A0A3Q0KSR8_SCHMA Loading...

Putative serine-rich repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KSR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 913 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
1M24.6Very low61.1Low242 Ų24270 Ų70100%1.19243%0.427SS*.  0111.90-73.317168.200107.6
2S25.7Very low63.5Low80 Ų8064.2 Ų64.256%0.55939%0.392SS*.  trans-140.898.6153.942.80000105.5
3T29.2Very low65.4Low128 Ų12859.3 Ų59.379%0.78536%0.362SS*.  trans-58.3147.9164.739.80000108.4G5T3-G5 PolarHBondContact O-N 3.38Å
4G40.2Very low66.7Low93 Ų9355.1 Ų55.196%0.95934%0.336SS*.SBendtrans-67.670.1-174.100000113.9
5G52.2Low67.7Low40 Ų4051.4 Ų51.441%0.41231%0.314SS..PPolyproline II helixtrans-100.1168.3176.300000111.9T3 H7T3-G5 PolarHBondContact O-N 3.38Å; G5-H7 PolarHBondContact O-CD2 3.32Å
6Y67Low68.5Low105 Ų10548.9 Ų48.941%0.41230%0.297SS..PPolyproline II helixtrans-64.3137.7179.3-159.4-116.1000111.2N54 F80 A83 S84Y6-N54 PolarHBondContact O-ND2 3.44Å; Y6-F80 WeakPolarHBondContact CE2-O 3.37Å; Y6-F80 PolarHBondContact OH-O 3.04Å; Y6-A83 VanDerWaalsContact CZ-C 3.47Å; Y6-A83 VanDerWaalsContact OH-C 3.27Å; Y6-A83 PolarHBondContact OH-O 3.21Å; Y6-S84 WeakPolarHBondContact OH-CA 3.49Å; Y6-S84 PolarHBondContact OH-N 2.97Å
7H79.1Confident69.2Low26 Ų2646 Ų4612%0.1228%0.28CS..EExtended strand (participates in β ladder)trans-97150.6176.3-63.1-92.3000110.4G5 N54 L56 Q82 A83 S84G5-H7 PolarHBondContact O-CD2 3.32Å; H7-N54 CarbonylContact C-O 3.39Å; H7-N54 WeakPolarHBondContact CB-O 3.32Å; H7-N54 PolarHBondContact CE1-OD1 3.39Å; H7-N54 PolarHBondContact ND1-ND2 3.24Å; H7-N54 VanDerWaalsContact ND1-ND2 3.15Å; H7-N54 PolarHBondContact ND1-OD1 3.2Å; H7-L56 HydrophobicContact CB-CB 4.25Å; H7-Q82 WeakPolarHBondContact CB-O 3.29Å; H7-Q82 PolarHBondContact CD2-O 3.03Å; H7-Q82 PolarHBondContact N-O 3.16Å; H7-A83 HydrophobicContact CB-CB 4.04Å; H7-A83 WeakPolarHBondContact O-CA 3.26Å; H7-S84 PolarHBondContact O-N 3.09Å; H7-S84 VanDerWaalsContact O-N 3.11Å
8H84.7Confident69.8Low54 Ų5443.4 Ų43.425%0.2526%0.264CS..EExtended strand (participates in β ladder)trans-73.3-34.5173-66.365.7000111L53 N54 S84 R85 I171H8-L53 HydrophobicContact CB-CD2 3.99Å; H8-N54 PolarHBondContact N-O 3.03Å; H8-N54 PolarHBondContact ND1-N 2.99Å; H8-S84 PolarHBondContact O-OG 3.48Å; H8-R85 PolarHBondContact O-N 3.12Å; H8-R85 VanDerWaalsContact O-N 3.13Å; H8-I171 HydrophobicContact CB-CG2 3.59Å
9A88.6Confident70.1Confident0 Ų044.9 Ų44.90%026%0.264CS..EExtended strand (participates in β ladder)trans-146.1148.5175.100000111.7V55 L56 R85 V87 I171A9-V55 HydrophobicContact CB-CG1 4.28Å; A9-V55 HydrophobicContact CB-CG2 4.5Å; A9-V55 WeakPolarHBondContact O-CA 3.43Å; A9-L56 PolarHBondContact O-N 2.82Å; A9-R85 CarbonylContact C-O 3.5Å; A9-R85 VanDerWaalsContact CA-O 3.26Å; A9-R85 WeakPolarHBondContact CA-O 3.39Å; A9-R85 HydrophobicContact CB-CB 4.34Å; A9-V87 HydrophobicContact CB-CG2 3.97Å; A9-I171 HydrophobicContact CB-CD1 3.96Å; A9-I171 HydrophobicContact CB-CG1 3.94Å; A9-I171 HydrophobicContact CB-CG2 3.95Å
10A89.6Confident70.3Confident0 Ų045.1 Ų45.10%026%0.262CS..EExtended strand (participates in β ladder)trans-112.8125161.700000110L56 L58 A83 R85 I86 V87A10-L56 CarbonylContact C-O 3.56Å; A10-L56 WeakPolarHBondContact CA-O 3.31Å; A10-L56 HydrophobicContact CB-CB 4.2Å; A10-L56 HydrophobicContact CB-CD2 4.47Å; A10-L58 HydrophobicContact CB-CD1 4.32Å; A10-A83 HydrophobicContact CB-CB 3.84Å; A10-R85 PolarHBondContact N-O 2.96Å; A10-I86 HydrophobicContact CB-CD1 3.87Å; A10-I86 WeakPolarHBondContact O-CA 3.34Å; A10-V87 PolarHBondContact O-N 3.3Å
11I91Very high70.4Confident2 Ų243.9 Ų43.91%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-87127.1175.2-63.3165.7000109.1A39 L42 V55 L56 L58 V87 F89I11-A39 HydrophobicContact CG2-CB 3.9Å; I11-L42 HydrophobicContact CD1-CB 4.44Å; I11-L42 HydrophobicContact CD1-CD2 4.18Å; I11-L42 HydrophobicContact CD1-CG 4.07Å; I11-V55 HydrophobicContact CD1-CG1 3.64Å; I11-V55 HydrophobicContact CG1-CG1 3.92Å; I11-L56 PolarHBondContact N-O 3.04Å; I11-L58 PolarHBondContact O-N 3.05Å; I11-L58 VanDerWaalsContact O-N 3.09Å; I11-V87 CarbonylContact C-O 3.58Å; I11-V87 WeakPolarHBondContact CA-O 2.94Å; I11-V87 HydrophobicContact CG1-CB 3.86Å; I11-V87 HydrophobicContact CG1-CG1 4.05Å; I11-V87 HydrophobicContact CG1-CG2 4.49Å; I11-F89 HydrophobicContact CG2-CB 4.19Å
12L89.8Confident72.7Confident0 Ų035.6 Ų35.60%021%0.213CC..EExtended strand (participates in β ladder)trans-104.2128174-60.4-175.1000110F16 L58 W69 L79 I86 V87 L88 F89L12-F16 HydrophobicContact CB-CB 4.36Å; L12-F16 HydrophobicContact CB-CD1 4.45Å; L12-F16 HydrophobicContact CB-CG 4.45Å; L12-F16 HydrophobicContact CD1-CD1 3.78Å; L12-F16 HydrophobicContact CD1-CE1 3.85Å; L12-F16 HydrophobicContact CD1-CG 4.49Å; L12-F16 HydrophobicContact CD2-CD1 3.88Å; L12-F16 HydrophobicContact CD2-CD2 3.96Å; L12-F16 HydrophobicContact CD2-CE1 3.91Å; L12-F16 HydrophobicContact CD2-CE2 3.99Å; L12-F16 HydrophobicContact CD2-CG 3.89Å; L12-F16 HydrophobicContact CD2-CZ 3.96Å; L12-F16 HydrophobicContact CG-CD1 4.27Å; L12-L58 HydrophobicContact CD2-CB 4.07Å; L12-L58 HydrophobicContact CD2-CD1 3.52Å; L12-L58 HydrophobicContact CD2-CG 4.34Å; L12-W69 HydrophobicContact CD1-CH2 4.04Å; L12-W69 HydrophobicContact CD1-CZ2 3.69Å; L12-L79 HydrophobicContact CD1-CD1 4.21Å; L12-L79 HydrophobicContact CD2-CD2 4.28Å; L12-I86 HydrophobicContact CD1-CG2 3.48Å; L12-I86 VanDerWaalsContact CD1-CG2 3.48Å; L12-I86 HydrophobicContact CG-CG2 3.84Å; L12-V87 PolarHBondContact N-O 3.07Å; L12-L88 HydrophobicContact CB-CD2 4.24Å; L12-L88 HydrophobicContact CD1-CD2 3.86Å; L12-F89 VanDerWaalsContact O-CB 3.31Å; L12-F89 WeakPolarHBondContact O-CB 3.45Å; L12-F89 PolarHBondContact O-N 3.48Å
13S88Confident74.5Confident1 Ų137.8 Ų37.81%0.00723%0.228CC..  trans-79161.9173.368.90000111.8A15 F16 E36S13-A15 PolarHBondContact O-N 3.11Å; S13-A15 VanDerWaalsContact O-N 3.16Å; S13-A15 PolarHBondContact OG-N 3Å; S13-F16 VanDerWaalsContact O-CB 3.23Å; S13-F16 WeakPolarHBondContact O-CB 3.38Å; S13-F16 PolarHBondContact O-N 2.87Å; S13-E36 WeakPolarHBondContact OG-CG 3.47Å
14P84Confident76.1Confident0 Ų037.2 Ų37.20%022%0.22CC..Hα-helixtrans-50-33167.7-3236.4000114.8F16 Y17 A18 Y32 H35 F89 P91 A94P14-F16 PolarHBondContact O-N 2.88Å; P14-Y17 VanDerWaalsContact CA-CE1 3.45Å; P14-Y17 HydrophobicContact CB-CE1 4.27Å; P14-Y17 HydrophobicContact CB-CE2 4.43Å; P14-Y17 HydrophobicContact CG-CE1 4.27Å; P14-Y17 PolarHBondContact O-N 3.26Å; P14-A18 WeakPolarHBondContact O-CB 3.42Å; P14-A18 PolarHBondContact O-N 3.31Å; P14-Y32 HydrophobicContact CB-CD1 4.35Å; P14-Y32 HydrophobicContact CB-CE1 4.41Å; P14-H35 HydrophobicContact CB-CB 4.11Å; P14-H35 HydrophobicContact CG-CB 3.66Å; P14-F89 WeakPolarHBondContact CD-O 3.39Å; P14-F89 HydrophobicContact CG-CD1 4.36Å; P14-F89 WeakPolarHBondContact CG-O 3.32Å; P14-P91 HydrophobicContact CG-CG 3.91Å; P14-A94 HydrophobicContact CB-CB 4.25Å; P14-A94 HydrophobicContact CG-CB 4.14Å
15A81.4Confident77.1Confident0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-61-31.2176.600000112.5S13 R19 I26 Y32 E36S13-A15 PolarHBondContact O-N 3.11Å; S13-A15 VanDerWaalsContact O-N 3.16Å; S13-A15 PolarHBondContact OG-N 3Å; A15-R19 WeakPolarHBondContact O-CB 3.43Å; A15-R19 PolarHBondContact O-N 2.98Å; A15-I26 HydrophobicContact CB-CG2 3.85Å; A15-Y32 HydrophobicContact CB-CD1 3.93Å; A15-Y32 HydrophobicContact CB-CG 4.3Å; A15-E36 HydrophobicContact CB-CG 3.95Å; A15-E36 VanDerWaalsContact CB-OE1 3.28Å; A15-E36 WeakPolarHBondContact CB-OE1 3.25Å
16F80.7Confident77.8Confident11 Ų1136.9 Ų36.95%0.04819%0.186CC..Hα-helixtrans-72.1-47.9-177.7-164.9-85000112.1L12 S13 P14 L58 M64 L68 W69 L79L12-F16 HydrophobicContact CB-CB 4.36Å; L12-F16 HydrophobicContact CB-CD1 4.45Å; L12-F16 HydrophobicContact CB-CG 4.45Å; L12-F16 HydrophobicContact CD1-CD1 3.78Å; L12-F16 HydrophobicContact CD1-CE1 3.85Å; L12-F16 HydrophobicContact CD1-CG 4.49Å; L12-F16 HydrophobicContact CD2-CD1 3.88Å; L12-F16 HydrophobicContact CD2-CD2 3.96Å; L12-F16 HydrophobicContact CD2-CE1 3.91Å; L12-F16 HydrophobicContact CD2-CE2 3.99Å; L12-F16 HydrophobicContact CD2-CG 3.89Å; L12-F16 HydrophobicContact CD2-CZ 3.96Å; L12-F16 HydrophobicContact CG-CD1 4.27Å; S13-F16 VanDerWaalsContact O-CB 3.23Å; S13-F16 WeakPolarHBondContact O-CB 3.38Å; S13-F16 PolarHBondContact O-N 2.87Å; P14-F16 PolarHBondContact O-N 2.88Å; F16-L58 HydrophobicContact CE2-CD1 4.45Å; F16-M64 HydrophobicContact CE2-CB 4.06Å; F16-M64 HydrophobicContact CE2-CG 3.76Å; F16-M64 HydrophobicContact CE2-SD 3.77Å; F16-M64 HydrophobicContact CZ-CB 4.23Å; F16-M64 HydrophobicContact CZ-CG 4.07Å; F16-M64 HydrophobicContact CZ-SD 3.57Å; F16-M64 VanDerWaalsContact CZ-SD 3.57Å; F16-L68 HydrophobicContact CE1-CD2 3.61Å; F16-L68 HydrophobicContact CZ-CD2 3.41Å; F16-L68 VanDerWaalsContact CZ-CD2 3.41Å; F16-W69 HydrophobicContact CD1-CZ2 4.2Å; F16-W69 AromaticContact CD1-NE1 3.95Å; F16-W69 AromaticContact CE1-CZ2 3.85Å; F16-W69 HydrophobicContact CE1-CZ2 3.85Å; F16-W69 AromaticContact CE1-NE1 3.61Å; F16-L79 HydrophobicContact CE1-CD1 4.48Å; F16-L79 HydrophobicContact CZ-CD2 4.06Å
17Y80.8Confident77.5Confident0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-83.6-31.4179.859.8-104.7000112.9P14 R19 Q20 C21 F89 H97 I98 F101P14-Y17 VanDerWaalsContact CA-CE1 3.45Å; P14-Y17 HydrophobicContact CB-CE1 4.27Å; P14-Y17 HydrophobicContact CB-CE2 4.43Å; P14-Y17 HydrophobicContact CG-CE1 4.27Å; P14-Y17 PolarHBondContact O-N 3.26Å; Y17-R19 PolarHBondContact O-N 2.99Å; Y17-Q20 WeakPolarHBondContact O-CB 3.3Å; Y17-Q20 PolarHBondContact O-N 3.35Å; Y17-Q20 VanDerWaalsContact O-N 3.15Å; Y17-C21 PolarHBondContact O-N 3.2Å; Y17-C21 PolarHBondContact O-SG 3.11Å; Y17-F89 PolarHBondContact OH-O 3.25Å; Y17-H97 HydrophobicContact CD2-CB 4.24Å; Y17-H97 HydrophobicContact CE2-CB 3.67Å; Y17-I98 HydrophobicContact CE2-CB 4.25Å; Y17-I98 HydrophobicContact CE2-CD1 4.47Å; Y17-F101 HydrophobicContact CD2-CB 4.12Å; Y17-F101 HydrophobicContact CD2-CD1 4.47Å; Y17-F101 HydrophobicContact CD2-CG 4.28Å; Y17-F101 HydrophobicContact CG-CD1 4.2Å; Y17-F101 HydrophobicContact CG-CG 4.23Å
18A79.2Confident76.7Confident0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-58.5-37.4171.200000111.7P14 Q20 C21 Y22 I26 Y32P14-A18 WeakPolarHBondContact O-CB 3.42Å; P14-A18 PolarHBondContact O-N 3.31Å; A18-Q20 PolarHBondContact O-N 2.91Å; A18-C21 PolarHBondContact O-N 2.96Å; A18-Y22 HydrophobicContact CB-CD2 4.02Å; A18-Y22 HydrophobicContact CB-CE2 4.44Å; A18-Y22 VanDerWaalsContact O-CD2 3.28Å; A18-Y22 WeakPolarHBondContact O-CD2 3.45Å; A18-Y22 PolarHBondContact O-N 3.45Å; A18-I26 HydrophobicContact CB-CD1 3.72Å; A18-Y32 HydrophobicContact CB-CE1 3.49Å; A18-Y32 VanDerWaalsContact CB-CE1 3.49Å; A18-Y32 WeakPolarHBondContact CB-OH 3.32Å
19R76.1Confident76Confident71 Ų7139.8 Ų39.827%0.26822%0.216SC..Hα-helixtrans-65.9-25.1179-172.8-176.4178.6115.5-3.6113.9A15 Y17 I26 S61 N66A15-R19 WeakPolarHBondContact O-CB 3.43Å; A15-R19 PolarHBondContact O-N 2.98Å; Y17-R19 PolarHBondContact O-N 2.99Å; R19-I26 HydrophobicContact CB-CD1 3.66Å; R19-I26 HydrophobicContact CG-CD1 4.43Å; R19-S61 WeakPolarHBondContact CD-O 3.24Å; R19-S61 PolarHBondContact NE-O 2.99Å; R19-S61 PolarHBondContact NH1-O 3.03Å; R19-N66 PolarHBondContact NE-OD1 3.13Å; R19-N66 PolarHBondContact NH2-OD1 2.86Å
20Q73.5Confident75.3Confident48 Ų4844 Ų4422%0.22425%0.245CC..Hα-helixtrans-77.5-29.4174-169.962.45400112Y17 A18 N66 W69 C105Y17-Q20 WeakPolarHBondContact O-CB 3.3Å; Y17-Q20 PolarHBondContact O-N 3.35Å; Y17-Q20 VanDerWaalsContact O-N 3.15Å; A18-Q20 PolarHBondContact O-N 2.91Å; Q20-N66 PolarHBondContact NE2-O 3.04Å; Q20-N66 PolarHBondContact OE1-O 3.38Å; Q20-N66 VanDerWaalsContact OE1-O 3.14Å; Q20-W69 HydrophobicContact CG-CB 3.84Å; Q20-W69 HydrophobicContact CG-CG 3.94Å; Q20-C105 VanDerWaalsContact CG-SG 3.55Å
