.4V859 F860 T866 L867V859-T863 HydrophobicContact CG1-CG2 4.37Å; V859-T863 WeakPolarHBondContact O-CB 3.38Å; V859-T863 VanDerWaalsContact O-CG2 3.29Å; V859-T863 WeakPolarHBondContact O-CG2 3.37Å; V859-T863 PolarHBondContact O-N 3.06Å; V859-T863 PolarHBondContact O-OG1 2.94Å; F860-T863 WeakPolarHBondContact CA-OG1 3.48Å; F860-T863 PolarHBondContact O-N 3.5Å; F860-T863 PolarHBondContact O-OG1 3.29Å; T863-T866 PolarHBondContact O-N 3.3Å; T863-L867 VanDerWaalsContact O-CB 3.32Å; T863-L867 WeakPolarHBondContact O-CB 3.47Å; T863-L867 PolarHBondContact O-N 3.33Å
864F83.3Confident78.7Confident110 Ų11089.9 Ų89.948%0.48248%0.482SS..Hα-helixtrans-63-45.9174-174.4-99000112.1F860 A861 T866 L867 M868F860-F864 VanDerWaalsContact O-CB 3.25Å; F860-F864 WeakPolarHBondContact O-CB 3.43Å; F860-F864 PolarHBondContact O-N 2.91Å; A861-F864 PolarHBondContact O-N 3.09Å; F864-T866 VanDerWaalsContact C-N 3.35Å; F864-T866 PolarHBondContact O-N 3.25Å; F864-L867 PolarHBondContact O-N 2.97Å; F864-M868 HydrophobicContact CD1-CG 4.06Å; F864-M868 HydrophobicContact CE1-CG 3.7Å; F864-M868 HydrophobicContact CE1-SD 4.4Å; F864-M868 HydrophobicContact CE2-CG 4.48Å; F864-M868 HydrophobicContact CZ-CG 3.94Å; F864-M868 HydrophobicContact CZ-SD 4.08Å; F864-M868 WeakPolarHBondContact O-CB 3.37Å; F864-M868 VanDerWaalsContact O-CG 3.29Å; F864-M868 WeakPolarHBondContact O-CG 3.13Å; F864-M868 PolarHBondContact O-N 2.88Å
865V84.9Confident78.8Confident78 Ų7886.2 Ų86.247%0.47347%0.471SS..Hα-helixtrans-62.8-42.4175.3169.80000111A861 F862 L867 M868 I869A861-V865 WeakPolarHBondContact O-CB 3.45Å; A861-V865 VanDerWaalsContact O-CG2 3.25Å; A861-V865 WeakPolarHBondContact O-CG2 3.43Å; A861-V865 PolarHBondContact O-N 3.04Å; F862-V865 PolarHBondContact O-N 3.3Å; V865-L867 VanDerWaalsContact C-N 3.31Å; V865-L867 PolarHBondContact O-N 3.2Å; V865-M868 PolarHBondContact O-N 3.02Å; V865-I869 HydrophobicContact CG1-CD1 3.74Å; V865-I869 HydrophobicContact CG1-CG1 4.34Å; V865-I869 WeakPolarHBondContact O-CB 3.29Å; V865-I869 VanDerWaalsContact O-CG1 3.26Å; V865-I869 WeakPolarHBondContact O-CG1 3.43Å; V865-I869 PolarHBondContact O-N 3.11Å
866T82.5Confident78.8Confident66 Ų6685.4 Ų85.441%0.40547%0.473SS..Hα-helixtrans-63-39.6177.4-53.70000111.3F862 T863 F864 I869 S870F862-T866 WeakPolarHBondContact O-CB 3.36Å; F862-T866 PolarHBondContact O-N 3.31Å; F862-T866 PolarHBondContact O-OG1 2.97Å; T863-T866 PolarHBondContact O-N 3.3Å; F864-T866 VanDerWaalsContact C-N 3.35Å; F864-T866 PolarHBondContact O-N 3.25Å; T866-I869 PolarHBondContact O-N 3.19Å; T866-S870 WeakPolarHBondContact O-CB 3.43Å; T866-S870 PolarHBondContact O-N 3.2Å; T866-S870 PolarHBondContact O-OG 3.16Å