21C73.6Confident74.6Confident21 Ų2145.4 Ų45.414%0.14226%0.255CS..Hα-helixtrans-95-33.6-173-610000113.5Y17 A18 Y100Y17-C21 PolarHBondContact O-N 3.2Å; Y17-C21 PolarHBondContact O-SG 3.11Å; A18-C21 PolarHBondContact O-N 2.96Å; C21-Y100 HydrophobicContact CB-CD1 3.56Å; C21-Y100 HydrophobicContact CB-CE1 3.86Å
22Y73.5Confident74Confident68 Ų6846.1 Ų46.127%0.26726%0.258SS..  trans-121.9130.4-174-52.5-74.6000109.6A18 D24 H97A18-Y22 HydrophobicContact CB-CD2 4.02Å; A18-Y22 HydrophobicContact CB-CE2 4.44Å; A18-Y22 VanDerWaalsContact O-CD2 3.28Å; A18-Y22 WeakPolarHBondContact O-CD2 3.45Å; A18-Y22 PolarHBondContact O-N 3.45Å; Y22-D24 PolarHBondContact O-N 3.33Å; Y22-H97 HydrophobicContact CE2-CB 4.34Å; Y22-H97 AromaticContact CE2-CD2 3.41Å; Y22-H97 VanDerWaalsContact CE2-CD2 3.41Å; Y22-H97 WeakPolarHBondContact CE2-CD2 3.25Å; Y22-H97 AromaticContact CZ-CD2 3.76Å
23S63.4Low73.4Confident125 Ų12553.6 Ų53.687%0.87429%0.286SS*.  trans-68.8-6.9178.248.90000114.4
24D62.5Low73.1Confident116 Ų11660.5 Ų60.562%0.6232%0.316SS*.SBendtrans-77.6154.2-167.7-67.8-20.7000113Y22 I26Y22-D24 PolarHBondContact O-N 3.33Å; D24-I26 PolarHBondContact O-N 3.34Å
25N60.8Low73Confident116 Ų11661.1 Ų61.162%0.6232%0.319SS*.  trans-70.678.9175.8-82.1-46.1000111.1S27 N28N25-S27 PolarHBondContact O-N 3.1Å; N25-S27 VanDerWaalsContact O-N 3.1Å; N25-N28 HydrophobicContact CB-CB 4.4Å; N25-N28 WeakPolarHBondContact CB-ND2 3.44Å; N25-N28 VanDerWaalsContact O-CB 3.32Å; N25-N28 WeakPolarHBondContact O-CB 3.39Å; N25-N28 PolarHBondContact O-N 3Å
26I66.7Low73.2Confident10 Ų1062 Ų625%0.05132%0.323CS..G310 helixtrans-52.2-29.2173.3-76.8156.9000112.5A15 A18 R19 D24 N28 D29 Y32A15-I26 HydrophobicContact CB-CG2 3.85Å; A18-I26 HydrophobicContact CB-CD1 3.72Å; R19-I26 HydrophobicContact CB-CD1 3.66Å; R19-I26 HydrophobicContact CG-CD1 4.43Å; D24-I26 PolarHBondContact O-N 3.34Å; I26-N28 PolarHBondContact O-N 3.25Å; I26-N28 VanDerWaalsContact O-N 3.09Å; I26-D29 PolarHBondContact O-N 2.93Å; I26-Y32 HydrophobicContact CB-CD2 4.38Å; I26-Y32 HydrophobicContact CB-CE2 4.5Å; I26-Y32 HydrophobicContact CG1-CD2 4.35Å; I26-Y32 HydrophobicContact CG1-CE2 3.98Å; I26-Y32 HydrophobicContact CG2-CD1 4.07Å; I26-Y32 HydrophobicContact CG2-CD2 3.8Å; I26-Y32 HydrophobicContact CG2-CE1 4.48Å; I26-Y32 HydrophobicContact CG2-CE2 4.26Å; I26-Y32 HydrophobicContact CG2-CG 3.69Å
27S61.3Low73.3Confident50 Ų5064.5 Ų64.535%0.3534%0.337SS..G310 helixtrans-54.7-26.2171.357.40000114.2N25 W33N25-S27 PolarHBondContact O-N 3.1Å; N25-S27 VanDerWaalsContact O-N 3.1Å; S27-W33 PolarHBondContact O-NE1 3.01Å
28N61.6Low73.6Confident128 Ų12865.7 Ų65.768%0.68435%0.346SS*.G310 helixtrans-95.1-14.2-174.7-60.1-8.1000113N25 I26N25-N28 HydrophobicContact CB-CB 4.4Å; N25-N28 WeakPolarHBondContact CB-ND2 3.44Å; N25-N28 VanDerWaalsContact O-CB 3.32Å; N25-N28 WeakPolarHBondContact O-CB 3.39Å; N25-N28 PolarHBondContact O-N 3Å; I26-N28 PolarHBondContact O-N 3.25Å; I26-N28 VanDerWaalsContact O-N 3.09Å
29D70.5Confident74Confident69 Ų6965.7 Ų65.737%0.36935%0.346SS..  trans-93.6119.2178.1179.711.4000111.2I26 S31 Y32I26-D29 PolarHBondContact O-N 2.93Å; D29-S31 PolarHBondContact O-N 2.98Å; D29-S31 PolarHBondContact OD1-N 2.87Å; D29-S31 PolarHBondContact OD1-OG 3.4Å; D29-S31 PolarHBondContact OD2-OG 3Å; D29-Y32 HydrophobicContact CB-CD2 3.86Å; D29-Y32 HydrophobicContact CB-CE2 4.16Å; D29-Y32 PolarHBondContact O-N 2.99Å
30S72.8Confident74.5Confident88 Ų8866.2 Ų66.262%0.61535%0.349SS*.Hα-helixtrans-62.3-16.6177.561.60000115.3
31S75.9Confident75.2Confident29 Ų2968.4 Ų68.420%0.20336%0.358CS..Hα-helixtrans-61.5-52.7175.168.50000110.8D29 W33 K34 H35D29-S31 PolarHBondContact O-N 2.98Å; D29-S31 PolarHBondContact OD1-N 2.87Å; D29-S31 PolarHBondContact OD1-OG 3.4Å; D29-S31 PolarHBondContact OD2-OG 3Å; S31-W33 VanDerWaalsContact C-N 3.3Å; S31-W33 PolarHBondContact O-N 3.21Å; S31-K34 VanDerWaalsContact O-CB 3.3Å; S31-K34 WeakPolarHBondContact O-CB 3.45Å; S31-K34 PolarHBondContact O-N 3.04Å; S31-H35 PolarHBondContact O-N 3.09Å
32Y78.1Confident75.9Confident17 Ų1767.4 Ų67.47%0.06735%0.352CS..Hα-helixtrans-60.7-34-176.4-67.9-76.4000114P14 A15 A18 I26 D29 K34 H35 E36 H97P14-Y32 HydrophobicContact CB-CD1 4.35Å; P14-Y32 HydrophobicContact CB-CE1 4.41Å; A15-Y32 HydrophobicContact CB-CD1 3.93Å; A15-Y32 HydrophobicContact CB-CG 4.3Å; A18-Y32 HydrophobicContact CB-CE1 3.49Å; A18-Y32 VanDerWaalsContact CB-CE1 3.49Å; A18-Y32 WeakPolarHBondContact CB-OH 3.32Å; I26-Y32 HydrophobicContact CB-CD2 4.38Å; I26-Y32 HydrophobicContact CB-CE2 4.5Å; I26-Y32 HydrophobicContact CG1-CD2 4.35Å; I26-Y32 HydrophobicContact CG1-CE2 3.98Å; I26-Y32 HydrophobicContact CG2-CD1 4.07Å; I26-Y32 HydrophobicContact CG2-CD2 3.8Å; I26-Y32 HydrophobicContact CG2-CE1 4.48Å; I26-Y32 HydrophobicContact CG2-CE2 4.26Å; I26-Y32 HydrophobicContact CG2-CG 3.69Å; D29-Y32 HydrophobicContact CB-CD2 3.86Å; D29-Y32 HydrophobicContact CB-CE2 4.16Å; D29-Y32 PolarHBondContact O-N 2.99Å; Y32-K34 PolarHBondContact O-N 3.18Å; Y32-H35 PolarHBondContact O-N 3Å; Y32-E36 PolarHBondContact O-N 2.92Å; Y32-H97 AromaticContact CZ-CE1 3.89Å; Y32-H97 PolarHBondContact OH-CE1 3.13Å; Y32-H97 PolarHBondContact OH-NE2 3.37Å
33W76.4Confident76.7Confident157 Ų15764.4 Ų64.460%0.59534%0.341SS*.Hα-helixtrans-59-35.1173.6-7392.9000112.4S27 S31 D37S27-W33 PolarHBondContact O-NE1 3.01Å; S31-W33 VanDerWaalsContact C-N 3.3Å; S31-W33 PolarHBondContact O-N 3.21Å; W33-D37 VanDerWaalsContact O-CB 3.25Å; W33-D37 WeakPolarHBondContact O-CB 3.47Å; W33-D37 PolarHBondContact O-N 3.46Å
34K81.7Confident77.9Confident147 Ų14762.1 Ų62.164%0.63932%0.319SS*.Hα-helixtrans-69-35.7173.7-57.5177.5-176.6172.90111.7S31 Y32 A38S31-K34 VanDerWaalsContact O-CB 3.3Å; S31-K34 WeakPolarHBondContact O-CB 3.45Å; S31-K34 PolarHBondContact O-N 3.04Å; Y32-K34 PolarHBondContact O-N 3.18Å; K34-A38 VanDerWaalsContact O-CB 3.31Å; K34-A38 WeakPolarHBondContact O-CB 3.36Å; K34-A38 PolarHBondContact O-N 2.98Å
35H83.6Confident79.1Confident12 Ų1259.1 Ų59.16%0.05630%0.301CS..Hα-helixtrans-76.7-36.3-179.8-46.7-43.7000112.6P14 S31 Y32 D37 A38 A39 D93P14-H35 HydrophobicContact CB-CB 4.11Å; P14-H35 HydrophobicContact CG-CB 3.66Å; S31-H35 PolarHBondContact O-N 3.09Å; Y32-H35 PolarHBondContact O-N 3Å; H35-D37 VanDerWaalsContact C-N 3.33Å; H35-A38 PolarHBondContact O-N 3.45Å; H35-A39 VanDerWaalsContact O-CB 3.25Å; H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.9Å; H35-D93 VanDerWaalsContact CE1-CG 3.48Å; H35-D93 IonicContact CE1-OD1 2.7Å; H35-D93 PolarHBondContact CE1-OD1 3.41Å; H35-D93 IonicContact CE1-OD2 3.01Å; H35-D93 PolarHBondContact CE1-OD2 3.31Å; H35-D93 VanDerWaalsContact CE1-OD2 3.31Å; H35-D93 IonicContact ND1-OD1 3.75Å; H35-D93 IonicContact NE2-OD1 2.79Å; H35-D93 IonicContact NE2-OD2 3.11Å
36E84.1Confident80.5Confident19 Ų1953.7 Ų53.79%0.08927%0.272CS..Hα-helixtrans-63.9-39.3169.1-74.9-176.3161.600111.2S13 A15 Y32 R40S13-E36 WeakPolarHBondContact OG-CG 3.47Å; A15-E36 HydrophobicContact CB-CG 3.95Å; A15-E36 VanDerWaalsContact CB-OE1 3.28Å; A15-E36 WeakPolarHBondContact CB-OE1 3.25Å; Y32-E36 PolarHBondContact O-N 2.92Å; E36-R40 WeakPolarHBondContact O-CB 3.49Å; E36-R40 PolarHBondContact O-N 3.08Å
37D84.1Confident81.4Confident63 Ų6356.4 Ų56.434%0.33729%0.285SS..Hα-helixtrans-63-48.3172.7-167.156.2000111.9W33 H35 R40 H41W33-D37 VanDerWaalsContact O-CB 3.25Å; W33-D37 WeakPolarHBondContact O-CB 3.47Å; W33-D37 PolarHBondContact O-N 3.46Å; H35-D37 VanDerWaalsContact C-N 3.33Å; D37-R40 PolarHBondContact O-N 3.34Å; D37-R40 IonicContact OD1-CZ 3.97Å; D37-R40 IonicContact OD1-NH1 2.62Å; D37-R40 PolarHBondContact OD1-NH1 2.88Å; D37-R40 IonicContact OD1-NH2 3.08Å; D37-R40 PolarHBondContact OD1-NH2 3.21Å; D37-H41 WeakPolarHBondContact O-CB 3.31Å; D37-H41 PolarHBondContact O-CD2 2.87Å; D37-H41 PolarHBondContact O-N 2.77Å; D37-H41 IonicContact OD1-CD2 3.31Å; D37-H41 IonicContact OD1-NE2 3.94Å; D37-H41 IonicContact OD2-CD2 2.66Å; D37-H41 IonicContact OD2-NE2 3.09Å
38A85.4Confident82.7Confident25 Ų2560.3 Ų60.321%0.20730%0.302CS..Hα-helixtrans-64.1-41178.200000113.1K34 H35 H41 L42 F89K34-A38 VanDerWaalsContact O-CB 3.31Å; K34-A38 WeakPolarHBondContact O-CB 3.36Å; K34-A38 PolarHBondContact O-N 2.98Å; H35-A38 PolarHBondContact O-N 3.45Å; A38-H41 PolarHBondContact O-N 3.27Å; A38-L42 PolarHBondContact O-N 2.89Å; A38-F89 HydrophobicContact CB-CE1 3.72Å; A38-F89 HydrophobicContact CB-CZ 3.51Å
39A88.4Confident83.8Confident0 Ų057.8 Ų57.80%029%0.285CS..Hα-helixtrans-62.1-42.5174.100000111.9I11 H35 L42 S43 F89I11-A39 HydrophobicContact CG2-CB 3.9Å; H35-A39 VanDerWaalsContact O-CB 3.25Å; H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.9Å; A39-L42 WeakPolarHBondContact O-CB 3.37Å; A39-L42 PolarHBondContact O-N 3.38Å; A39-S43 PolarHBondContact O-N 3.33Å; A39-F89 HydrophobicContact CB-CB 4.24Å; A39-F89 HydrophobicContact CB-CD1 4.22Å; A39-F89 HydrophobicContact CB-CG 4.09Å
40R87.1Confident84.7Confident83 Ų8355.8 Ų55.831%0.31327%0.272SS..Hα-helixtrans-65-38.9173.5170.7166.839.867-2.2112E36 D37 S43 N44 C57E36-R40 WeakPolarHBondContact O-CB 3.49Å; E36-R40 PolarHBondContact O-N 3.08Å; D37-R40 PolarHBondContact O-N 3.34Å; D37-R40 IonicContact OD1-CZ 3.97Å; D37-R40 IonicContact OD1-NH1 2.62Å; D37-R40 PolarHBondContact OD1-NH1 2.88Å; D37-R40 IonicContact OD1-NH2 3.08Å; D37-R40 PolarHBondContact OD1-NH2 3.21Å; R40-S43 PolarHBondContact O-N 3.04Å; R40-N44 WeakPolarHBondContact O-CB 3.28Å; R40-N44 VanDerWaalsContact O-CG 3.27Å; R40-N44 PolarHBondContact O-N 2.77Å; R40-N44 PolarHBondContact O-ND2 2.88Å; R40-C57 VanDerWaalsContact CA-SG 3.6Å; R40-C57 PolarHBondContact N-SG 2.91Å; R40-C57 VanDerWaalsContact N-SG 3.43Å
41H87.8Confident85.1Confident93 Ų9356.5 Ų56.543%0.43128%0.275SS..Hα-helixtrans-63.2-40.8173.1-85.9-70.2000112D37 A38 N44 H45 W157D37-H41 WeakPolarHBondContact O-CB 3.31Å; D37-H41 PolarHBondContact O-CD2 2.87Å; D37-H41 PolarHBondContact O-N 2.77Å; D37-H41 IonicContact OD1-CD2 3.31Å; D37-H41 IonicContact OD1-NE2 3.94Å; D37-H41 IonicContact OD2-CD2 2.66Å; D37-H41 IonicContact OD2-NE2 3.09Å; A38-H41 PolarHBondContact O-N 3.27Å; H41-N44 PolarHBondContact O-N 3.35Å; H41-H45 VanDerWaalsContact O-CB 3.24Å; H41-H45 WeakPolarHBondContact O-CB 3.42Å; H41-H45 PolarHBondContact O-N 3.03Å; H41-W157 HydrophobicContact CB-CH2 4.41Å; H41-W157 HydrophobicContact CB-CZ2 4.15Å
42L89Confident85.4Confident1 Ų161.4 Ų61.41%0.00530%0.299CS..Hα-helixtrans-60.7-49172.7179.164.3000111.4I11 A38 A39 N44 H45 V46 F89 V129 W157 M164 L167I11-L42 HydrophobicContact CD1-CB 4.44Å; I11-L42 HydrophobicContact CD1-CD2 4.18Å; I11-L42 HydrophobicContact CD1-CG 4.07Å; A38-L42 PolarHBondContact O-N 2.89Å; A39-L42 WeakPolarHBondContact O-CB 3.37Å; A39-L42 PolarHBondContact O-N 3.38Å; L42-N44 PolarHBondContact O-N 3.38Å; L42-H45 PolarHBondContact O-N 3.01Å; L42-H45 VanDerWaalsContact O-N 3.15Å; L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.39Å; L42-V46 WeakPolarHBondContact O-CG2 3.39Å; L42-V46 PolarHBondContact O-N 2.82Å; L42-F89 HydrophobicContact CB-CE2 4.39Å; L42-F89 HydrophobicContact CD2-CD2 3.71Å; L42-F89 HydrophobicContact CD2-CE2 4.08Å; L42-V129 HydrophobicContact CD2-CB 4.4Å; L42-V129 HydrophobicContact CD2-CG1 3.83Å; L42-W157 VanDerWaalsContact CA-CH2 3.48Å; L42-W157 HydrophobicContact CB-CH2 4.05Å; L42-W157 HydrophobicContact CB-CZ3 4.22Å; L42-W157 HydrophobicContact CD1-CE3 3.87Å; L42-W157 HydrophobicContact CD1-CH2 4.22Å; L42-W157 HydrophobicContact CD1-CZ3 3.51Å; L42-W157 HydrophobicContact CG-CZ3 4.48Å; L42-M164 HydrophobicContact CD1-SD 4.27Å; L42-L167 HydrophobicContact CD1-CD2 3.96Å; L42-L167 HydrophobicContact CD2-CD2 4.46Å; L42-L167 HydrophobicContact CG-CD2 4.49Å
43S89.5Confident85.7Confident4 Ų460.7 Ų60.73%0.02830%0.297CS..Hα-helixtrans-54.6-51.4176.9-162.20000112A39 R40 H45 V46 M47 V55A39-S43 PolarHBondContact O-N 3.33Å; R40-S43 PolarHBondContact O-N 3.04Å; S43-H45 VanDerWaalsContact C-N 3.31Å; S43-H45 PolarHBondContact O-N 2.91Å; S43-V46 PolarHBondContact O-N 2.94Å; S43-M47 WeakPolarHBondContact O-CG 3.36Å; S43-M47 PolarHBondContact O-N 3.49Å; S43-V55 PolarHBondContact OG-O 3.27Å