867L85Confident78.4Confident98 Ų9882.5 Ų82.551%0.51346%0.463SS..Hα-helixtrans-67.8-40174.8-174.3138.8000111.8T863 F864 V865 S870 L871T863-L867 VanDerWaalsContact O-CB 3.32Å; T863-L867 WeakPolarHBondContact O-CB 3.47Å; T863-L867 PolarHBondContact O-N 3.33Å; F864-L867 PolarHBondContact O-N 2.97Å; V865-L867 VanDerWaalsContact C-N 3.31Å; V865-L867 PolarHBondContact O-N 3.2Å; L867-S870 WeakPolarHBondContact CA-OG 3.29Å; L867-S870 PolarHBondContact O-N 3.49Å; L867-S870 PolarHBondContact O-OG 3.24Å; L867-L871 VanDerWaalsContact O-CB 3.27Å; L867-L871 WeakPolarHBondContact O-CB 3.49Å; L867-L871 PolarHBondContact O-N 3.45Å
868M86.8Confident77.6Confident83 Ų8379.3 Ų79.341%0.40945%0.447SS..Hα-helixtrans-66.4-38.5175.1-71.8-60.8-68.400111.9F864 V865 T872F864-M868 HydrophobicContact CD1-CG 4.06Å; F864-M868 HydrophobicContact CE1-CG 3.7Å; F864-M868 HydrophobicContact CE1-SD 4.4Å; F864-M868 HydrophobicContact CE2-CG 4.48Å; F864-M868 HydrophobicContact CZ-CG 3.94Å; F864-M868 HydrophobicContact CZ-SD 4.08Å; F864-M868 WeakPolarHBondContact O-CB 3.37Å; F864-M868 VanDerWaalsContact O-CG 3.29Å; F864-M868 WeakPolarHBondContact O-CG 3.13Å; F864-M868 PolarHBondContact O-N 2.88Å; V865-M868 PolarHBondContact O-N 3.02Å; M868-T872 VanDerWaalsContact O-CB 3.29Å; M868-T872 WeakPolarHBondContact O-CB 3.31Å; M868-T872 PolarHBondContact O-N 3.2Å; M868-T872 PolarHBondContact O-OG1 3.03Å
869I82.5Confident76.6Confident98 Ų9884.2 Ų84.250%0.50346%0.459SS..Hα-helixtrans-65.3-45.9174-68.5165.5000110.1V865 T866 L871 T872 V873V865-I869 HydrophobicContact CG1-CD1 3.74Å; V865-I869 HydrophobicContact CG1-CG1 4.34Å; V865-I869 WeakPolarHBondContact O-CB 3.29Å; V865-I869 VanDerWaalsContact O-CG1 3.26Å; V865-I869 WeakPolarHBondContact O-CG1 3.43Å; V865-I869 PolarHBondContact O-N 3.11Å; T866-I869 PolarHBondContact O-N 3.19Å; I869-L871 VanDerWaalsContact C-N 3.34Å; I869-L871 PolarHBondContact O-N 3.28Å; I869-T872 PolarHBondContact O-N 3.02Å; I869-V873 HydrophobicContact CG2-CG2 4.34Å; I869-V873 VanDerWaalsContact O-CG2 3.3Å; I869-V873 WeakPolarHBondContact O-CG2 3.47Å; I869-V873 PolarHBondContact O-N 3.45Å
870S77.5Confident75.6Confident67 Ų6790.8 Ų90.847%0.46947%0.474SS..Hα-helixtrans-64.8-39.6179.372.80000111.7T866 L867 V873 A874T866-S870 WeakPolarHBondContact O-CB 3.43Å; T866-S870 PolarHBondContact O-N 3.2Å; T866-S870 PolarHBondContact O-OG 3.16Å; L867-S870 WeakPolarHBondContact CA-OG 3.29Å; L867-S870 PolarHBondContact O-N 3.49Å; L867-S870 PolarHBondContact O-OG 3.24Å; S870-V873 PolarHBondContact O-N 3.45Å; S870-A874 VanDerWaalsContact O-CB 3.28Å; S870-A874 WeakPolarHBondContact O-CB 3.36Å; S870-A874 PolarHBondContact O-N 2.99Å
871L79.4Confident74.7Confident65 Ų6591.7 Ų91.734%0.3448%0.48SS..Hα-helixtrans-66.3-39.1174.7-156.685.1000111.5L867 I869 A874 F875L867-L871 VanDerWaalsContact O-CB 3.27Å; L867-L871 WeakPolarHBondContact O-CB 3.49Å; L867-L871 PolarHBondContact O-N 3.45Å; I869-L871 VanDerWaalsContact C-N 3.34Å; I869-L871 PolarHBondContact O-N 3.28Å; L871-A874 PolarHBondContact O-N 2.92Å; L871-F875 WeakPolarHBondContact O-CB 3.12Å; L871-F875 PolarHBondContact O-N 3.03Å
872T78.7Confident73.5Confident79 Ų7992.9 Ų92.949%0.48550%0.497SS..Hα-helixtrans-65.2-48.3175.6-570000110.4M868 I869 A874 F875 T876M868-T872 VanDerWaalsContact O-CB 3.29Å; M868-T872 WeakPolarHBondContact O-CB 3.31Å; M868-T872 PolarHBondContact O-N 3.2Å; M868-T872 PolarHBondContact O-OG1 3.03Å; I869-T872 PolarHBondContact O-N 3.02Å; T872-A874 VanDerWaalsContact C-N 3.31Å; T872-A874 PolarHBondContact O-N 3.04Å; T872-F875 WeakPolarHBondContact O-CB 3.13Å; T872-F875 PolarHBondContact O-N 3.03Å; T872-F875 VanDerWaalsContact O-N 3.12Å; T872-T876 PolarHBondContact O-N 3.23Å; T872-T876 PolarHBondContact O-OG1 3.13Å
873V74.8Confident72.1Confident83 Ų8389.2 Ų89.250%0.50349%0.489SS..Hα-helixtrans-59.8-43.4176.4171.90000110.7I869 S870 F875 T876 C877I869-V873 HydrophobicContact CG2-CG2 4.34Å; I869-V873 VanDerWaalsContact O-CG2 3.3Å; I869-V873 WeakPolarHBondContact O-CG2 3.47Å; I869-V873 PolarHBondContact O-N 3.45Å; S870-V873 PolarHBondContact O-N 3.45Å; V873-F875 PolarHBondContact O-N 3.03Å; V873-T876 PolarHBondContact O-N 3.24Å; V873-C877 WeakPolarHBondContact O-CB 3.47Å; V873-C877 PolarHBondContact O-N 3Å; V873-C877 PolarHBondContact O-SG 3.02Å
874A70.6Confident71.3Confident22 Ų2291.5 Ų91.518%0.18250%0.498CS..Hα-helixtrans-59.9-45.5174.500000111.2S870 L871 T872 C877 L878 F888S870-A874 VanDerWaalsContact O-CB 3.28Å; S870-A874 WeakPolarHBondContact O-CB 3.36Å; S870-A874 PolarHBondContact O-N 2.99Å; L871-A874 PolarHBondContact O-N 2.92Å; T872-A874 VanDerWaalsContact C-N 3.31Å; T872-A874 PolarHBondContact O-N 3.04Å; A874-C877 PolarHBondContact O-N 2.9Å; A874-L878 HydrophobicContact CB-CD1 4.46Å; A874-L878 VanDerWaalsContact O-CB 3.31Å; A874-L878 WeakPolarHBondContact O-CB 3.49Å; A874-L878 WeakPolarHBondContact O-CD1 3.48Å; A874-L878 WeakPolarHBondContact O-CG 3.44Å; A874-L878 PolarHBondContact O-N 3.14Å; A874-F888 HydrophobicContact CB-CE1 4.02Å; A874-F888 HydrophobicContact CB-CZ 3.96Å