44N88.4Confident86.1Confident78 Ų7855.3 Ų55.342%0.41728%0.279SS..Hα-helixtrans-63.1-38.3178.8-69.6-16.7000111.7R40 H41 L42 N48R40-N44 WeakPolarHBondContact O-CB 3.28Å; R40-N44 VanDerWaalsContact O-CG 3.27Å; R40-N44 PolarHBondContact O-N 2.77Å; R40-N44 PolarHBondContact O-ND2 2.88Å; H41-N44 PolarHBondContact O-N 3.35Å; L42-N44 PolarHBondContact O-N 3.38Å; N44-N48 VanDerWaalsContact O-CB 3.23Å; N44-N48 WeakPolarHBondContact O-CB 3.46Å; N44-N48 PolarHBondContact O-N 2.72Å; N44-N48 PolarHBondContact O-ND2 3.3Å
45H89Confident86.4Confident53 Ų5348.6 Ų48.625%0.24525%0.251CS..Hα-helixtrans-70.3-40.4179.6-169.971.5000112.3H41 L42 S43 N48 K49 W157 F158 M164H41-H45 VanDerWaalsContact O-CB 3.24Å; H41-H45 WeakPolarHBondContact O-CB 3.42Å; H41-H45 PolarHBondContact O-N 3.03Å; L42-H45 PolarHBondContact O-N 3.01Å; L42-H45 VanDerWaalsContact O-N 3.15Å; S43-H45 VanDerWaalsContact C-N 3.31Å; S43-H45 PolarHBondContact O-N 2.91Å; H45-N48 PolarHBondContact O-N 2.92Å; H45-K49 VanDerWaalsContact O-CB 3.29Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 2.91Å; H45-W157 HydrophobicContact CB-CH2 4.01Å; H45-W157 HydrophobicContact CB-CZ3 4.04Å; H45-W157 AromaticContact CD2-CZ3 3.91Å; H45-F158 PolarHBondContact NE2-O 3.45Å; H45-M164 VanDerWaalsContact CD2-CE 3.48Å; H45-M164 WeakPolarHBondContact CD2-CE 3.33Å
46V88.3Confident86.5Confident1 Ų149.7 Ų49.71%0.00626%0.257CS..Hα-helixtrans-60.5-49.5172.61750000110.5L42 S43 N48 K49 Y50 L53 V55 M164 L167 I171L42-V46 HydrophobicContact CD1-CG2 4.09Å; L42-V46 HydrophobicContact CG-CG2 4.39Å; L42-V46 WeakPolarHBondContact O-CG2 3.39Å; L42-V46 PolarHBondContact O-N 2.82Å; S43-V46 PolarHBondContact O-N 2.94Å; V46-N48 PolarHBondContact O-N 3.33Å; V46-K49 PolarHBondContact O-N 2.85Å; V46-Y50 HydrophobicContact CG1-CD2 4.37Å; V46-Y50 WeakPolarHBondContact O-CB 3.46Å; V46-Y50 PolarHBondContact O-N 3.48Å; V46-L53 HydrophobicContact CG1-CD1 4.13Å; V46-V55 HydrophobicContact CG1-CG2 3.82Å; V46-M164 HydrophobicContact CB-CE 4.25Å; V46-M164 HydrophobicContact CG2-CE 3.59Å; V46-M164 HydrophobicContact CG2-SD 4.42Å; V46-L167 HydrophobicContact CG2-CD2 3.72Å; V46-L167 HydrophobicContact CG2-CG 4.49Å; V46-I171 HydrophobicContact CG1-CD1 4.42Å
47M86.6Confident86.5Confident67 Ų6749.7 Ų49.733%0.3326%0.258SS..Hα-helixtrans-65.3-37.5179.6-66.2-177.77800112.9S43 Y50 P51 V55S43-M47 WeakPolarHBondContact O-CG 3.36Å; S43-M47 PolarHBondContact O-N 3.49Å; M47-Y50 CarbonylContact O-C 3.59Å; M47-P51 WeakPolarHBondContact O-CA 3.43Å; M47-V55 HydrophobicContact CG-CB 3.98Å; M47-V55 HydrophobicContact CG-CG2 4.32Å; M47-V55 HydrophobicContact SD-CB 4.34Å
48N87.6Confident86.3Confident132 Ų13248 Ų4871%0.70625%0.25SC*.Hα-helixtrans-69.5-37.1177.3-73.7-16.9000112.4N44 H45 V46N44-N48 VanDerWaalsContact O-CB 3.23Å; N44-N48 WeakPolarHBondContact O-CB 3.46Å; N44-N48 PolarHBondContact O-N 2.72Å; N44-N48 PolarHBondContact O-ND2 3.3Å; H45-N48 PolarHBondContact O-N 2.92Å; V46-N48 PolarHBondContact O-N 3.33Å
49K86.2Confident85.3Confident76 Ų7649.9 Ų49.933%0.3326%0.256SS..Hα-helixtrans-79.6-33.6179.3-167.4178.7180-163.20112.1H45 V46 M164H45-K49 VanDerWaalsContact O-CB 3.29Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 2.91Å; V46-K49 PolarHBondContact O-N 2.85Å; K49-M164 HydrophobicContact CD-CB 4.19Å; K49-M164 HydrophobicContact CD-CE 4.2Å; K49-M164 HydrophobicContact CD-CG 4.48Å; K49-M164 VanDerWaalsContact NZ-CB 3.34Å
50Y88Confident84.1Confident26 Ų2654.1 Ų54.110%0.10228%0.278CS..  trans-129.978.9-177.3-51.3-65.5000110.5V46 M47 N52 L53 M164 M165 E168V46-Y50 HydrophobicContact CG1-CD2 4.37Å; V46-Y50 WeakPolarHBondContact O-CB 3.46Å; V46-Y50 PolarHBondContact O-N 3.48Å; M47-Y50 CarbonylContact O-C 3.59Å; Y50-N52 PolarHBondContact O-N 3.35Å; Y50-L53 PolarHBondContact O-N 3.45Å; Y50-M164 HydrophobicContact CE2-CB 4.33Å; Y50-M164 HydrophobicContact CE2-CE 4.04Å; Y50-M164 WeakPolarHBondContact CE2-O 3.48Å; Y50-M164 PolarHBondContact OH-O 3.34Å; Y50-M165 WeakPolarHBondContact OH-CG 3.31Å; Y50-M165 PolarHBondContact OH-N 3.47Å; Y50-E168 HydrophobicContact CD1-CB 4.49Å; Y50-E168 HydrophobicContact CD1-CG 3.87Å; Y50-E168 WeakPolarHBondContact CD1-OE1 3.34Å; Y50-E168 WeakPolarHBondContact CD1-OE2 3.38Å; Y50-E168 HydrophobicContact CD2-CB 3.96Å; Y50-E168 HydrophobicContact CD2-CG 3.96Å; Y50-E168 HydrophobicContact CE1-CB 4.29Å; Y50-E168 HydrophobicContact CE1-CG 4.05Å; Y50-E168 WeakPolarHBondContact CE1-OE2 3.42Å; Y50-E168 HydrophobicContact CE2-CB 3.73Å; Y50-E168 HydrophobicContact CE2-CG 4.13Å; Y50-E168 HydrophobicContact CG-CB 4.32Å; Y50-E168 HydrophobicContact CG-CG 3.81Å
51P83Confident82.9Confident104 Ų10450.5 Ų50.568%0.67527%0.266SS*.THydrogen-bonded Turntrans-58.4-20.3-175.9-27.436.5000115.2M47 L53M47-P51 WeakPolarHBondContact O-CA 3.43Å; P51-L53 PolarHBondContact O-N 2.91Å
52N82Confident81.3Confident132 Ų13249.2 Ų49.271%0.70627%0.265SS*.THydrogen-bonded Turntrans-74.4-13.2176.4-58.92.5000112.8Y50Y50-N52 PolarHBondContact O-N 3.35Å
53L84.7Confident79.9Confident2 Ų256.5 Ų56.51%0.0129%0.293CS..  trans-97.1112.9177.2-72.6-176.1000111H8 V46 Y50 P51 V55 E168 I171 K172H8-L53 HydrophobicContact CB-CD2 3.99Å; V46-L53 HydrophobicContact CG1-CD1 4.13Å; Y50-L53 PolarHBondContact O-N 3.45Å; P51-L53 PolarHBondContact O-N 2.91Å; L53-V55 HydrophobicContact CB-CG2 4.2Å; L53-V55 PolarHBondContact O-N 3.23Å; L53-E168 HydrophobicContact CD1-CB 4.35Å; L53-E168 HydrophobicContact CD1-CG 3.82Å; L53-I171 HydrophobicContact CD1-CB 4.21Å; L53-I171 HydrophobicContact CD1-CG2 4Å; L53-I171 HydrophobicContact CD2-CG2 3.69Å; L53-I171 HydrophobicContact CG-CG2 4.42Å; L53-K172 HydrophobicContact CD2-CG 3.76Å; L53-K172 HydrophobicContact CG-CG 4.46Å
54N84.3Confident78.7Confident44 Ų4457.9 Ų57.924%0.23530%0.3CS..  trans-82.7107.7169.7-176.819.4000109.7Y6 H7 H8Y6-N54 PolarHBondContact O-ND2 3.44Å; H7-N54 CarbonylContact C-O 3.39Å; H7-N54 WeakPolarHBondContact CB-O 3.32Å; H7-N54 PolarHBondContact CE1-OD1 3.39Å; H7-N54 PolarHBondContact ND1-ND2 3.24Å; H7-N54 VanDerWaalsContact ND1-ND2 3.15Å; H7-N54 PolarHBondContact ND1-OD1 3.2Å; H8-N54 PolarHBondContact N-O 3.03Å; H8-N54 PolarHBondContact ND1-N 2.99Å
55V86.6Confident77.7Confident6 Ų659.7 Ų59.74%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-117.4128.9-177.3-175.30000110.8A9 I11 S43 V46 M47 L53A9-V55 HydrophobicContact CB-CG1 4.28Å; A9-V55 HydrophobicContact CB-CG2 4.5Å; A9-V55 WeakPolarHBondContact O-CA 3.43Å; I11-V55 HydrophobicContact CD1-CG1 3.64Å; I11-V55 HydrophobicContact CG1-CG1 3.92Å; S43-V55 PolarHBondContact OG-O 3.27Å; V46-V55 HydrophobicContact CG1-CG2 3.82Å; M47-V55 HydrophobicContact CG-CB 3.98Å; M47-V55 HydrophobicContact CG-CG2 4.32Å; M47-V55 HydrophobicContact SD-CB 4.34Å; L53-V55 HydrophobicContact CB-CG2 4.2Å; L53-V55 PolarHBondContact O-N 3.23Å
56L86.2Confident76.8Confident35 Ų3562 Ų6218%0.18332%0.318CS..EExtended strand (participates in β ladder)trans-93.9142.5174.7-177.261000110.1H7 A9 A10 I11 L58 Q82H7-L56 HydrophobicContact CB-CB 4.25Å; A9-L56 PolarHBondContact O-N 2.82Å; A10-L56 CarbonylContact C-O 3.56Å; A10-L56 WeakPolarHBondContact CA-O 3.31Å; A10-L56 HydrophobicContact CB-CB 4.2Å; A10-L56 HydrophobicContact CB-CD2 4.47Å; I11-L56 PolarHBondContact N-O 3.04Å; L56-L58 HydrophobicContact CD2-CD2 3.89Å; L56-L58 HydrophobicContact CD2-CG 4.27Å; L56-L58 HydrophobicContact CG-CD2 4.29Å; L56-L58 HydrophobicContact CG-CG 4.41Å; L56-Q82 HydrophobicContact CD2-CB 4.45Å
57C84.8Confident76.2Confident18 Ų1864.6 Ų64.612%0.12233%0.332CS..EExtended strand (participates in β ladder)trans-116.6120166.4-164.80000109.9R40 N59R40-C57 VanDerWaalsContact CA-SG 3.6Å; R40-C57 PolarHBondContact N-SG 2.91Å; R40-C57 VanDerWaalsContact N-SG 3.43Å; C57-N59 VanDerWaalsContact C-N 3.3Å; C57-N59 WeakPolarHBondContact CB-OD1 3.38Å; C57-N59 PolarHBondContact O-N 3.15Å; C57-N59 PolarHBondContact O-OD1 3.2Å; C57-N59 PolarHBondContact SG-OD1 2.88Å
58L79.1Confident75.8Confident29 Ų2961.7 Ų61.715%0.15232%0.318CS..  trans-84.776.1-177.9-71.7172.2000110.1A10 I11 L12 F16 L56 N60 L79A10-L58 HydrophobicContact CB-CD1 4.32Å; I11-L58 PolarHBondContact O-N 3.05Å; I11-L58 VanDerWaalsContact O-N 3.09Å; L12-L58 HydrophobicContact CD2-CB 4.07Å; L12-L58 HydrophobicContact CD2-CD1 3.52Å; L12-L58 HydrophobicContact CD2-CG 4.34Å; F16-L58 HydrophobicContact CE2-CD1 4.45Å; L56-L58 HydrophobicContact CD2-CD2 3.89Å; L56-L58 HydrophobicContact CD2-CG 4.27Å; L56-L58 HydrophobicContact CG-CD2 4.29Å; L56-L58 HydrophobicContact CG-CG 4.41Å; L58-N60 PolarHBondContact O-N 2.89Å; L58-L79 HydrophobicContact CD1-CD2 3.63Å
59N65.8Low75.6Confident63 Ų6356 Ų5634%0.33729%0.286SS..  trans-70.316.7-174.2-56.6-30.1000115.4C57C57-N59 VanDerWaalsContact C-N 3.3Å; C57-N59 WeakPolarHBondContact CB-OD1 3.38Å; C57-N59 PolarHBondContact O-N 3.15Å; C57-N59 PolarHBondContact O-OD1 3.2Å; C57-N59 PolarHBondContact SG-OD1 2.88Å
60N63.2Low75.2Confident89 Ų8956.7 Ų56.748%0.47630%0.301SS..  trans-153.175.3-163.3-113.2-23.6000111L58 T62 Y63L58-N60 PolarHBondContact O-N 2.89Å; N60-T62 PolarHBondContact O-N 3.17Å; N60-T62 PolarHBondContact OD1-OG1 3.17Å; N60-Y63 HydrophobicContact CB-CD2 3.8Å; N60-Y63 HydrophobicContact CB-CE2 4.34Å; N60-Y63 PolarHBondContact O-N 3.14Å
61S60.2Low74.6Confident7 Ų757.9 Ų57.95%0.04931%0.309CS..G310 helixtrans-54.7-17.8172.958.80000113.8R19R19-S61 WeakPolarHBondContact CD-O 3.24Å; R19-S61 PolarHBondContact NE-O 2.99Å; R19-S61 PolarHBondContact NH1-O 3.03Å
62T54.9Low74.5Confident67 Ų6753.3 Ų53.341%0.41128%0.28SS..G310 helixtrans-72.7-22.4-179.248.80000115.5N60N60-T62 PolarHBondContact O-N 3.17Å; N60-T62 PolarHBondContact OD1-OG1 3.17Å
63Y59.4Low74.3Confident154 Ų15450 Ų5060%0.60426%0.264SS*.G310 helixtrans-95.7-9-173.9-75-97.6000114.3N60N60-Y63 HydrophobicContact CB-CD2 3.8Å; N60-Y63 HydrophobicContact CB-CE2 4.34Å; N60-Y63 PolarHBondContact O-N 3.14Å
64M64.6Low73.9Confident33 Ų3352.6 Ų52.616%0.16327%0.274CS..SBendtrans-100.4142.8179-67.1-128.6151.800111.1F16 L68 C78 L79F16-M64 HydrophobicContact CE2-CB 4.06Å; F16-M64 HydrophobicContact CE2-CG 3.76Å; F16-M64 HydrophobicContact CE2-SD 3.77Å; F16-M64 HydrophobicContact CZ-CB 4.23Å; F16-M64 HydrophobicContact CZ-CG 4.07Å; F16-M64 HydrophobicContact CZ-SD 3.57Å; F16-M64 VanDerWaalsContact CZ-SD 3.57Å; M64-L68 HydrophobicContact CB-CD2 4.49Å; M64-L68 HydrophobicContact SD-CD2 3.7Å; M64-C78 HydrophobicContact CE-CB 3.99Å; M64-C78 HydrophobicContact SD-CB 4.22Å; M64-L79 HydrophobicContact SD-CD2 4.3Å
65K68Low73.8Confident116 Ų11650.5 Ų50.550%0.50426%0.263SS..  trans-66.4143.9-178.7-60.3-176.4177.4-178.30110.3D67 L68K65-D67 WeakPolarHBondContact CB-OD1 3.13Å; K65-D67 PolarHBondContact O-N 3.12Å; K65-L68 WeakPolarHBondContact O-CB 3.3Å; K65-L68 PolarHBondContact O-N 3.44Å; K65-L68 VanDerWaalsContact O-N 3.15Å
66N68.9Low73.4Confident100 Ų10052.4 Ų52.454%0.53527%0.273SS..THydrogen-bonded Turntrans-67.81.8177.3-61.81.7000113.7R19 Q20R19-N66 PolarHBondContact NE-OD1 3.13Å; R19-N66 PolarHBondContact NH2-OD1 2.86Å; Q20-N66 PolarHBondContact NE2-O 3.04Å; Q20-N66 PolarHBondContact OE1-O 3.38Å; Q20-N66 VanDerWaalsContact OE1-O 3.14Å
67D75.5Confident72.7Confident57 Ų5753.6 Ų53.631%0.30529%0.287SS..THydrogen-bonded Turntrans-121.123.5177.865.11.3000111.6K65 W69 S70 R74K65-D67 WeakPolarHBondContact CB-OD1 3.13Å; K65-D67 PolarHBondContact O-N 3.12Å; D67-W69 VanDerWaalsContact C-N 3.31Å; D67-W69 PolarHBondContact O-N 3.14Å; D67-S70 PolarHBondContact O-OG 3.01Å; D67-R74 WeakPolarHBondContact O-CD 3.25Å; D67-R74 IonicContact OD1-CZ 2.69Å; D67-R74 IonicContact OD1-NH1 3.32Å; D67-R74 PolarHBondContact OD1-NH1 2.94Å; D67-R74 IonicContact OD2-CZ 3.76Å; D67-R74 IonicContact OD2-NH1 3.64Å; D67-R74 PolarHBondContact OD2-NH1 3.4Å; D67-R74 IonicContact OD2-NH2 3.78Å