875F69.7Low69.9Low98 Ų9889.9 Ų89.943%0.4349%0.491SS..Hα-helixtrans-59.7-46.6175.9179.7-95.8000112L871 T872 V873 C877 L878 H879 F885L871-F875 WeakPolarHBondContact O-CB 3.12Å; L871-F875 PolarHBondContact O-N 3.03Å; T872-F875 WeakPolarHBondContact O-CB 3.13Å; T872-F875 PolarHBondContact O-N 3.03Å; T872-F875 VanDerWaalsContact O-N 3.12Å; V873-F875 PolarHBondContact O-N 3.03Å; F875-C877 VanDerWaalsContact C-N 3.32Å; F875-C877 PolarHBondContact O-N 3.01Å; F875-L878 PolarHBondContact O-N 2.9Å; F875-H879 AromaticContact CZ-CD2 3.89Å; F875-H879 VanDerWaalsContact O-CB 3.29Å; F875-H879 WeakPolarHBondContact O-CB 3.44Å; F875-H879 PolarHBondContact O-N 3.28Å; F875-F885 AromaticContact CD2-CD2 3.74Å; F875-F885 HydrophobicContact CD2-CD2 3.74Å; F875-F885 AromaticContact CD2-CE2 3.89Å; F875-F885 HydrophobicContact CD2-CE2 3.89Å; F875-F885 HydrophobicContact CE2-CD2 4.33Å
876T71.2Confident68.7Low86 Ų8691 Ų9153%0.52850%0.498SS..Hα-helixtrans-64.8-36.9177.9-18.30000111.9T872 V873 R880T872-T876 PolarHBondContact O-N 3.23Å; T872-T876 PolarHBondContact O-OG1 3.13Å; V873-T876 PolarHBondContact O-N 3.24Å; T876-R880 WeakPolarHBondContact O-CB 3.29Å; T876-R880 PolarHBondContact O-N 2.94Å
877C63.7Low67.7Low72 Ų7291.4 Ų91.449%0.48650%0.503SS..Hα-helixtrans-66.4-47.4174.9-74.30000111.6V873 A874 F875 R880 E881V873-C877 WeakPolarHBondContact O-CB 3.47Å; V873-C877 PolarHBondContact O-N 3Å; V873-C877 PolarHBondContact O-SG 3.02Å; A874-C877 PolarHBondContact O-N 2.9Å; F875-C877 VanDerWaalsContact C-N 3.32Å; F875-C877 PolarHBondContact O-N 3.01Å; C877-R880 PolarHBondContact O-N 3.13Å; C877-E881 PolarHBondContact O-N 3.12Å; C877-E881 VanDerWaalsContact O-N 3.14Å
878L60.5Low66.4Low29 Ų2989.9 Ų89.915%0.15249%0.493CS..Hα-helixtrans-67-40.1-179.4-79.9152.8000112.4A874 F875 R880 E881 G882 C883 F888A874-L878 HydrophobicContact CB-CD1 4.46Å; A874-L878 VanDerWaalsContact O-CB 3.31Å; A874-L878 WeakPolarHBondContact O-CB 3.49Å; A874-L878 WeakPolarHBondContact O-CD1 3.48Å; A874-L878 WeakPolarHBondContact O-CG 3.44Å; A874-L878 PolarHBondContact O-N 3.14Å; F875-L878 PolarHBondContact O-N 2.9Å; L878-R880 PolarHBondContact O-N 2.96Å; L878-E881 CarbonylContact O-C 3.48Å; L878-E881 PolarHBondContact O-N 3.05Å; L878-E881 VanDerWaalsContact O-N 3.14Å; L878-G882 PolarHBondContact O-N 3.47Å; L878-C883 HydrophobicContact CD2-CB 3.36Å; L878-C883 PolarHBondContact O-N 2.92Å; L878-C883 VanDerWaalsContact O-N 3.07Å; L878-F888 HydrophobicContact CD1-CB 3.63Å; L878-F888 HydrophobicContact CD1-CD1 3.81Å; L878-F888 HydrophobicContact CD1-CD2 3.67Å; L878-F888 HydrophobicContact CD1-CE1 4.38Å; L878-F888 HydrophobicContact CD1-CE2 4.26Å; L878-F888 HydrophobicContact CD1-CG 3.41Å; L878-F888 VanDerWaalsContact CD1-CG 3.41Å; L878-F888 HydrophobicContact CD2-CB 4.31Å
879H59.7Low65.2Low140 Ų14089.1 Ų89.165%0.64849%0.49SS*.Hα-helixtrans-68.2-26.8176.5-158.3-58.9000111.9F875F875-H879 AromaticContact CZ-CD2 3.89Å; F875-H879 VanDerWaalsContact O-CB 3.29Å; F875-H879 WeakPolarHBondContact O-CB 3.44Å; F875-H879 PolarHBondContact O-N 3.28Å
880R57.7Low64.3Low230 Ų23091.4 Ų91.487%0.86850%0.496SS*.Hα-helixtrans-76.6-26.1173.5-154.9176.2-173.8172.52.9112.5T876 C877 L878T876-R880 WeakPolarHBondContact O-CB 3.29Å; T876-R880 PolarHBondContact O-N 2.94Å; C877-R880 PolarHBondContact O-N 3.13Å; L878-R880 PolarHBondContact O-N 2.96Å
881E57.6Low63.4Low155 Ų15597.1 Ų97.172%0.72451%0.508SS*.Hα-helixtrans-98.32.7178.4-70.4-177.2170.300113.7C877 L878 C883C877-E881 PolarHBondContact O-N 3.12Å; C877-E881 VanDerWaalsContact O-N 3.14Å; L878-E881 CarbonylContact O-C 3.48Å; L878-E881 PolarHBondContact O-N 3.05Å; L878-E881 VanDerWaalsContact O-N 3.14Å; E881-C883 VanDerWaalsContact C-N 3.25Å; E881-C883 PolarHBondContact O-N 3.29Å
882G55.5Low62.4Low72 Ų7296.2 Ų96.274%0.74251%0.505SS*.THydrogen-bonded Turntrans68.621.7176.600000114.1L878L878-G882 PolarHBondContact O-N 3.47Å
883C53.4Low61.7Low70 Ų7097.2 Ų97.247%0.47351%0.507SS..  trans-90.8131.9-177.1-85.40000111.6L878 E881 F885L878-C883 HydrophobicContact CD2-CB 3.36Å; L878-C883 PolarHBondContact O-N 2.92Å; L878-C883 VanDerWaalsContact O-N 3.07Å; E881-C883 VanDerWaalsContact C-N 3.25Å; E881-C883 PolarHBondContact O-N 3.29Å; C883-F885 PolarHBondContact O-N 3.18Å
884D61.9Low61Low120 Ų12097.2 Ų97.264%0.64250%0.501SS*.  trans-67.6117.6-173.7-139.3-9.6000111.2V886 S887D884-V886 PolarHBondContact O-N 3.18Å; D884-V886 VanDerWaalsContact O-N 3.1Å; D884-S887 WeakPolarHBondContact O-CB 3.25Å; D884-S887 PolarHBondContact O-N 3.18Å