68L79.6Confident72.2Confident6 Ų654.8 Ų54.83%0.03130%0.295CS..G310 helixtrans-61.7-40.5178.217463.2000112F16 M64 K65 R74 I75 C78 L79F16-L68 HydrophobicContact CE1-CD2 3.61Å; F16-L68 HydrophobicContact CZ-CD2 3.41Å; F16-L68 VanDerWaalsContact CZ-CD2 3.41Å; M64-L68 HydrophobicContact CB-CD2 4.49Å; M64-L68 HydrophobicContact SD-CD2 3.7Å; K65-L68 WeakPolarHBondContact O-CB 3.3Å; K65-L68 PolarHBondContact O-N 3.44Å; K65-L68 VanDerWaalsContact O-N 3.15Å; L68-R74 HydrophobicContact CD1-CB 4.17Å; L68-I75 VanDerWaalsContact O-CG1 3.25Å; L68-I75 WeakPolarHBondContact O-CG1 3.32Å; L68-C78 HydrophobicContact CD1-CB 3.57Å; L68-L79 HydrophobicContact CD2-CD1 4.21Å; L68-L79 HydrophobicContact CD2-CG 4.3Å
69W82.6Confident72.3Confident11 Ų1153.4 Ų53.44%0.04229%0.288CS..G310 helixtrans-90.2-3.3-172.2-63.792000114.6L12 F16 Q20 D67 I75 L79 F101 C105 L106 F126L12-W69 HydrophobicContact CD1-CH2 4.04Å; L12-W69 HydrophobicContact CD1-CZ2 3.69Å; F16-W69 HydrophobicContact CD1-CZ2 4.2Å; F16-W69 AromaticContact CD1-NE1 3.95Å; F16-W69 AromaticContact CE1-CZ2 3.85Å; F16-W69 HydrophobicContact CE1-CZ2 3.85Å; F16-W69 AromaticContact CE1-NE1 3.61Å; Q20-W69 HydrophobicContact CG-CB 3.84Å; Q20-W69 HydrophobicContact CG-CG 3.94Å; D67-W69 VanDerWaalsContact C-N 3.31Å; D67-W69 PolarHBondContact O-N 3.14Å; W69-I75 HydrophobicContact CD2-CD1 4.41Å; W69-I75 HydrophobicContact CE3-CD1 3.66Å; W69-I75 HydrophobicContact CE3-CG1 4.36Å; W69-I75 HydrophobicContact CZ3-CD1 4.16Å; W69-L79 HydrophobicContact CH2-CD1 4.07Å; W69-L79 HydrophobicContact CZ2-CD1 4.04Å; W69-F101 AromaticContact CD2-CE2 3.68Å; W69-F101 HydrophobicContact CD2-CE2 3.68Å; W69-F101 AromaticContact CD2-CZ 3.65Å; W69-F101 HydrophobicContact CD2-CZ 3.65Å; W69-F101 AromaticContact CE2-CE2 3.73Å; W69-F101 AromaticContact CE2-CZ 3.55Å; W69-F101 HydrophobicContact CE3-CE2 4.11Å; W69-F101 AromaticContact CE3-CZ 3.72Å; W69-F101 HydrophobicContact CE3-CZ 3.72Å; W69-F101 AromaticContact CG-CE2 3.96Å; W69-F101 HydrophobicContact CG-CE2 3.96Å; W69-F101 HydrophobicContact CG-CZ 4.41Å; W69-F101 HydrophobicContact CH2-CE1 4.43Å; W69-F101 AromaticContact CH2-CZ 3.66Å; W69-F101 HydrophobicContact CH2-CZ 3.66Å; W69-F101 HydrophobicContact CZ2-CE2 4.21Å; W69-F101 AromaticContact CZ2-CZ 3.56Å; W69-F101 HydrophobicContact CZ2-CZ 3.56Å; W69-F101 AromaticContact CZ3-CZ 3.73Å; W69-F101 HydrophobicContact CZ3-CZ 3.73Å; W69-F101 AromaticContact NE1-CE2 3.96Å; W69-C105 HydrophobicContact CB-CB 4.12Å; W69-L106 HydrophobicContact CE3-CD2 4.24Å; W69-L106 HydrophobicContact CH2-CD2 4.43Å; W69-L106 HydrophobicContact CZ3-CD2 3.69Å; W69-F126 AromaticContact CH2-CE1 3.86Å; W69-F126 HydrophobicContact CH2-CE1 3.86Å; W69-F126 HydrophobicContact CH2-CZ 4.5Å; W69-F126 AromaticContact CZ3-CE1 3.78Å; W69-F126 HydrophobicContact CZ3-CE1 3.78Å; W69-F126 AromaticContact CZ3-CZ 4Å; W69-F126 HydrophobicContact CZ3-CZ 4Å
70S78.1Confident73.1Confident91 Ų9150.8 Ų50.864%0.63627%0.274SS*.G310 helixtrans-80.4-17178.759.20000113.7D67D67-S70 PolarHBondContact O-OG 3.01Å
71D75.8Confident73.7Confident51 Ų5149.6 Ų49.627%0.27327%0.273SS..  trans-138.8118.8-170.9174.1-3.3000109.8T73 R74 I75D71-T73 PolarHBondContact O-N 3.34Å; D71-T73 WeakPolarHBondContact OD1-CB 3.49Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.2Å; D71-T73 PolarHBondContact OD1-N 3.37Å; D71-T73 PolarHBondContact OD1-OG1 3.12Å; D71-T73 PolarHBondContact OD2-OG1 3.18Å; D71-R74 HydrophobicContact CB-CB 4.38Å; D71-R74 HydrophobicContact CB-CG 3.91Å; D71-R74 WeakPolarHBondContact O-CB 3.43Å; D71-R74 PolarHBondContact O-N 3.09Å; D71-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 IonicContact OD2-NE 3.34Å; D71-R74 PolarHBondContact OD2-NE 3.07Å; D71-I75 PolarHBondContact O-N 3.19Å
72S80.8Confident74.3Confident9 Ų952.1 Ų52.16%0.06328%0.284CS..Hα-helixtrans-60.4-30.9-179.654.60000112.2R74 I75 N76 G117 W122S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.14Å; S72-I75 PolarHBondContact O-N 2.93Å; S72-N76 PolarHBondContact O-N 3.42Å; S72-G117 WeakPolarHBondContact CB-O 3.41Å; S72-G117 PolarHBondContact OG-O 3.27Å; S72-W122 VanDerWaalsContact O-CH2 3.27Å; S72-W122 WeakPolarHBondContact O-CH2 3.38Å
73T77Confident75.6Confident62 Ų6249 Ų4938%0.3826%0.264SS..Hα-helixtrans-64.2-35.2176.673.20000112.1D71 N76 A77D71-T73 PolarHBondContact O-N 3.34Å; D71-T73 WeakPolarHBondContact OD1-CB 3.49Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.2Å; D71-T73 PolarHBondContact OD1-N 3.37Å; D71-T73 PolarHBondContact OD1-OG1 3.12Å; D71-T73 PolarHBondContact OD2-OG1 3.18Å; T73-N76 PolarHBondContact O-N 3.38Å; T73-A77 WeakPolarHBondContact O-CB 3.45Å; T73-A77 PolarHBondContact O-N 3.37Å
74R77.1Confident76.7Confident57 Ų5742.3 Ų42.322%0.21524%0.24CC..Hα-helixtrans-70.9-42176.6-61.8179.7-172.5-138.810.3112D67 L68 D71 S72 N76 A77 C78D67-R74 WeakPolarHBondContact O-CD 3.25Å; D67-R74 IonicContact OD1-CZ 2.69Å; D67-R74 IonicContact OD1-NH1 3.32Å; D67-R74 PolarHBondContact OD1-NH1 2.94Å; D67-R74 IonicContact OD2-CZ 3.76Å; D67-R74 IonicContact OD2-NH1 3.64Å; D67-R74 PolarHBondContact OD2-NH1 3.4Å; D67-R74 IonicContact OD2-NH2 3.78Å; L68-R74 HydrophobicContact CD1-CB 4.17Å; D71-R74 HydrophobicContact CB-CB 4.38Å; D71-R74 HydrophobicContact CB-CG 3.91Å; D71-R74 WeakPolarHBondContact O-CB 3.43Å; D71-R74 PolarHBondContact O-N 3.09Å; D71-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 IonicContact OD2-NE 3.34Å; D71-R74 PolarHBondContact OD2-NE 3.07Å; S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.14Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.28Å; R74-A77 PolarHBondContact O-N 3.16Å; R74-C78 VanDerWaalsContact O-CB 3.23Å; R74-C78 WeakPolarHBondContact O-CB 3.35Å; R74-C78 PolarHBondContact O-N 3.1Å; R74-C78 PolarHBondContact O-SG 3.49Å; R74-C78 VanDerWaalsContact O-SG 3.41Å
75I81.3Confident77.8Confident0 Ų041.4 Ų41.40%024%0.235CC..Hα-helixtrans-57.6-44.2171.7-59.8178.6000109.7L68 W69 D71 S72 L79 F80 L109 W122 F126L68-I75 VanDerWaalsContact O-CG1 3.25Å; L68-I75 WeakPolarHBondContact O-CG1 3.32Å; W69-I75 HydrophobicContact CD2-CD1 4.41Å; W69-I75 HydrophobicContact CE3-CD1 3.66Å; W69-I75 HydrophobicContact CE3-CG1 4.36Å; W69-I75 HydrophobicContact CZ3-CD1 4.16Å; D71-I75 PolarHBondContact O-N 3.19Å; S72-I75 PolarHBondContact O-N 2.93Å; I75-L79 HydrophobicContact CG2-CD1 4.36Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 PolarHBondContact O-N 3.43Å; I75-F80 HydrophobicContact CG2-CD2 3.97Å; I75-F80 HydrophobicContact CG2-CE2 3.71Å; I75-F80 HydrophobicContact CG2-CZ 4.49Å; I75-F80 PolarHBondContact O-N 3.3Å; I75-L109 HydrophobicContact CD1-CD1 3.84Å; I75-L109 HydrophobicContact CD1-CD2 3.4Å; I75-L109 VanDerWaalsContact CD1-CD2 3.4Å; I75-L109 HydrophobicContact CD1-CG 4.24Å; I75-W122 HydrophobicContact CB-CH2 4.49Å; I75-W122 HydrophobicContact CB-CZ3 4.06Å; I75-W122 HydrophobicContact CG2-CZ3 3.89Å; I75-F126 HydrophobicContact CG2-CZ 4.48Å
76N78.4Confident78.9Confident46 Ų4635.9 Ų35.925%0.24621%0.211CC..Iπ-helixtrans-63.6-47.7178.3-158.543.4000111.9S72 T73 R74 F80 S81 W122S72-N76 PolarHBondContact O-N 3.42Å; T73-N76 PolarHBondContact O-N 3.38Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.28Å; N76-F80 CarbonylContact O-C 3.5Å; N76-F80 PolarHBondContact O-N 3.14Å; N76-F80 WeakPolarHBondContact OD1-CB 3.37Å; N76-S81 PolarHBondContact O-N 3.13Å; N76-W122 HydrophobicContact CB-CH2 4.02Å; N76-W122 HydrophobicContact CB-CZ2 4.24Å
77A71.6Confident79.9Confident59 Ų5931.1 Ų31.149%0.48819%0.185SC..Iπ-helixtrans-70.2-29.9-177.400000114.3T73 R74 S81T73-A77 WeakPolarHBondContact O-CB 3.45Å; T73-A77 PolarHBondContact O-N 3.37Å; R74-A77 PolarHBondContact O-N 3.16Å; A77-S81 WeakPolarHBondContact O-CB 3.47Å; A77-S81 PolarHBondContact O-OG 3.46Å
78C73.6Confident80.7Confident43 Ų4328.4 Ų28.429%0.29117%0.171SC..Iπ-helixtrans-99.1-39.4-175.8-67.80000114.1M64 L68 R74 Q82M64-C78 HydrophobicContact CE-CB 3.99Å; M64-C78 HydrophobicContact SD-CB 4.22Å; L68-C78 HydrophobicContact CD1-CB 3.57Å; R74-C78 VanDerWaalsContact O-CB 3.23Å; R74-C78 WeakPolarHBondContact O-CB 3.35Å; R74-C78 PolarHBondContact O-N 3.1Å; R74-C78 PolarHBondContact O-SG 3.49Å; R74-C78 VanDerWaalsContact O-SG 3.41Å; C78-Q82 PolarHBondContact O-NE2 3.18Å
79L82.7Confident81.2Confident1 Ų128.2 Ų28.21%0.00517%0.17CC..Iπ-helixtrans-105.5-53-173.3-65.4-176.3000111.6L12 F16 L58 M64 L68 W69 I75 S81 Q82 A83 I86L12-L79 HydrophobicContact CD1-CD1 4.21Å; L12-L79 HydrophobicContact CD2-CD2 4.28Å; F16-L79 HydrophobicContact CE1-CD1 4.48Å; F16-L79 HydrophobicContact CZ-CD2 4.06Å; L58-L79 HydrophobicContact CD1-CD2 3.63Å; M64-L79 HydrophobicContact SD-CD2 4.3Å; L68-L79 HydrophobicContact CD2-CD1 4.21Å; L68-L79 HydrophobicContact CD2-CG 4.3Å; W69-L79 HydrophobicContact CH2-CD1 4.07Å; W69-L79 HydrophobicContact CZ2-CD1 4.04Å; I75-L79 HydrophobicContact CG2-CD1 4.36Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 PolarHBondContact O-N 3.43Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.8Å; L79-Q82 PolarHBondContact O-N 3.25Å; L79-Q82 VanDerWaalsContact O-N 3.08Å; L79-A83 PolarHBondContact O-N 3.13Å; L79-I86 HydrophobicContact CB-CD1 3.76Å; L79-I86 HydrophobicContact CB-CG1 4.29Å; L79-I86 HydrophobicContact CD1-CD1 4.48Å; L79-I86 HydrophobicContact CG-CD1 4.5Å
80F82.5Confident81.5Confident7 Ų727.7 Ų27.73%0.03117%0.168CC..Iπ-helixtrans-78.9-14.1-174.5-67.1-46.3000115.2Y6 I75 N76 Q82 A83 I86 W122 R125 F126Y6-F80 WeakPolarHBondContact CE2-O 3.37Å; Y6-F80 PolarHBondContact OH-O 3.04Å; I75-F80 HydrophobicContact CG2-CD2 3.97Å; I75-F80 HydrophobicContact CG2-CE2 3.71Å; I75-F80 HydrophobicContact CG2-CZ 4.49Å; I75-F80 PolarHBondContact O-N 3.3Å; N76-F80 CarbonylContact O-C 3.5Å; N76-F80 PolarHBondContact O-N 3.14Å; N76-F80 WeakPolarHBondContact OD1-CB 3.37Å; F80-Q82 VanDerWaalsContact C-N 3.27Å; F80-A83 WeakPolarHBondContact CA-O 3.29Å; F80-I86 HydrophobicContact CD1-CD1 4.43Å; F80-I86 HydrophobicContact CD1-CG1 3.91Å; F80-I86 HydrophobicContact CE1-CB 4.45Å; F80-I86 HydrophobicContact CE1-CD1 4.45Å; F80-I86 HydrophobicContact CE1-CG1 3.48Å; F80-I86 VanDerWaalsContact CE1-CG1 3.48Å; F80-I86 HydrophobicContact CZ-CG1 4.23Å; F80-W122 HydrophobicContact CD2-CD2 4.38Å; F80-W122 HydrophobicContact CD2-CE3 4.35Å; F80-W122 HydrophobicContact CD2-CH2 4.05Å; F80-W122 HydrophobicContact CD2-CZ2 4.13Å; F80-W122 HydrophobicContact CD2-CZ3 4.18Å; F80-W122 AromaticContact CE2-CD2 3.65Å; F80-W122 HydrophobicContact CE2-CD2 3.65Å; F80-W122 AromaticContact CE2-CE3 3.52Å; F80-W122 HydrophobicContact CE2-CE3 3.52Å; F80-W122 HydrophobicContact CE2-CG 4.24Å; F80-W122 HydrophobicContact CE2-CH2 4.02Å; F80-W122 HydrophobicContact CE2-CZ2 4.19Å; F80-W122 AromaticContact CE2-CZ3 3.7Å; F80-W122 HydrophobicContact CE2-CZ3 3.7Å; F80-W122 HydrophobicContact CZ-CD2 4.41Å; F80-W122 HydrophobicContact CZ-CE3 4.38Å; F80-R125 HydrophobicContact CE1-CB 3.64Å; F80-R125 HydrophobicContact CE1-CG 4.38Å; F80-R125 VanDerWaalsContact CG-NH1 3.26Å; F80-R125 HydrophobicContact CZ-CB 3.7Å; F80-R125 HydrophobicContact CZ-CG 4.42Å; F80-F126 HydrophobicContact CE2-CZ 4.24Å; F80-F126 HydrophobicContact CZ-CE1 4.23Å; F80-F126 AromaticContact CZ-CE2 3.98Å; F80-F126 HydrophobicContact CZ-CE2 3.98Å; F80-F126 AromaticContact CZ-CZ 3.72Å; F80-F126 HydrophobicContact CZ-CZ 3.72Å
81S74.8Confident81.8Confident65 Ų6524 Ų2446%0.45514%0.142SC..THydrogen-bonded Turntrans-69.9-24.116562.60000112.8N76 A77 L79N76-S81 PolarHBondContact O-N 3.13Å; A77-S81 WeakPolarHBondContact O-CB 3.47Å; A77-S81 PolarHBondContact O-OG 3.46Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.8Å
82Q72.9Confident82.1Confident60 Ų6024.8 Ų24.828%0.2815%0.146SC..THydrogen-bonded Turntrans-100-31.8-179-58.7-174.88.500112.4H7 L56 C78 L79 F80H7-Q82 WeakPolarHBondContact CB-O 3.29Å; H7-Q82 PolarHBondContact CD2-O 3.03Å; H7-Q82 PolarHBondContact N-O 3.16Å; L56-Q82 HydrophobicContact CD2-CB 4.45Å; C78-Q82 PolarHBondContact O-NE2 3.18Å; L79-Q82 PolarHBondContact O-N 3.25Å; L79-Q82 VanDerWaalsContact O-N 3.08Å; F80-Q82 VanDerWaalsContact C-N 3.27Å