885F55.1Low60.4Low76 Ų76102.7 Ų102.733%0.33352%0.521SS..Hα-helixtrans-54.9-33.6-171.8178.1-109.1000113.4F875 C883 S887 F888 I889F875-F885 AromaticContact CD2-CD2 3.74Å; F875-F885 HydrophobicContact CD2-CD2 3.74Å; F875-F885 AromaticContact CD2-CE2 3.89Å; F875-F885 HydrophobicContact CD2-CE2 3.89Å; F875-F885 HydrophobicContact CE2-CD2 4.33Å; C883-F885 PolarHBondContact O-N 3.18Å; F885-S887 VanDerWaalsContact C-N 3.28Å; F885-S887 PolarHBondContact O-N 3.38Å; F885-F888 PolarHBondContact O-N 3.49Å; F885-I889 HydrophobicContact CD1-CD1 3.98Å; F885-I889 HydrophobicContact CD1-CG1 4.49Å; F885-I889 HydrophobicContact CE1-CD1 3.26Å; F885-I889 HydrophobicContact CE1-CG1 4.08Å; F885-I889 HydrophobicContact CE2-CD1 4.32Å; F885-I889 HydrophobicContact CE2-CG1 4.42Å; F885-I889 HydrophobicContact CZ-CD1 3.48Å; F885-I889 VanDerWaalsContact CZ-CD1 3.48Å; F885-I889 HydrophobicContact CZ-CG1 4.04Å; F885-I889 PolarHBondContact O-N 3.35Å; F885-I889 VanDerWaalsContact O-N 3.1Å
886V59.9Low59.6Low103 Ų103104.8 Ų104.862%0.62453%0.531SS*.Hα-helixtrans-61.6-37.2177.9-1780000111.5D884 K890D884-V886 PolarHBondContact O-N 3.18Å; D884-V886 VanDerWaalsContact O-N 3.1Å; V886-K890 WeakPolarHBondContact O-CB 3.34Å; V886-K890 PolarHBondContact O-N 3.17Å
887S60.5Low58.8Low73 Ų73108.3 Ų108.351%0.5154%0.539SS..Hα-helixtrans-68.7-37.4179-64.20000111.5D884 F885 K890 Y891D884-S887 WeakPolarHBondContact O-CB 3.25Å; D884-S887 PolarHBondContact O-N 3.18Å; F885-S887 VanDerWaalsContact C-N 3.28Å; F885-S887 PolarHBondContact O-N 3.38Å; S887-K890 PolarHBondContact O-N 3.25Å; S887-Y891 WeakPolarHBondContact O-CB 3.48Å; S887-Y891 PolarHBondContact O-N 3.13Å
888F58.6Low58Low67 Ų67115 Ų11529%0.29455%0.553SS.*Hα-helixtrans-66.5-50176.6179.8-102.3000111.6A874 L878 F885 K890 Y891 T892A874-F888 HydrophobicContact CB-CE1 4.02Å; A874-F888 HydrophobicContact CB-CZ 3.96Å; L878-F888 HydrophobicContact CD1-CB 3.63Å; L878-F888 HydrophobicContact CD1-CD1 3.81Å; L878-F888 HydrophobicContact CD1-CD2 3.67Å; L878-F888 HydrophobicContact CD1-CE1 4.38Å; L878-F888 HydrophobicContact CD1-CE2 4.26Å; L878-F888 HydrophobicContact CD1-CG 3.41Å; L878-F888 VanDerWaalsContact CD1-CG 3.41Å; L878-F888 HydrophobicContact CD2-CB 4.31Å; F885-F888 PolarHBondContact O-N 3.49Å; F888-K890 PolarHBondContact O-N 2.98Å; F888-Y891 CarbonylContact O-C 3.58Å; F888-Y891 WeakPolarHBondContact O-CA 3.1Å; F888-Y891 WeakPolarHBondContact O-CB 3.36Å; F888-Y891 PolarHBondContact O-N 2.95Å; F888-T892 WeakPolarHBondContact CE1-OG1 3.49Å; F888-T892 PolarHBondContact O-N 3.1Å; F888-T892 PolarHBondContact O-OG1 2.93Å