83A82.5Confident82.1Confident0 Ų029.4 Ų29.40%017%0.17CC..EExtended strand (participates in β ladder)trans-144.6150.5-178.700000115.2Y6 H7 A10 L79 F80 R125Y6-A83 VanDerWaalsContact CZ-C 3.47Å; Y6-A83 VanDerWaalsContact OH-C 3.27Å; Y6-A83 PolarHBondContact OH-O 3.21Å; H7-A83 HydrophobicContact CB-CB 4.04Å; H7-A83 WeakPolarHBondContact O-CA 3.26Å; A10-A83 HydrophobicContact CB-CB 3.84Å; L79-A83 PolarHBondContact O-N 3.13Å; F80-A83 WeakPolarHBondContact CA-O 3.29Å; A83-R125 PolarHBondContact O-NH2 2.67Å
84S83.3Confident82.2Confident15 Ų1526.4 Ų26.411%0.10515%0.152CC..EExtended strand (participates in β ladder)trans-70.3-43.517541.70000112.8Y6 H7 H8 R125Y6-S84 WeakPolarHBondContact OH-CA 3.49Å; Y6-S84 PolarHBondContact OH-N 2.97Å; H7-S84 PolarHBondContact O-N 3.09Å; H7-S84 VanDerWaalsContact O-N 3.11Å; H8-S84 PolarHBondContact O-OG 3.48Å; S84-R125 PolarHBondContact O-NE 3.04Å; S84-R125 PolarHBondContact O-NH2 3.26Å; S84-R125 VanDerWaalsContact O-NH2 3.08Å
85R86.9Confident82.4Confident13 Ų1325.2 Ų25.25%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-113.1153.2177.4-58-65.7-170-169.2-0.3112.2H8 A9 A10 S124 R125 I127 D173 F174H8-R85 PolarHBondContact O-N 3.12Å; H8-R85 VanDerWaalsContact O-N 3.13Å; A9-R85 CarbonylContact C-O 3.5Å; A9-R85 VanDerWaalsContact CA-O 3.26Å; A9-R85 WeakPolarHBondContact CA-O 3.39Å; A9-R85 HydrophobicContact CB-CB 4.34Å; A10-R85 PolarHBondContact N-O 2.96Å; R85-S124 PolarHBondContact NH1-O 3.47Å; R85-S124 PolarHBondContact NH1-OG 3.29Å; R85-S124 VanDerWaalsContact NH1-OG 3.16Å; R85-R125 CarbonylContact C-O 3.58Å; R85-R125 VanDerWaalsContact CA-O 3.31Å; R85-R125 WeakPolarHBondContact CA-O 3.38Å; R85-I127 HydrophobicContact CB-CD1 4.02Å; R85-I127 HydrophobicContact CG-CD1 4.16Å; R85-D173 PolarHBondContact NE-O 2.97Å; R85-D173 PolarHBondContact NH2-O 3.21Å; R85-F174 PolarHBondContact NH2-O 3.47Å
86I90Very high82.4Confident0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-119.5120.1173.6-59.7-60.1000108.9A10 L12 L79 F80 L88 R125 F126 I127A10-I86 HydrophobicContact CB-CD1 3.87Å; A10-I86 WeakPolarHBondContact O-CA 3.34Å; L12-I86 HydrophobicContact CD1-CG2 3.48Å; L12-I86 VanDerWaalsContact CD1-CG2 3.48Å; L12-I86 HydrophobicContact CG-CG2 3.84Å; L79-I86 HydrophobicContact CB-CD1 3.76Å; L79-I86 HydrophobicContact CB-CG1 4.29Å; L79-I86 HydrophobicContact CD1-CD1 4.48Å; L79-I86 HydrophobicContact CG-CD1 4.5Å; F80-I86 HydrophobicContact CD1-CD1 4.43Å; F80-I86 HydrophobicContact CD1-CG1 3.91Å; F80-I86 HydrophobicContact CE1-CB 4.45Å; F80-I86 HydrophobicContact CE1-CD1 4.45Å; F80-I86 HydrophobicContact CE1-CG1 3.48Å; F80-I86 VanDerWaalsContact CE1-CG1 3.48Å; F80-I86 HydrophobicContact CZ-CG1 4.23Å; I86-L88 HydrophobicContact CG2-CD2 4.37Å; I86-R125 PolarHBondContact N-O 2.97Å; I86-F126 HydrophobicContact CB-CD1 3.85Å; I86-F126 HydrophobicContact CB-CE1 4.01Å; I86-F126 HydrophobicContact CG1-CE1 4.39Å; I86-F126 HydrophobicContact CG2-CD1 4.01Å; I86-F126 HydrophobicContact CG2-CE1 4.08Å; I86-F126 CarbonylContact O-C 3.57Å; I86-F126 WeakPolarHBondContact O-CA 3.38Å; I86-I127 PolarHBondContact O-N 3.13Å
87V91.5Very high82.5Confident0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-103113.3-176.91770000108.9A9 A10 I11 L12 I127 V129 L167 I171A9-V87 HydrophobicContact CB-CG2 3.97Å; A10-V87 PolarHBondContact O-N 3.3Å; I11-V87 CarbonylContact C-O 3.58Å; I11-V87 WeakPolarHBondContact CA-O 2.94Å; I11-V87 HydrophobicContact CG1-CB 3.86Å; I11-V87 HydrophobicContact CG1-CG1 4.05Å; I11-V87 HydrophobicContact CG1-CG2 4.49Å; L12-V87 PolarHBondContact N-O 3.07Å; V87-I127 CarbonylContact C-O 3.52Å; V87-I127 WeakPolarHBondContact CA-O 3.18Å; V87-I127 HydrophobicContact CG2-CB 4.2Å; V87-I127 HydrophobicContact CG2-CD1 4.18Å; V87-V129 HydrophobicContact CG1-CB 4.16Å; V87-V129 HydrophobicContact CG1-CG2 3.58Å; V87-L167 HydrophobicContact CG1-CD1 4.48Å; V87-L167 HydrophobicContact CG2-CD1 4.45Å; V87-I171 HydrophobicContact CG2-CD1 4.45Å; V87-I171 HydrophobicContact CG2-CG1 4.43Å
88L91.3Very high83.1Confident0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85.1113.9175.6-56.8176.8000108.9L12 I86 I98 F101 L106 I127 V129 I147L12-L88 HydrophobicContact CB-CD2 4.24Å; L12-L88 HydrophobicContact CD1-CD2 3.86Å; I86-L88 HydrophobicContact CG2-CD2 4.37Å; L88-I98 HydrophobicContact CD1-CD1 4.35Å; L88-F101 HydrophobicContact CD1-CE1 4.21Å; L88-F101 HydrophobicContact CD2-CE1 4.31Å; L88-L106 HydrophobicContact CD1-CD1 3.76Å; L88-I127 PolarHBondContact N-O 2.99Å; L88-V129 PolarHBondContact O-N 3.24Å; L88-I147 HydrophobicContact CD1-CD1 3.79Å
89F90.5Very high83.5Confident2 Ų228.9 Ų28.91%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-84.2121.8177-176.1-97.8000110.7I11 L12 P14 Y17 A38 A39 L42 P91 V129 I131I11-F89 HydrophobicContact CG2-CB 4.19Å; L12-F89 VanDerWaalsContact O-CB 3.31Å; L12-F89 WeakPolarHBondContact O-CB 3.45Å; L12-F89 PolarHBondContact O-N 3.48Å; P14-F89 WeakPolarHBondContact CD-O 3.39Å; P14-F89 HydrophobicContact CG-CD1 4.36Å; P14-F89 WeakPolarHBondContact CG-O 3.32Å; Y17-F89 PolarHBondContact OH-O 3.25Å; A38-F89 HydrophobicContact CB-CE1 3.72Å; A38-F89 HydrophobicContact CB-CZ 3.51Å; A39-F89 HydrophobicContact CB-CB 4.24Å; A39-F89 HydrophobicContact CB-CD1 4.22Å; A39-F89 HydrophobicContact CB-CG 4.09Å; L42-F89 HydrophobicContact CB-CE2 4.39Å; L42-F89 HydrophobicContact CD2-CD2 3.71Å; L42-F89 HydrophobicContact CD2-CE2 4.08Å; F89-P91 HydrophobicContact CE1-CB 4.21Å; F89-P91 HydrophobicContact CE1-CG 4.22Å; F89-V129 HydrophobicContact CD2-CG1 4.43Å; F89-I131 HydrophobicContact CE2-CD1 3.41Å; F89-I131 VanDerWaalsContact CE2-CD1 3.41Å; F89-I131 HydrophobicContact CE2-CG1 4.46Å; F89-I131 HydrophobicContact CZ-CD1 3.46Å; F89-I131 VanDerWaalsContact CZ-CD1 3.46Å
90I88.5Confident83.5Confident0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-128.595.3-171.9-52.4158.8000109.4I98 A128 V129 A130 I131 V134 V136I90-I98 HydrophobicContact CD1-CD1 3.93Å; I90-I98 HydrophobicContact CD1-CG1 3.73Å; I90-I98 HydrophobicContact CG1-CB 4.38Å; I90-I98 HydrophobicContact CG1-CD1 4.01Å; I90-I98 HydrophobicContact CG1-CG1 3.97Å; I90-I98 HydrophobicContact CG2-CB 4.17Å; I90-I98 HydrophobicContact CG2-CG1 4.46Å; I90-I98 HydrophobicContact CG2-CG2 3.8Å; I90-A128 HydrophobicContact CD1-CB 3.56Å; I90-V129 PolarHBondContact N-O 3.14Å; I90-A130 WeakPolarHBondContact O-CA 3.36Å; I90-I131 PolarHBondContact O-N 3.38Å; I90-V134 HydrophobicContact CG2-CB 4.33Å; I90-V134 HydrophobicContact CG2-CG1 3.69Å; I90-V134 HydrophobicContact CG2-CG2 4.25Å; I90-V136 HydrophobicContact CD1-CG1 4.29Å; I90-V136 HydrophobicContact CD1-CG2 3.79Å; I90-V136 HydrophobicContact CG2-CG2 4.42Å
91P85.6Confident83.7Confident13 Ų1333.1 Ų33.18%0.08417%0.174CC..  trans-77.9163.6171.833-36.2000112.5P14 F89 D93 A94 V134P14-P91 HydrophobicContact CG-CG 3.91Å; F89-P91 HydrophobicContact CE1-CB 4.21Å; F89-P91 HydrophobicContact CE1-CG 4.22Å; P91-D93 WeakPolarHBondContact CB-OD1 3.42Å; P91-D93 WeakPolarHBondContact CG-OD1 3.38Å; P91-D93 PolarHBondContact O-N 3.26Å; P91-D93 VanDerWaalsContact O-N 3.1Å; P91-A94 HydrophobicContact CG-CB 3.76Å; P91-A94 PolarHBondContact O-N 3.1Å; P91-V134 VanDerWaalsContact O-CG2 3.29Å; P91-V134 WeakPolarHBondContact O-CG2 3.23Å
92D81.9Confident84.1Confident68 Ų6830.1 Ų30.136%0.36415%0.153SC..G310 helixtrans-46.5-38.3-179.5-77.6-65.4000114.5G132 S133D92-G132 WeakPolarHBondContact OD1-CA 3.34Å; D92-S133 PolarHBondContact OD1-N 2.88Å; D92-S133 PolarHBondContact OD1-OG 3.14Å
93D80.3Confident84.5Confident106 Ų10635.6 Ų35.657%0.56717%0.171SC*.G310 helixtrans-89.2-2.2-176.652.1-4.3000115H35 P91H35-D93 VanDerWaalsContact CE1-CG 3.48Å; H35-D93 IonicContact CE1-OD1 2.7Å; H35-D93 PolarHBondContact CE1-OD1 3.41Å; H35-D93 IonicContact CE1-OD2 3.01Å; H35-D93 PolarHBondContact CE1-OD2 3.31Å; H35-D93 VanDerWaalsContact CE1-OD2 3.31Å; H35-D93 IonicContact ND1-OD1 3.75Å; H35-D93 IonicContact NE2-OD1 2.79Å; H35-D93 IonicContact NE2-OD2 3.11Å; P91-D93 WeakPolarHBondContact CB-OD1 3.42Å; P91-D93 WeakPolarHBondContact CG-OD1 3.38Å; P91-D93 PolarHBondContact O-N 3.26Å; P91-D93 VanDerWaalsContact O-N 3.1Å
94A79.6Confident84.5Confident0 Ų040.5 Ų40.50%019%0.194CC..G310 helixtrans-10215.4179.100000114.4P14 P91 E96 H97 I98P14-A94 HydrophobicContact CB-CB 4.25Å; P14-A94 HydrophobicContact CG-CB 4.14Å; P91-A94 HydrophobicContact CG-CB 3.76Å; P91-A94 PolarHBondContact O-N 3.1Å; A94-E96 PolarHBondContact O-N 2.82Å; A94-H97 PolarHBondContact O-N 3.32Å; A94-I98 PolarHBondContact O-N 3.45Å
95A81.3Confident84.5Confident32 Ų3240.5 Ų40.526%0.26419%0.194SC..Hα-helixtrans-57.8-41.5-17600000113.8I98 T99 V134A95-I98 VanDerWaalsContact O-CG2 3.26Å; A95-I98 WeakPolarHBondContact O-CG2 3.43Å; A95-T99 WeakPolarHBondContact O-CB 3.27Å; A95-T99 PolarHBondContact O-N 3.5Å; A95-T99 VanDerWaalsContact O-N 3.09Å; A95-T99 PolarHBondContact O-OG1 3.29Å; A95-V134 HydrophobicContact CB-CG1 3.97Å
96E79.7Confident84.4Confident152 Ų15239.9 Ų39.971%0.7119%0.192SC*.Hα-helixtrans-67.5-46.4176.7-63.6-172.6173.800111.4A94 I98 T99 Y100A94-E96 PolarHBondContact O-N 2.82Å; E96-I98 PolarHBondContact O-N 3.04Å; E96-T99 PolarHBondContact O-N 3.38Å; E96-T99 VanDerWaalsContact O-N 3.16Å; E96-Y100 PolarHBondContact O-N 3.42Å
97H81.3Confident84Confident36 Ų3643.1 Ų43.117%0.16721%0.206CC..Hα-helixtrans-59.1-45.3-179.7-55.4156.1000111.7Y17 Y22 Y32 A94 F101Y17-H97 HydrophobicContact CD2-CB 4.24Å; Y17-H97 HydrophobicContact CE2-CB 3.67Å; Y22-H97 HydrophobicContact CE2-CB 4.34Å; Y22-H97 AromaticContact CE2-CD2 3.41Å; Y22-H97 VanDerWaalsContact CE2-CD2 3.41Å; Y22-H97 WeakPolarHBondContact CE2-CD2 3.25Å; Y22-H97 AromaticContact CZ-CD2 3.76Å; Y32-H97 AromaticContact CZ-CE1 3.89Å; Y32-H97 PolarHBondContact OH-CE1 3.13Å; Y32-H97 PolarHBondContact OH-NE2 3.37Å; A94-H97 PolarHBondContact O-N 3.32Å; H97-F101 WeakPolarHBondContact O-CB 3.5Å; H97-F101 PolarHBondContact O-N 3.14Å
98I84.3Confident83.6Confident1 Ų144.8 Ų44.81%0.00522%0.217CC..Hα-helixtrans-68.9-38.9177.3-170.765.7000111Y17 L88 I90 A94 A95 E96 Y100 F101 S102Y17-I98 HydrophobicContact CE2-CB 4.25Å; Y17-I98 HydrophobicContact CE2-CD1 4.47Å; L88-I98 HydrophobicContact CD1-CD1 4.35Å; I90-I98 HydrophobicContact CD1-CD1 3.93Å; I90-I98 HydrophobicContact CD1-CG1 3.73Å; I90-I98 HydrophobicContact CG1-CB 4.38Å; I90-I98 HydrophobicContact CG1-CD1 4.01Å; I90-I98 HydrophobicContact CG1-CG1 3.97Å; I90-I98 HydrophobicContact CG2-CB 4.17Å; I90-I98 HydrophobicContact CG2-CG1 4.46Å; I90-I98 HydrophobicContact CG2-CG2 3.8Å; A94-I98 PolarHBondContact O-N 3.45Å; A95-I98 VanDerWaalsContact O-CG2 3.26Å; A95-I98 WeakPolarHBondContact O-CG2 3.43Å; E96-I98 PolarHBondContact O-N 3.04Å; I98-Y100 PolarHBondContact O-N 3.33Å; I98-F101 HydrophobicContact CD1-CD1 4.1Å; I98-F101 PolarHBondContact O-N 3.23Å; I98-S102 WeakPolarHBondContact O-CB 3.35Å; I98-S102 PolarHBondContact O-N 3.15Å; I98-S102 PolarHBondContact O-OG 3.31Å
99T81.2Confident83.2Confident36 Ų3645.3 Ų45.322%0.22122%0.22CC..Hα-helixtrans-63.3-43.9179.3-61.30000111.6A95 E96 R103A95-T99 WeakPolarHBondContact O-CB 3.27Å; A95-T99 PolarHBondContact O-N 3.5Å; A95-T99 VanDerWaalsContact O-N 3.09Å; A95-T99 PolarHBondContact O-OG1 3.29Å; E96-T99 PolarHBondContact O-N 3.38Å; E96-T99 VanDerWaalsContact O-N 3.16Å; T99-R103 WeakPolarHBondContact O-CG 3.43Å; T99-R103 PolarHBondContact O-N 3.47Å
100Y83.4Confident82.9Confident97 Ų9745.4 Ų45.438%0.3822%0.221SC..Hα-helixtrans-65.9-50.6176-169.7-82.4000111.2C21 E96 I98 S102 R103 H104C21-Y100 HydrophobicContact CB-CD1 3.56Å; C21-Y100 HydrophobicContact CB-CE1 3.86Å; E96-Y100 PolarHBondContact O-N 3.42Å; I98-Y100 PolarHBondContact O-N 3.33Å; Y100-S102 VanDerWaalsContact C-N 3.27Å; Y100-S102 PolarHBondContact O-N 2.88Å; Y100-R103 PolarHBondContact O-N 3.15Å; Y100-R103 VanDerWaalsContact O-N 3.13Å; Y100-H104 HydrophobicContact CD1-CB 4.3Å; Y100-H104 AromaticContact CD1-CD2 3.61Å; Y100-H104 AromaticContact CD2-CD2 3.53Å; Y100-H104 AromaticContact CD2-NE2 3.77Å; Y100-H104 HydrophobicContact CE1-CB 3.98Å; Y100-H104 AromaticContact CE1-CD2 3.5Å; Y100-H104 VanDerWaalsContact CE1-CD2 3.5Å; Y100-H104 WeakPolarHBondContact CE1-CD2 3.44Å; Y100-H104 AromaticContact CE1-CG 3.8Å; Y100-H104 AromaticContact CE2-CD2 3.39Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.48Å; Y100-H104 AromaticContact CE2-NE2 3.42Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.44Å; Y100-H104 AromaticContact CG-CD2 3.64Å; Y100-H104 AromaticContact CZ-CD2 3.38Å; Y100-H104 AromaticContact CZ-CG 3.83Å; Y100-H104 AromaticContact CZ-NE2 3.73Å; Y100-H104 PolarHBondContact O-CD2 3.49Å; Y100-H104 VanDerWaalsContact O-CD2 3.27Å; Y100-H104 PolarHBondContact O-N 2.91Å
101F86.5Confident82.5Confident0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-56.9-40.7177.2177.2-112.3000112.9Y17 W69 L88 H97 I98 R103 C105 L106Y17-F101 HydrophobicContact CD2-CB 4.12Å; Y17-F101 HydrophobicContact CD2-CD1 4.47Å; Y17-F101 HydrophobicContact CD2-CG 4.28Å; Y17-F101 HydrophobicContact CG-CD1 4.2Å; Y17-F101 HydrophobicContact CG-CG 4.23Å; W69-F101 AromaticContact CD2-CE2 3.68Å; W69-F101 HydrophobicContact CD2-CE2 3.68Å; W69-F101 AromaticContact CD2-CZ 3.65Å; W69-F101 HydrophobicContact CD2-CZ 3.65Å; W69-F101 AromaticContact CE2-CE2 3.73Å; W69-F101 AromaticContact CE2-CZ 3.55Å; W69-F101 HydrophobicContact CE3-CE2 4.11Å; W69-F101 AromaticContact CE3-CZ 3.72Å; W69-F101 HydrophobicContact CE3-CZ 3.72Å; W69-F101 AromaticContact CG-CE2 3.96Å; W69-F101 HydrophobicContact CG-CE2 3.96Å; W69-F101 HydrophobicContact CG-CZ 4.41Å; W69-F101 HydrophobicContact CH2-CE1 4.43Å; W69-F101 AromaticContact CH2-CZ 3.66Å; W69-F101 HydrophobicContact CH2-CZ 3.66Å; W69-F101 HydrophobicContact CZ2-CE2 4.21Å; W69-F101 AromaticContact CZ2-CZ 3.56Å; W69-F101 HydrophobicContact CZ2-CZ 3.56Å; W69-F101 AromaticContact CZ3-CZ 3.73Å; W69-F101 HydrophobicContact CZ3-CZ 3.73Å; W69-F101 AromaticContact NE1-CE2 3.96Å; L88-F101 HydrophobicContact CD1-CE1 4.21Å; L88-F101 HydrophobicContact CD2-CE1 4.31Å; H97-F101 WeakPolarHBondContact O-CB 3.5Å; H97-F101 PolarHBondContact O-N 3.14Å; I98-F101 HydrophobicContact CD1-CD1 4.1Å; I98-F101 PolarHBondContact O-N 3.23Å; F101-R103 PolarHBondContact O-N 3.3Å; F101-C105 HydrophobicContact CD2-CB 3.54Å; F101-C105 HydrophobicContact CE2-CB 3.44Å; F101-C105 VanDerWaalsContact CE2-CB 3.44Å; F101-C105 HydrophobicContact CG-CB 4.41Å; F101-C105 HydrophobicContact CZ-CB 4.25Å; F101-C105 WeakPolarHBondContact O-CA 3.46Å; F101-C105 WeakPolarHBondContact O-CB 3.21Å; F101-C105 PolarHBondContact O-N 3.47Å; F101-L106 HydrophobicContact CD1-CD1 3.85Å; F101-L106 HydrophobicContact CD1-CG 4Å; F101-L106 HydrophobicContact CE1-CD1 3.55Å; F101-L106 HydrophobicContact CE1-CD2 3.9Å; F101-L106 HydrophobicContact CE1-CG 3.52Å; F101-L106 HydrophobicContact CZ-CD1 4.45Å; F101-L106 HydrophobicContact CZ-CD2 4.02Å; F101-L106 HydrophobicContact CZ-CG 3.95Å; F101-L106 PolarHBondContact O-N 3.27Å; F101-L106 VanDerWaalsContact O-N 3.12Å
102S83.7Confident82.2Confident2 Ų253 Ų531%0.01425%0.254CS..Iπ-helixtrans-59.5-44.8176.8-64.30000111.9I98 Y100 H107 F146I98-S102 WeakPolarHBondContact O-CB 3.35Å; I98-S102 PolarHBondContact O-N 3.15Å; I98-S102 PolarHBondContact O-OG 3.31Å; Y100-S102 VanDerWaalsContact C-N 3.27Å; Y100-S102 PolarHBondContact O-N 2.88Å; S102-H107 VanDerWaalsContact O-CB 3.25Å; S102-H107 WeakPolarHBondContact O-CB 3.23Å; S102-H107 PolarHBondContact O-N 2.99Å; S102-F146 VanDerWaalsContact CB-CZ 3.45Å; S102-F146 WeakPolarHBondContact OG-CZ 3.37Å
103R81.3Confident82Confident174 Ų17452 Ų5266%0.65725%0.253SS*.Iπ-helixtrans-76.8-39.6-178.5-70.4175.1179.31691.7113.4T99 Y100 F101 P108T99-R103 WeakPolarHBondContact O-CG 3.43Å; T99-R103 PolarHBondContact O-N 3.47Å; Y100-R103 PolarHBondContact O-N 3.15Å; Y100-R103 VanDerWaalsContact O-N 3.13Å; F101-R103 PolarHBondContact O-N 3.3Å; R103-P108 WeakPolarHBondContact O-CD 3.27Å
104H82.2Confident82Confident104 Ų10453.5 Ų53.548%0.48125%0.25SS..Iπ-helixtrans-97.3-22.4-170.2-67.3-76000114.4Y100Y100-H104 HydrophobicContact CD1-CB 4.3Å; Y100-H104 AromaticContact CD1-CD2 3.61Å; Y100-H104 AromaticContact CD2-CD2 3.53Å; Y100-H104 AromaticContact CD2-NE2 3.77Å; Y100-H104 HydrophobicContact CE1-CB 3.98Å; Y100-H104 AromaticContact CE1-CD2 3.5Å; Y100-H104 VanDerWaalsContact CE1-CD2 3.5Å; Y100-H104 WeakPolarHBondContact CE1-CD2 3.44Å; Y100-H104 AromaticContact CE1-CG 3.8Å; Y100-H104 AromaticContact CE2-CD2 3.39Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.48Å; Y100-H104 AromaticContact CE2-NE2 3.42Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.44Å; Y100-H104 AromaticContact CG-CD2 3.64Å; Y100-H104 AromaticContact CZ-CD2 3.38Å; Y100-H104 AromaticContact CZ-CG 3.83Å; Y100-H104 AromaticContact CZ-NE2 3.73Å; Y100-H104 PolarHBondContact O-CD2 3.49Å; Y100-H104 VanDerWaalsContact O-CD2 3.27Å; Y100-H104 PolarHBondContact O-N 2.91Å
105C84.5Confident81.7Confident15 Ų1560.6 Ų60.610%0.10129%0.288CS..Iπ-helixtrans-116.8-55.8-179.6-610000112.5Q20 W69 F101 L109Q20-C105 VanDerWaalsContact CG-SG 3.55Å; W69-C105 HydrophobicContact CB-CB 4.12Å; F101-C105 HydrophobicContact CD2-CB 3.54Å; F101-C105 HydrophobicContact CE2-CB 3.44Å; F101-C105 VanDerWaalsContact CE2-CB 3.44Å; F101-C105 HydrophobicContact CG-CB 4.41Å; F101-C105 HydrophobicContact CZ-CB 4.25Å; F101-C105 WeakPolarHBondContact O-CA 3.46Å; F101-C105 WeakPolarHBondContact O-CB 3.21Å; F101-C105 PolarHBondContact O-N 3.47Å; C105-L109 WeakPolarHBondContact O-CB 3.48Å; C105-L109 PolarHBondContact O-N 2.9Å
106L84.1Confident81.4Confident0 Ų065.2 Ų65.20%030%0.304CS..Iπ-helixtrans-72.9-40.3-175.2-66.4175.9000113.3W69 L88 F101 L109 L110 F126 F146W69-L106 HydrophobicContact CE3-CD2 4.24Å; W69-L106 HydrophobicContact CH2-CD2 4.43Å; W69-L106 HydrophobicContact CZ3-CD2 3.69Å; L88-L106 HydrophobicContact CD1-CD1 3.76Å; F101-L106 HydrophobicContact CD1-CD1 3.85Å; F101-L106 HydrophobicContact CD1-CG 4Å; F101-L106 HydrophobicContact CE1-CD1 3.55Å; F101-L106 HydrophobicContact CE1-CD2 3.9Å; F101-L106 HydrophobicContact CE1-CG 3.52Å; F101-L106 HydrophobicContact CZ-CD1 4.45Å; F101-L106 HydrophobicContact CZ-CD2 4.02Å; F101-L106 HydrophobicContact CZ-CG 3.95Å; F101-L106 PolarHBondContact O-N 3.27Å; F101-L106 VanDerWaalsContact O-N 3.12Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.83Å; L106-L109 VanDerWaalsContact O-N 3.16Å; L106-L110 HydrophobicContact CB-CD1 4.47Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 WeakPolarHBondContact O-CG 3.42Å; L106-L110 PolarHBondContact O-N 3.36Å; L106-F126 HydrophobicContact CD2-CD1 4.49Å; L106-F126 HydrophobicContact CD2-CE1 4.33Å; L106-F126 HydrophobicContact CD2-CZ 4.39Å; L106-F146 HydrophobicContact CD1-CE1 4.4Å; L106-F146 HydrophobicContact CD1-CZ 3.85Å
107H82.1Confident81.1Confident67 Ų6759.7 Ų59.731%0.3129%0.289SS..Hα-helixtrans-63.6-47.1-179178.8-75.4000112.8S102 L109 L110 C111 L140S102-H107 VanDerWaalsContact O-CB 3.25Å; S102-H107 WeakPolarHBondContact O-CB 3.23Å; S102-H107 PolarHBondContact O-N 2.99Å; H107-L109 PolarHBondContact O-N 2.96Å; H107-L110 PolarHBondContact O-N 2.62Å; H107-C111 PolarHBondContact CD2-SG 3.48Å; H107-C111 PolarHBondContact NE2-SG 3.13Å; H107-C111 VanDerWaalsContact NE2-SG 3.39Å; H107-C111 VanDerWaalsContact O-CB 3.28Å; H107-C111 WeakPolarHBondContact O-CB 3.33Å; H107-C111 PolarHBondContact O-N 3.49Å; H107-L140 HydrophobicContact CB-CD2 3.63Å; H107-L140 PolarHBondContact CD2-O 3.44Å
108P81.8Confident80.9Confident35 Ų3558 Ų5823%0.22728%0.281CS..Hα-helixtrans-57.4-36.3170.7-26.836.2000113.4R103 R112R103-P108 WeakPolarHBondContact O-CD 3.27Å; P108-R112 VanDerWaalsContact O-CB 3.28Å; P108-R112 WeakPolarHBondContact O-CB 3.48Å; P108-R112 VanDerWaalsContact O-CD 3.31Å; P108-R112 WeakPolarHBondContact O-CD 3.48Å; P108-R112 WeakPolarHBondContact O-CG 3.45Å
109L84.3Confident80.8Confident11 Ų1160.4 Ų60.46%0.05829%0.29CS..Hα-helixtrans-70.3-41.1178.6-177.968.3000112.9I75 C105 L106 H107 G118 R119 W122 F126I75-L109 HydrophobicContact CD1-CD1 3.84Å; I75-L109 HydrophobicContact CD1-CD2 3.4Å; I75-L109 VanDerWaalsContact CD1-CD2 3.4Å; I75-L109 HydrophobicContact CD1-CG 4.24Å; C105-L109 WeakPolarHBondContact O-CB 3.48Å; C105-L109 PolarHBondContact O-N 2.9Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.83Å; L106-L109 VanDerWaalsContact O-N 3.16Å; H107-L109 PolarHBondContact O-N 2.96Å; L109-G118 CarbonylContact O-C 3.54Å; L109-G118 WeakPolarHBondContact O-CA 3.48Å; L109-R119 PolarHBondContact O-N 3.08Å; L109-W122 HydrophobicContact CD1-CE3 4.13Å; L109-W122 HydrophobicContact CD1-CZ3 3.99Å; L109-W122 HydrophobicContact CD2-CE3 4.19Å; L109-W122 HydrophobicContact CD2-CZ3 4.46Å; L109-W122 HydrophobicContact CG-CE3 4.32Å; L109-F126 HydrophobicContact CD2-CE2 4.01Å; L109-F126 HydrophobicContact CD2-CZ 3.95Å
110L83.6Confident80.6Confident4 Ų461.5 Ų61.52%0.02130%0.297CS..Hα-helixtrans-99.1-19-169.3-65.6177.2000114.4L106 H107 P120 W122 F126 L140 I147L106-L110 HydrophobicContact CB-CD1 4.47Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 WeakPolarHBondContact O-CG 3.42Å; L106-L110 PolarHBondContact O-N 3.36Å; H107-L110 PolarHBondContact O-N 2.62Å; L110-P120 VanDerWaalsContact O-CA 3.27Å; L110-P120 WeakPolarHBondContact O-CA 3.49Å; L110-P120 WeakPolarHBondContact O-CB 3.41Å; L110-W122 HydrophobicContact CD2-CB 3.91Å; L110-F126 HydrophobicContact CD1-CD2 4.25Å; L110-F126 HydrophobicContact CD2-CD2 4.17Å; L110-F126 HydrophobicContact CD2-CE2 4.13Å; L110-L140 HydrophobicContact CB-CD1 3.54Å; L110-L140 HydrophobicContact CD1-CD1 3.94Å; L110-L140 HydrophobicContact CG-CD1 4.4Å; L110-I147 HydrophobicContact CD1-CG2 4Å
111C80.1Confident80.3Confident46 Ų4658.7 Ų58.731%0.31129%0.288SS..Hα-helixtrans-102.6-22.1-179.6-63.60000114.7H107H107-C111 PolarHBondContact CD2-SG 3.48Å; H107-C111 PolarHBondContact NE2-SG 3.13Å; H107-C111 VanDerWaalsContact NE2-SG 3.39Å; H107-C111 VanDerWaalsContact O-CB 3.28Å; H107-C111 WeakPolarHBondContact O-CB 3.33Å; H107-C111 PolarHBondContact O-N 3.49Å
112R79.5Confident80.2Confident128 Ų12859.3 Ų59.348%0.48329%0.29SS..SBendtrans-73.3153179.6-73.1-178.2177.6175.8-0.7111.7P108 Q116P108-R112 VanDerWaalsContact O-CB 3.28Å; P108-R112 WeakPolarHBondContact O-CB 3.48Å; P108-R112 VanDerWaalsContact O-CD 3.31Å; P108-R112 WeakPolarHBondContact O-CD 3.48Å; P108-R112 WeakPolarHBondContact O-CG 3.45Å; R112-Q116 HydrophobicContact CB-CB 3.95Å; R112-Q116 HydrophobicContact CG-CB 4.41Å
113S77.1Confident80Confident47 Ų4762.7 Ų62.733%0.32931%0.305SS..  trans-64.5162.6172.681.80000111.5D115 Q116 G118S113-D115 PolarHBondContact O-N 3.35Å; S113-D115 PolarHBondContact OG-N 3.15Å; S113-D115 PolarHBondContact OG-OD2 3.41Å; S113-Q116 PolarHBondContact O-N 3.02Å; S113-Q116 VanDerWaalsContact O-N 3.12Å; S113-Q116 PolarHBondContact OG-N 3.15Å; S113-G118 WeakPolarHBondContact O-CA 3.45Å; S113-G118 PolarHBondContact O-N 3.43Å
114R79.8Confident79.8Confident136 Ų13655.5 Ų55.551%0.51328%0.282SS..THydrogen-bonded Turntrans-56.5-36.2177.2-164.8-171.9-175.5131.2-13.4112.2G117 G118 R119 E179R114-G117 PolarHBondContact O-N 3.29Å; R114-G118 WeakPolarHBondContact CA-O 3.38Å; R114-R119 PolarHBondContact O-NH1 3.16Å; R114-E179 IonicContact CZ-OE1 3.87Å; R114-E179 IonicContact NH1-OE1 3.39Å; R114-E179 PolarHBondContact NH1-OE1 3.01Å; R114-E179 IonicContact NH2-OE1 2.61Å; R114-E179 PolarHBondContact NH2-OE1 3.1Å
115D74.2Confident79.9Confident150 Ų15051 Ų5180%0.80226%0.261SS*.THydrogen-bonded Turntrans-72.8-30.6-178.4-33.3-66.1000112S113 G117S113-D115 PolarHBondContact O-N 3.35Å; S113-D115 PolarHBondContact OG-N 3.15Å; S113-D115 PolarHBondContact OG-OD2 3.41Å; D115-G117 PolarHBondContact O-N 2.66Å
116Q74.2Confident80.1Confident128 Ų12850.3 Ų50.360%0.59826%0.256SS*.THydrogen-bonded Turntrans-82.513.6172.3-66.6177.2-1.300113R112 S113 G118R112-Q116 HydrophobicContact CB-CB 3.95Å; R112-Q116 HydrophobicContact CG-CB 4.41Å; S113-Q116 PolarHBondContact O-N 3.02Å; S113-Q116 VanDerWaalsContact O-N 3.12Å; S113-Q116 PolarHBondContact OG-N 3.15Å; Q116-G118 VanDerWaalsContact C-N 3.28Å; Q116-G118 PolarHBondContact O-N 2.94Å