889I61.8Low56.9Low67 Ų67119.2 Ų119.234%0.34459%0.586SS.*Hα-helixtrans-55.7-44.1176.4-72.8-172000110.5F885 Y891 T892 I893F885-I889 HydrophobicContact CD1-CD1 3.98Å; F885-I889 HydrophobicContact CD1-CG1 4.49Å; F885-I889 HydrophobicContact CE1-CD1 3.26Å; F885-I889 HydrophobicContact CE1-CG1 4.08Å; F885-I889 HydrophobicContact CE2-CD1 4.32Å; F885-I889 HydrophobicContact CE2-CG1 4.42Å; F885-I889 HydrophobicContact CZ-CD1 3.48Å; F885-I889 VanDerWaalsContact CZ-CD1 3.48Å; F885-I889 HydrophobicContact CZ-CG1 4.04Å; F885-I889 PolarHBondContact O-N 3.35Å; F885-I889 VanDerWaalsContact O-N 3.1Å; I889-Y891 VanDerWaalsContact C-N 3.31Å; I889-Y891 PolarHBondContact O-N 2.9Å; I889-T892 PolarHBondContact O-N 3.15Å; I889-I893 HydrophobicContact CG2-CD1 3.63Å; I889-I893 HydrophobicContact CG2-CG1 4.28Å; I889-I893 VanDerWaalsContact O-CG1 3.3Å; I889-I893 WeakPolarHBondContact O-CG1 3.43Å; I889-I893 PolarHBondContact O-N 2.85Å
890K61.7Low56.7Low146 Ų146118.2 Ų118.264%0.63558%0.583SS**Hα-helixtrans-61.4-41177.9-163.5176.4-177.3-178.20111.6V886 S887 F888 E894V886-K890 WeakPolarHBondContact O-CB 3.34Å; V886-K890 PolarHBondContact O-N 3.17Å; S887-K890 PolarHBondContact O-N 3.25Å; F888-K890 PolarHBondContact O-N 2.98Å; K890-E894 WeakPolarHBondContact O-CB 3.31Å; K890-E894 WeakPolarHBondContact O-CG 3.49Å; K890-E894 PolarHBondContact O-N 2.78Å
891Y59.3Low56.7Low187 Ų187112.3 Ų112.373%0.73357%0.568SS**Hα-helixtrans-66-40.8175.9-123.8-81.7000112.6S887 F888 I889 E894 F895S887-Y891 WeakPolarHBondContact O-CB 3.48Å; S887-Y891 PolarHBondContact O-N 3.13Å; F888-Y891 CarbonylContact O-C 3.58Å; F888-Y891 WeakPolarHBondContact O-CA 3.1Å; F888-Y891 WeakPolarHBondContact O-CB 3.36Å; F888-Y891 PolarHBondContact O-N 2.95Å; I889-Y891 VanDerWaalsContact C-N 3.31Å; I889-Y891 PolarHBondContact O-N 2.9Å; Y891-E894 PolarHBondContact O-N 3.05Å; Y891-F895 VanDerWaalsContact O-CB 3.28Å; Y891-F895 WeakPolarHBondContact O-CB 3.38Å; Y891-F895 PolarHBondContact O-N 3.03Å
892T58Low56.6Low45 Ų45109.9 Ų109.928%0.27656%0.559SS.*Hα-helixtrans-66.8-42.2178.1-45.10000110.8F888 I889 F895 F896F888-T892 WeakPolarHBondContact CE1-OG1 3.49Å; F888-T892 PolarHBondContact O-N 3.1Å; F888-T892 PolarHBondContact O-OG1 2.93Å; I889-T892 PolarHBondContact O-N 3.15Å; T892-F895 WeakPolarHBondContact O-CB 3.39Å; T892-F895 PolarHBondContact O-N 3.07Å; T892-F896 HydrophobicContact CG2-CD2 3.91Å; T892-F896 HydrophobicContact CG2-CE2 3.78Å; T892-F896 VanDerWaalsContact O-CD2 3.24Å; T892-F896 WeakPolarHBondContact O-CD2 3.23Å; T892-F896 PolarHBondContact O-N 3.02Å