117G73.3Confident80.3Confident37 Ų3750.3 Ų50.338%0.38126%0.256SS..THydrogen-bonded Turntrans81.5-3.4-178.400000115.4S72 R114 D115S72-G117 WeakPolarHBondContact CB-O 3.41Å; S72-G117 PolarHBondContact OG-O 3.27Å; R114-G117 PolarHBondContact O-N 3.29Å; D115-G117 PolarHBondContact O-N 2.66Å
118G78.7Confident80.6Confident0 Ų047.1 Ų47.10%024%0.241CC..  trans-73165.3178.800000113.8L109 S113 R114 Q116L109-G118 CarbonylContact O-C 3.54Å; L109-G118 WeakPolarHBondContact O-CA 3.48Å; S113-G118 WeakPolarHBondContact O-CA 3.45Å; S113-G118 PolarHBondContact O-N 3.43Å; R114-G118 WeakPolarHBondContact CA-O 3.38Å; Q116-G118 VanDerWaalsContact C-N 3.28Å; Q116-G118 PolarHBondContact O-N 2.94Å
119R81.9Confident81Confident52 Ų5245.5 Ų45.520%0.19623%0.231CC..  trans-145.567.1-177-63.7-67.4-180-95.95.5110.2L109 R114 E121 W122L109-R119 PolarHBondContact O-N 3.08Å; R114-R119 PolarHBondContact O-NH1 3.16Å; R119-E121 WeakPolarHBondContact CA-OE2 3.39Å; R119-E121 WeakPolarHBondContact CD-OE1 3.42Å; R119-E121 PolarHBondContact O-N 3.34Å; R119-E121 VanDerWaalsContact O-N 3.16Å; R119-W122 HydrophobicContact CB-CB 4.32Å; R119-W122 HydrophobicContact CB-CD2 3.36Å; R119-W122 HydrophobicContact CB-CE3 3.55Å; R119-W122 HydrophobicContact CB-CG 3.7Å; R119-W122 HydrophobicContact CB-CH2 4.48Å; R119-W122 HydrophobicContact CB-CZ2 4.29Å; R119-W122 HydrophobicContact CB-CZ3 4.14Å; R119-W122 HydrophobicContact CG-CD2 3.83Å; R119-W122 HydrophobicContact CG-CE3 3.87Å; R119-W122 HydrophobicContact CG-CH2 3.91Å; R119-W122 HydrophobicContact CG-CZ2 3.81Å; R119-W122 HydrophobicContact CG-CZ3 3.93Å; R119-W122 VanDerWaalsContact O-CB 3.3Å; R119-W122 WeakPolarHBondContact O-CB 3.47Å; R119-W122 PolarHBondContact O-N 3.08Å
120P76.7Confident81.2Confident58 Ų5845 Ų4538%0.37723%0.228SC..G310 helixtrans-58.2-26.8-179.424.4-34.9000113.6L110 W122 H123L110-P120 VanDerWaalsContact O-CA 3.27Å; L110-P120 WeakPolarHBondContact O-CA 3.49Å; L110-P120 WeakPolarHBondContact O-CB 3.41Å; P120-W122 PolarHBondContact O-N 3.2Å; P120-W122 VanDerWaalsContact O-N 3.14Å; P120-H123 PolarHBondContact O-N 2.87Å; P120-H123 PolarHBondContact O-ND1 3.46Å
121E77.4Confident81.2Confident39 Ų3945.3 Ų45.318%0.18223%0.23CC..G310 helixtrans-63.9-13.4173.772.3-77.9-172.900113.9R119 W175 P178R119-E121 WeakPolarHBondContact CA-OE2 3.39Å; R119-E121 WeakPolarHBondContact CD-OE1 3.42Å; R119-E121 PolarHBondContact O-N 3.34Å; R119-E121 VanDerWaalsContact O-N 3.16Å; E121-W175 HydrophobicContact CB-CZ2 4.47Å; E121-W175 HydrophobicContact CG-CZ2 3.96Å; E121-W175 PolarHBondContact O-NE1 3.25Å; E121-P178 HydrophobicContact CB-CG 3.85Å
122W84.3Confident81.1Confident12 Ų1244.1 Ų44.15%0.04523%0.225CC..G310 helixtrans-85.1-5.2176.5-65.3-3.5000114.8S72 I75 N76 F80 L109 L110 R119 P120 S124 R125 F126 W175S72-W122 VanDerWaalsContact O-CH2 3.27Å; S72-W122 WeakPolarHBondContact O-CH2 3.38Å; I75-W122 HydrophobicContact CB-CH2 4.49Å; I75-W122 HydrophobicContact CB-CZ3 4.06Å; I75-W122 HydrophobicContact CG2-CZ3 3.89Å; N76-W122 HydrophobicContact CB-CH2 4.02Å; N76-W122 HydrophobicContact CB-CZ2 4.24Å; F80-W122 HydrophobicContact CD2-CD2 4.38Å; F80-W122 HydrophobicContact CD2-CE3 4.35Å; F80-W122 HydrophobicContact CD2-CH2 4.05Å; F80-W122 HydrophobicContact CD2-CZ2 4.13Å; F80-W122 HydrophobicContact CD2-CZ3 4.18Å; F80-W122 AromaticContact CE2-CD2 3.65Å; F80-W122 HydrophobicContact CE2-CD2 3.65Å; F80-W122 AromaticContact CE2-CE3 3.52Å; F80-W122 HydrophobicContact CE2-CE3 3.52Å; F80-W122 HydrophobicContact CE2-CG 4.24Å; F80-W122 HydrophobicContact CE2-CH2 4.02Å; F80-W122 HydrophobicContact CE2-CZ2 4.19Å; F80-W122 AromaticContact CE2-CZ3 3.7Å; F80-W122 HydrophobicContact CE2-CZ3 3.7Å; F80-W122 HydrophobicContact CZ-CD2 4.41Å; F80-W122 HydrophobicContact CZ-CE3 4.38Å; L109-W122 HydrophobicContact CD1-CE3 4.13Å; L109-W122 HydrophobicContact CD1-CZ3 3.99Å; L109-W122 HydrophobicContact CD2-CE3 4.19Å; L109-W122 HydrophobicContact CD2-CZ3 4.46Å; L109-W122 HydrophobicContact CG-CE3 4.32Å; L110-W122 HydrophobicContact CD2-CB 3.91Å; R119-W122 HydrophobicContact CB-CB 4.32Å; R119-W122 HydrophobicContact CB-CD2 3.36Å; R119-W122 HydrophobicContact CB-CE3 3.55Å; R119-W122 HydrophobicContact CB-CG 3.7Å; R119-W122 HydrophobicContact CB-CH2 4.48Å; R119-W122 HydrophobicContact CB-CZ2 4.29Å; R119-W122 HydrophobicContact CB-CZ3 4.14Å; R119-W122 HydrophobicContact CG-CD2 3.83Å; R119-W122 HydrophobicContact CG-CE3 3.87Å; R119-W122 HydrophobicContact CG-CH2 3.91Å; R119-W122 HydrophobicContact CG-CZ2 3.81Å; R119-W122 HydrophobicContact CG-CZ3 3.93Å; R119-W122 VanDerWaalsContact O-CB 3.3Å; R119-W122 WeakPolarHBondContact O-CB 3.47Å; R119-W122 PolarHBondContact O-N 3.08Å; P120-W122 PolarHBondContact O-N 3.2Å; P120-W122 VanDerWaalsContact O-N 3.14Å; W122-S124 PolarHBondContact O-N 3.31Å; W122-S124 VanDerWaalsContact O-N 3.11Å; W122-R125 HydrophobicContact CB-CB 4.49Å; W122-R125 HydrophobicContact CB-CG 4.46Å; W122-R125 WeakPolarHBondContact O-CA 3.32Å; W122-R125 VanDerWaalsContact O-CB 3.31Å; W122-R125 WeakPolarHBondContact O-CB 3.37Å; W122-R125 PolarHBondContact O-N 3.43Å; W122-F126 HydrophobicContact CB-CE2 4.14Å; W122-F126 WeakPolarHBondContact O-CD2 3.24Å; W122-W175 AromaticContact CD1-CZ2 4Å
123H79.2Confident80.8Confident73 Ų7343.1 Ų43.134%0.33824%0.238SC..G310 helixtrans-47.1-46.4-178.866-80.4000112.8P120 R125 F126P120-H123 PolarHBondContact O-N 2.87Å; P120-H123 PolarHBondContact O-ND1 3.46Å; H123-R125 VanDerWaalsContact C-N 3.34Å; H123-R125 PolarHBondContact O-N 3.04Å; H123-F126 PolarHBondContact O-N 3.12Å
124S77.5Confident80.7Confident23 Ų2341.1 Ų41.116%0.16122%0.223CC..G310 helixtrans-75.9-19.8179.863.70000113.3R85 W122 F126R85-S124 PolarHBondContact NH1-O 3.47Å; R85-S124 PolarHBondContact NH1-OG 3.29Å; R85-S124 VanDerWaalsContact NH1-OG 3.16Å; W122-S124 PolarHBondContact O-N 3.31Å; W122-S124 VanDerWaalsContact O-N 3.11Å; S124-F126 PolarHBondContact O-N 3.49Å
125R84.2Confident80.4Confident11 Ų1142.6 Ų42.64%0.04224%0.236CC..G310 helixtrans-67.8-23176.8-60.1-166.475175.94.1111.7F80 A83 S84 R85 I86 W122 H123 W175F80-R125 HydrophobicContact CE1-CB 3.64Å; F80-R125 HydrophobicContact CE1-CG 4.38Å; F80-R125 VanDerWaalsContact CG-NH1 3.26Å; F80-R125 HydrophobicContact CZ-CB 3.7Å; F80-R125 HydrophobicContact CZ-CG 4.42Å; A83-R125 PolarHBondContact O-NH2 2.67Å; S84-R125 PolarHBondContact O-NE 3.04Å; S84-R125 PolarHBondContact O-NH2 3.26Å; S84-R125 VanDerWaalsContact O-NH2 3.08Å; R85-R125 CarbonylContact C-O 3.58Å; R85-R125 VanDerWaalsContact CA-O 3.31Å; R85-R125 WeakPolarHBondContact CA-O 3.38Å; I86-R125 PolarHBondContact N-O 2.97Å; W122-R125 HydrophobicContact CB-CB 4.49Å; W122-R125 HydrophobicContact CB-CG 4.46Å; W122-R125 WeakPolarHBondContact O-CA 3.32Å; W122-R125 VanDerWaalsContact O-CB 3.31Å; W122-R125 WeakPolarHBondContact O-CB 3.37Å; W122-R125 PolarHBondContact O-N 3.43Å; H123-R125 VanDerWaalsContact C-N 3.34Å; H123-R125 PolarHBondContact O-N 3.04Å; R125-W175 HydrophobicContact CG-CB 4.2Å; R125-W175 HydrophobicContact CG-CD2 3.89Å; R125-W175 HydrophobicContact CG-CG 3.57Å
126F88Confident80.3Confident0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-94.2140.3173-63.5-77000111.1W69 I75 F80 I86 L106 L109 L110 W122 H123 S124 I147W69-F126 AromaticContact CH2-CE1 3.86Å; W69-F126 HydrophobicContact CH2-CE1 3.86Å; W69-F126 HydrophobicContact CH2-CZ 4.5Å; W69-F126 AromaticContact CZ3-CE1 3.78Å; W69-F126 HydrophobicContact CZ3-CE1 3.78Å; W69-F126 AromaticContact CZ3-CZ 4Å; W69-F126 HydrophobicContact CZ3-CZ 4Å; I75-F126 HydrophobicContact CG2-CZ 4.48Å; F80-F126 HydrophobicContact CE2-CZ 4.24Å; F80-F126 HydrophobicContact CZ-CE1 4.23Å; F80-F126 AromaticContact CZ-CE2 3.98Å; F80-F126 HydrophobicContact CZ-CE2 3.98Å; F80-F126 AromaticContact CZ-CZ 3.72Å; F80-F126 HydrophobicContact CZ-CZ 3.72Å; I86-F126 HydrophobicContact CB-CD1 3.85Å; I86-F126 HydrophobicContact CB-CE1 4.01Å; I86-F126 HydrophobicContact CG1-CE1 4.39Å; I86-F126 HydrophobicContact CG2-CD1 4.01Å; I86-F126 HydrophobicContact CG2-CE1 4.08Å; I86-F126 CarbonylContact O-C 3.57Å; I86-F126 WeakPolarHBondContact O-CA 3.38Å; L106-F126 HydrophobicContact CD2-CD1 4.49Å; L106-F126 HydrophobicContact CD2-CE1 4.33Å; L106-F126 HydrophobicContact CD2-CZ 4.39Å; L109-F126 HydrophobicContact CD2-CE2 4.01Å; L109-F126 HydrophobicContact CD2-CZ 3.95Å; L110-F126 HydrophobicContact CD1-CD2 4.25Å; L110-F126 HydrophobicContact CD2-CD2 4.17Å; L110-F126 HydrophobicContact CD2-CE2 4.13Å; W122-F126 HydrophobicContact CB-CE2 4.14Å; W122-F126 WeakPolarHBondContact O-CD2 3.24Å; H123-F126 PolarHBondContact O-N 3.12Å; S124-F126 PolarHBondContact O-N 3.49Å; F126-I147 HydrophobicContact CB-CB 4.04Å; F126-I147 HydrophobicContact CB-CD1 4.22Å; F126-I147 HydrophobicContact CB-CG2 3.6Å
127I88.8Confident80Confident0 Ų031.3 Ų31.30%018%0.182CC..EExtended strand (participates in β ladder)trans-131.2126.9176.5-57.6167.4000106.8R85 I86 V87 L88 N148 I150 L167 A170 I171R85-I127 HydrophobicContact CB-CD1 4.02Å; R85-I127 HydrophobicContact CG-CD1 4.16Å; I86-I127 PolarHBondContact O-N 3.13Å; V87-I127 CarbonylContact C-O 3.52Å; V87-I127 WeakPolarHBondContact CA-O 3.18Å; V87-I127 HydrophobicContact CG2-CB 4.2Å; V87-I127 HydrophobicContact CG2-CD1 4.18Å; L88-I127 PolarHBondContact N-O 2.99Å; I127-N148 CarbonylContact C-O 3.58Å; I127-N148 WeakPolarHBondContact CA-O 3.49Å; I127-I150 HydrophobicContact CG2-CD1 3.82Å; I127-I150 HydrophobicContact CG2-CG1 4.22Å; I127-L167 HydrophobicContact CG2-CD1 4.4Å; I127-A170 HydrophobicContact CD1-CB 3.84Å; I127-A170 WeakPolarHBondContact CD1-O 3.26Å; I127-A170 HydrophobicContact CG1-CB 4.4Å; I127-I171 HydrophobicContact CD1-CG1 4.15Å
128A88.8Confident79.5Confident0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-90.6126.8168.800000109.5I90 V136 I147 N148 V149 I150I90-A128 HydrophobicContact CD1-CB 3.56Å; A128-V136 HydrophobicContact CB-CG1 4.15Å; A128-I147 HydrophobicContact CB-CD1 3.63Å; A128-I147 HydrophobicContact CB-CG1 3.91Å; A128-N148 PolarHBondContact N-O 2.86Å; A128-V149 HydrophobicContact CB-CB 4.38Å; A128-V149 HydrophobicContact CB-CG1 4.2Å; A128-V149 HydrophobicContact CB-CG2 4.13Å; A128-I150 PolarHBondContact O-N 3.32Å
129V89.5Confident78.6Confident1 Ų140.9 Ų40.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-105.6102.4166.4166.70000107.6L42 V87 L88 F89 I90 F152 L167L42-V129 HydrophobicContact CD2-CB 4.4Å; L42-V129 HydrophobicContact CD2-CG1 3.83Å; V87-V129 HydrophobicContact CG1-CB 4.16Å; V87-V129 HydrophobicContact CG1-CG2 3.58Å; L88-V129 PolarHBondContact O-N 3.24Å; F89-V129 HydrophobicContact CD2-CG1 4.43Å; I90-V129 PolarHBondContact N-O 3.14Å; V129-F152 HydrophobicContact CB-CE2 4.49Å; V129-F152 HydrophobicContact CG1-CD2 3.72Å; V129-F152 HydrophobicContact CG1-CE2 3.55Å; V129-F152 HydrophobicContact CG2-CE2 4.29Å; V129-L167 HydrophobicContact CG2-CD1 3.69Å; V129-L167 HydrophobicContact CG2-CD2 4.17Å
130A87.7Confident77.4Confident0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-93.8128.2175.500000109.8I90 V136 I150 R151 F152I90-A130 WeakPolarHBondContact O-CA 3.36Å; A130-V136 HydrophobicContact CB-CG2 3.73Å; A130-I150 PolarHBondContact N-O 2.96Å; A130-R151 HydrophobicContact CB-CG 4.31Å; A130-R151 WeakPolarHBondContact O-CA 3.42Å; A130-F152 PolarHBondContact O-N 3.13Å
131I85Confident76.4Confident11 Ų1140.8 Ų40.86%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-103.3132170.5-66.9171.3000108.3F89 I90 F152 W157F89-I131 HydrophobicContact CE2-CD1 3.41Å; F89-I131 VanDerWaalsContact CE2-CD1 3.41Å; F89-I131 HydrophobicContact CE2-CG1 4.46Å; F89-I131 HydrophobicContact CZ-CD1 3.46Å; F89-I131 VanDerWaalsContact CZ-CD1 3.46Å; I90-I131 PolarHBondContact O-N 3.38Å; I131-F152 HydrophobicContact CG1-CB 4.14Å; I131-W157 HydrophobicContact CD1-CB 4.19Å; I131-W157 HydrophobicContact CD1-CD2 4.32Å; I131-W157 HydrophobicContact CD1-CG 3.76Å; I131-W157 HydrophobicContact CG1-CB 4.19Å; I131-W157 HydrophobicContact CG1-CG 4.31Å