893I64.1Low56.7Low100 Ų100112.2 Ų112.251%0.51355%0.548SS..Hα-helixtrans-64.7-43.2175.4-66.1170000110.9I889 F895 F896 K897I889-I893 HydrophobicContact CG2-CD1 3.63Å; I889-I893 HydrophobicContact CG2-CG1 4.28Å; I889-I893 VanDerWaalsContact O-CG1 3.3Å; I889-I893 WeakPolarHBondContact O-CG1 3.43Å; I889-I893 PolarHBondContact O-N 2.85Å; I893-F895 VanDerWaalsContact C-N 3.31Å; I893-F895 PolarHBondContact O-N 3.05Å; I893-F896 PolarHBondContact O-N 2.9Å; I893-K897 WeakPolarHBondContact O-CB 3.38Å; I893-K897 PolarHBondContact O-N 2.9Å
894E59.9Low56.9Low84 Ų84114.8 Ų114.839%0.39355%0.553SS.*Hα-helixtrans-61.7-39.4174.2-84.4-76145.100112.1K890 Y891 K897 R898K890-E894 WeakPolarHBondContact O-CB 3.31Å; K890-E894 WeakPolarHBondContact O-CG 3.49Å; K890-E894 PolarHBondContact O-N 2.78Å; Y891-E894 PolarHBondContact O-N 3.05Å; E894-K897 PolarHBondContact O-N 3Å; E894-R898 WeakPolarHBondContact O-CG 3.31Å; E894-R898 PolarHBondContact O-N 3.21Å; E894-R898 IonicContact OE2-NE 2.65Å
895F58Low56.6Low137 Ų137114.5 Ų114.560%0.60155%0.547SS*.Hα-helixtrans-63.2-42.9176.6-174.5-92.7000111.6Y891 T892 I893 K897 R898 S899Y891-F895 VanDerWaalsContact O-CB 3.28Å; Y891-F895 WeakPolarHBondContact O-CB 3.38Å; Y891-F895 PolarHBondContact O-N 3.03Å; T892-F895 WeakPolarHBondContact O-CB 3.39Å; T892-F895 PolarHBondContact O-N 3.07Å; I893-F895 VanDerWaalsContact C-N 3.31Å; I893-F895 PolarHBondContact O-N 3.05Å; F895-K897 VanDerWaalsContact C-N 3.34Å; F895-R898 PolarHBondContact O-N 2.89Å; F895-S899 PolarHBondContact O-N 3.44Å; F895-S899 PolarHBondContact O-OG 3.19Å
896F54.5Low56.7Low142 Ų142117.2 Ų117.262%0.62356%0.562SS**Hα-helixtrans-75-18.7174.7-79.9-68.3000114.2T892 I893T892-F896 HydrophobicContact CG2-CD2 3.91Å; T892-F896 HydrophobicContact CG2-CE2 3.78Å; T892-F896 VanDerWaalsContact O-CD2 3.24Å; T892-F896 WeakPolarHBondContact O-CD2 3.23Å; T892-F896 PolarHBondContact O-N 3.02Å; I893-F896 PolarHBondContact O-N 2.9Å
897K52.8Low56.4Low160 Ų160118.3 Ų118.370%0.69656%0.557SS**Hα-helixtrans-79.7-27170.5-95.6-171.7173.6-175.60113.2I893 E894 F895I893-K897 WeakPolarHBondContact O-CB 3.38Å; I893-K897 PolarHBondContact O-N 2.9Å; E894-K897 PolarHBondContact O-N 3Å; F895-K897 VanDerWaalsContact C-N 3.34Å
898R46.8Very low56.1Low211 Ų211122.1 Ų122.180%0.79656%0.561SS**Hα-helixtrans-88.3-20.5176.6-74.1-176.4-176.3-169.1-1.7113.1E894 F895E894-R898 WeakPolarHBondContact O-CG 3.31Å; E894-R898 PolarHBondContact O-N 3.21Å; E894-R898 IonicContact OE2-NE 2.65Å; F895-R898 PolarHBondContact O-N 2.89Å
899S37.6Very low55.9Low119 Ų119127.1 Ų127.183%0.83259%0.586SS**  trans-82.40167.1-53.60000109.1F895F895-S899 PolarHBondContact O-N 3.44Å; F895-S899 PolarHBondContact O-OG 3.19Å

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