132G77Confident74.9Confident20 Ų2043.1 Ų43.121%0.20624%0.239CC..THydrogen-bonded Turntrans74.4-141.2177.500000113.1D92 V134 F152D92-G132 WeakPolarHBondContact OD1-CA 3.34Å; G132-V134 PolarHBondContact O-N 2.7Å; G132-F152 PolarHBondContact N-O 3.31Å
133S72.8Confident73.6Confident108 Ų10850.3 Ų50.376%0.75528%0.278SS*.THydrogen-bonded Turntrans-9311.3-165.460.20000114.8D92 Q135D92-S133 PolarHBondContact OD1-N 2.88Å; D92-S133 PolarHBondContact OD1-OG 3.14Å; S133-Q135 PolarHBondContact O-N 2.72Å
134V75.8Confident72.4Confident5 Ų549.3 Ų49.33%0.0328%0.277CS..  trans-56.3127.5-175.9-174.60000113I90 P91 A95 G132 V136 R151I90-V134 HydrophobicContact CG2-CB 4.33Å; I90-V134 HydrophobicContact CG2-CG1 3.69Å; I90-V134 HydrophobicContact CG2-CG2 4.25Å; P91-V134 VanDerWaalsContact O-CG2 3.29Å; P91-V134 WeakPolarHBondContact O-CG2 3.23Å; A95-V134 HydrophobicContact CB-CG1 3.97Å; G132-V134 PolarHBondContact O-N 2.7Å; V134-V136 HydrophobicContact CG1-CG2 4.09Å; V134-V136 PolarHBondContact O-N 3.04Å; V134-R151 PolarHBondContact O-NH1 2.87Å
135Q73.7Confident71.6Confident167 Ų16752.1 Ų52.178%0.7830%0.295SS*.  trans-76.685.7166.6-62.7-172.211.300110.8S133S133-Q135 PolarHBondContact O-N 2.72Å
136V72.8Confident70.8Confident5 Ų551.8 Ų51.83%0.0329%0.293CS..  trans-74.6134.8164.6-174.10000109.2I90 A128 A130 V134 N138 V149 R151I90-V136 HydrophobicContact CD1-CG1 4.29Å; I90-V136 HydrophobicContact CD1-CG2 3.79Å; I90-V136 HydrophobicContact CG2-CG2 4.42Å; A128-V136 HydrophobicContact CB-CG1 4.15Å; A130-V136 HydrophobicContact CB-CG2 3.73Å; V134-V136 HydrophobicContact CG1-CG2 4.09Å; V134-V136 PolarHBondContact O-N 3.04Å; V136-N138 PolarHBondContact O-N 3.15Å; V136-N138 PolarHBondContact O-OD1 2.87Å; V136-V149 HydrophobicContact CB-CG1 4.11Å; V136-V149 HydrophobicContact CB-CG2 4.48Å; V136-V149 HydrophobicContact CG1-CG1 4.23Å; V136-V149 HydrophobicContact CG1-CG2 3.89Å; V136-V149 HydrophobicContact CG2-CG1 4.26Å; V136-R151 PolarHBondContact O-NH2 3.44Å
137P67.5Low70.2Confident36 Ų3652.2 Ų52.223%0.23430%0.296CS..  trans-56.1118.8170.6-24.334.4000110.9F146P137-F146 HydrophobicContact CB-CD2 3.98Å; P137-F146 HydrophobicContact CB-CE2 4.25Å; P137-F146 HydrophobicContact CB-CG 4.28Å; P137-F146 WeakPolarHBondContact O-CB 3.31Å; P137-F146 WeakPolarHBondContact O-CD1 3.39Å; P137-F146 WeakPolarHBondContact O-CG 3.32Å
138N61.6Low69.8Low103 Ų10355.9 Ų55.955%0.55132%0.315SS*.SBendtrans-84-18.7-179.6-64.4-31.8000112.4V136 F146 R151V136-N138 PolarHBondContact O-N 3.15Å; V136-N138 PolarHBondContact O-OD1 2.87Å; N138-F146 WeakPolarHBondContact O-CB 3.49Å; N138-F146 PolarHBondContact O-N 3.47Å; N138-F146 VanDerWaalsContact O-N 3.16Å; N138-R151 PolarHBondContact OD1-NH2 2.77Å
139Q60.5Low69.6Low134 Ų13457.8 Ų57.863%0.62633%0.327SS*.EExtended strand (participates in β ladder)trans-134.5138.7179.4-72.6175.2-18.500110
140L56.5Low69.4Low21 Ų2158.3 Ų58.311%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-78.3-40.8171.2-88166.8000111H107 L110 V144 F146H107-L140 HydrophobicContact CB-CD2 3.63Å; H107-L140 PolarHBondContact CD2-O 3.44Å; L110-L140 HydrophobicContact CB-CD1 3.54Å; L110-L140 HydrophobicContact CD1-CD1 3.94Å; L110-L140 HydrophobicContact CG-CD1 4.4Å; L140-V144 HydrophobicContact CB-CG1 4.44Å; L140-V144 HydrophobicContact CD1-CG1 4.29Å; L140-V144 PolarHBondContact N-O 2.92Å; L140-F146 HydrophobicContact CB-CD2 4.27Å; L140-F146 HydrophobicContact CD1-CD2 4.44Å; L140-F146 HydrophobicContact CD2-CD2 3.43Å; L140-F146 VanDerWaalsContact CD2-CD2 3.43Å; L140-F146 HydrophobicContact CD2-CE2 3.43Å; L140-F146 VanDerWaalsContact CD2-CE2 3.43Å; L140-F146 HydrophobicContact CG-CB 4.31Å; L140-F146 HydrophobicContact CG-CD2 3.38Å; L140-F146 HydrophobicContact CG-CE2 3.92Å; L140-F146 HydrophobicContact CG-CG 4.15Å
141N55.4Low69.2Low88 Ų8863.1 Ų63.147%0.47135%0.348SS..EExtended strand (participates in β ladder)trans-150.5163.8-175.1-152.323.6000106.1D143 V144N141-D143 PolarHBondContact O-N 3.36Å; N141-V144 HydrophobicContact CB-CB 4.46Å; N141-V144 HydrophobicContact CB-CG2 4.5Å; N141-V144 PolarHBondContact O-N 3.03Å
142P45.5Very low69.2Low88 Ų8862.6 Ų62.657%0.57135%0.345SS*.THydrogen-bonded Turntrans-50.5142.9159.7-21.835000109.1V144P142-V144 PolarHBondContact O-N 3.23Å; P142-V144 VanDerWaalsContact O-N 3.13Å
143D57.2Low68.7Low162 Ų16272.1 Ų72.187%0.86638%0.375SS*.THydrogen-bonded Turntrans69.6-9.2-179.4-46.5-37.9000117.8N141N141-D143 PolarHBondContact O-N 3.36Å
144V55Low68.3Low52 Ų5274 Ų7432%0.31537%0.372SS..EExtended strand (participates in β ladder)trans-113.9110.3178.3-173.60000112.1L140 N141 P142 F146L140-V144 HydrophobicContact CB-CG1 4.44Å; L140-V144 HydrophobicContact CD1-CG1 4.29Å; L140-V144 PolarHBondContact N-O 2.92Å; N141-V144 HydrophobicContact CB-CB 4.46Å; N141-V144 HydrophobicContact CB-CG2 4.5Å; N141-V144 PolarHBondContact O-N 3.03Å; P142-V144 PolarHBondContact O-N 3.23Å; P142-V144 VanDerWaalsContact O-N 3.13Å; V144-F146 PolarHBondContact O-N 3.47Å
145P60.8Low67.4Low83 Ų8380.6 Ų80.654%0.53941%0.405SS..EExtended strand (participates in β ladder)trans-63.4133173.827.7-33.3000109.6
146F67.1Low67Low3 Ų374 Ų741%0.01338%0.381CS..  trans-59.9-70.1-166177.1-97.4000112.2S102 L106 P137 N138 L140 V144S102-F146 VanDerWaalsContact CB-CZ 3.45Å; S102-F146 WeakPolarHBondContact OG-CZ 3.37Å; L106-F146 HydrophobicContact CD1-CE1 4.4Å; L106-F146 HydrophobicContact CD1-CZ 3.85Å; P137-F146 HydrophobicContact CB-CD2 3.98Å; P137-F146 HydrophobicContact CB-CE2 4.25Å; P137-F146 HydrophobicContact CB-CG 4.28Å; P137-F146 WeakPolarHBondContact O-CB 3.31Å; P137-F146 WeakPolarHBondContact O-CD1 3.39Å; P137-F146 WeakPolarHBondContact O-CG 3.32Å; N138-F146 WeakPolarHBondContact O-CB 3.49Å; N138-F146 PolarHBondContact O-N 3.47Å; N138-F146 VanDerWaalsContact O-N 3.16Å; L140-F146 HydrophobicContact CB-CD2 4.27Å; L140-F146 HydrophobicContact CD1-CD2 4.44Å; L140-F146 HydrophobicContact CD2-CD2 3.43Å; L140-F146 VanDerWaalsContact CD2-CD2 3.43Å; L140-F146 HydrophobicContact CD2-CE2 3.43Å; L140-F146 VanDerWaalsContact CD2-CE2 3.43Å; L140-F146 HydrophobicContact CG-CB 4.31Å; L140-F146 HydrophobicContact CG-CD2 3.38Å; L140-F146 HydrophobicContact CG-CE2 3.92Å; L140-F146 HydrophobicContact CG-CG 4.15Å; V144-F146 PolarHBondContact O-N 3.47Å
147I76.4Confident67Low10 Ų1075.1 Ų75.15%0.05139%0.385CS..SBendtrans-151.7173.4165.670.6-166.8000106.8L88 L110 F126 A128 V149L88-I147 HydrophobicContact CD1-CD1 3.79Å; L110-I147 HydrophobicContact CD1-CG2 4Å; F126-I147 HydrophobicContact CB-CB 4.04Å; F126-I147 HydrophobicContact CB-CD1 4.22Å; F126-I147 HydrophobicContact CB-CG2 3.6Å; A128-I147 HydrophobicContact CB-CD1 3.63Å; A128-I147 HydrophobicContact CB-CG1 3.91Å; I147-V149 PolarHBondContact O-N 2.99Å; I147-V149 VanDerWaalsContact O-N 3.09Å
148N79.7Confident67.3Low77 Ų7778.2 Ų78.241%0.41240%0.395SS..EExtended strand (participates in β ladder)trans-68.4109.8174.4-78.1-4.8000110.3I127 A128I127-N148 CarbonylContact C-O 3.58Å; I127-N148 WeakPolarHBondContact CA-O 3.49Å; A128-N148 PolarHBondContact N-O 2.86Å
149V83.8Confident68Low40 Ų4082.5 Ų82.524%0.24240%0.404CS..EExtended strand (participates in β ladder)trans-96.2123.5179.2-171.60000110.6A128 V136 I147 R151A128-V149 HydrophobicContact CB-CB 4.38Å; A128-V149 HydrophobicContact CB-CG1 4.2Å; A128-V149 HydrophobicContact CB-CG2 4.13Å; V136-V149 HydrophobicContact CB-CG1 4.11Å; V136-V149 HydrophobicContact CB-CG2 4.48Å; V136-V149 HydrophobicContact CG1-CG1 4.23Å; V136-V149 HydrophobicContact CG1-CG2 3.89Å; V136-V149 HydrophobicContact CG2-CG1 4.26Å; I147-V149 PolarHBondContact O-N 2.99Å; I147-V149 VanDerWaalsContact O-N 3.09Å; V149-R151 HydrophobicContact CG1-CG 4.06Å
150I85.4Confident68.9Low11 Ų1177.6 Ų77.66%0.05638%0.382CS..EExtended strand (participates in β ladder)trans-114.3120.9176.8-56.2-179.7000107.5I127 A128 A130 F152 L166 L167 A170I127-I150 HydrophobicContact CG2-CD1 3.82Å; I127-I150 HydrophobicContact CG2-CG1 4.22Å; A128-I150 PolarHBondContact O-N 3.32Å; A130-I150 PolarHBondContact N-O 2.96Å; I150-F152 HydrophobicContact CG2-CD2 4.35Å; I150-F152 HydrophobicContact CG2-CE2 3.8Å; I150-F152 HydrophobicContact CG2-CZ 4.46Å; I150-L166 HydrophobicContact CD1-CB 4.47Å; I150-L166 HydrophobicContact CG2-CB 4.23Å; I150-L167 VanDerWaalsContact CD1-CA 3.48Å; I150-L167 HydrophobicContact CD1-CB 4.05Å; I150-L167 HydrophobicContact CD1-CD1 4.02Å; I150-A170 HydrophobicContact CD1-CB 3.81Å
151R84.6Confident70.1Confident101 Ų10181.5 Ų81.538%0.38140%0.401SS..EExtended strand (participates in β ladder)trans-107.9118.9-174.1-62.6178.7178.5-85.8-1.1109.6A130 V134 V136 N138 V149A130-R151 HydrophobicContact CB-CG 4.31Å; A130-R151 WeakPolarHBondContact O-CA 3.42Å; V134-R151 PolarHBondContact O-NH1 2.87Å; V136-R151 PolarHBondContact O-NH2 3.44Å; N138-R151 PolarHBondContact OD1-NH2 2.77Å; V149-R151 HydrophobicContact CG1-CG 4.06Å
152F84.3Confident71.4Confident1 Ų183 Ų830%0.00441%0.407CS..EExtended strand (participates in β ladder)trans-93.3127.1173.8-74.1-98.6000109V129 A130 I131 G132 I150 E154 W157 D160 G163 M164 L167V129-F152 HydrophobicContact CB-CE2 4.49Å; V129-F152 HydrophobicContact CG1-CD2 3.72Å; V129-F152 HydrophobicContact CG1-CE2 3.55Å; V129-F152 HydrophobicContact CG2-CE2 4.29Å; A130-F152 PolarHBondContact O-N 3.13Å; I131-F152 HydrophobicContact CG1-CB 4.14Å; G132-F152 PolarHBondContact N-O 3.31Å; I150-F152 HydrophobicContact CG2-CD2 4.35Å; I150-F152 HydrophobicContact CG2-CE2 3.8Å; I150-F152 HydrophobicContact CG2-CZ 4.46Å; F152-E154 VanDerWaalsContact C-N 3.33Å; F152-E154 PolarHBondContact O-N 3.26Å; F152-W157 HydrophobicContact CB-CB 3.77Å; F152-W157 HydrophobicContact CD1-CB 3.74Å; F152-W157 WeakPolarHBondContact CD1-O 3.32Å; F152-W157 HydrophobicContact CG-CB 3.98Å; F152-D160 HydrophobicContact CD1-CB 3.82Å; F152-D160 HydrophobicContact CE1-CB 4.4Å; F152-G163 VanDerWaalsContact CZ-C 3.5Å; F152-M164 HydrophobicContact CE1-CG 3.94Å; F152-M164 HydrophobicContact CE1-SD 3.82Å; F152-M164 HydrophobicContact CZ-CG 4.5Å; F152-M164 HydrophobicContact CZ-SD 3.99Å; F152-L167 HydrophobicContact CE2-CD2 4.48Å; F152-L167 HydrophobicContact CZ-CB 4.44Å; F152-L167 HydrophobicContact CZ-CD2 4.11Å
153R66.6Low73.3Confident220 Ų22078.9 Ų78.983%0.8338%0.381SS*.  trans-66.3-23.6-162.5-72.6-172.7174.1-169.5-2.1116.2D160R153-D160 PolarHBondContact N-OD2 3.02Å
154E64.1Low74.7Confident148 Ų14871.1 Ų71.169%0.69234%0.339SS*.SBendtrans-165.1178.8-177.5-115.7162.8-125.600113.4F152 G156 W157F152-E154 VanDerWaalsContact C-N 3.33Å; F152-E154 PolarHBondContact O-N 3.26Å; E154-G156 CarbonylContact O-C 3.57Å; E154-G156 PolarHBondContact O-N 3.03Å; E154-W157 WeakPolarHBondContact O-CA 3.38Å; E154-W157 PolarHBondContact O-N 3.39Å
155I57.8Low76.1Confident143 Ų14371.5 Ų71.573%0.73334%0.339SS*.THydrogen-bonded Turntrans-48.3-31177-62.3171.3000112.6W157I155-W157 VanDerWaalsContact O-CD1 3.29Å; I155-W157 PolarHBondContact O-N 2.92Å; I155-W157 VanDerWaalsContact O-N 3.09Å
156G63.9Low77.3Confident27 Ų2771.8 Ų71.828%0.27834%0.335SS..THydrogen-bonded Turntrans-75.631.2171.800000115.2E154 F158 R159E154-G156 CarbonylContact O-C 3.57Å; E154-G156 PolarHBondContact O-N 3.03Å; G156-F158 PolarHBondContact O-N 3.48Å; G156-R159 VanDerWaalsContact O-CB 3.27Å; G156-R159 WeakPolarHBondContact O-CB 3.48Å; G156-R159 WeakPolarHBondContact O-CG 3.48Å; G156-R159 PolarHBondContact O-N 3.46Å
157W73.4Confident78.4Confident29 Ų2971.7 Ų71.711%0.1133%0.334CS..G310 helixtrans-49.3-32-172.761.4-94.6000114.6H41 L42 H45 I131 F152 E154 I155 R159 D160H41-W157 HydrophobicContact CB-CH2 4.41Å; H41-W157 HydrophobicContact CB-CZ2 4.15Å; L42-W157 VanDerWaalsContact CA-CH2 3.48Å; L42-W157 HydrophobicContact CB-CH2 4.05Å; L42-W157 HydrophobicContact CB-CZ3 4.22Å; L42-W157 HydrophobicContact CD1-CE3 3.87Å; L42-W157 HydrophobicContact CD1-CH2 4.22Å; L42-W157 HydrophobicContact CD1-CZ3 3.51Å; L42-W157 HydrophobicContact CG-CZ3 4.48Å; H45-W157 HydrophobicContact CB-CH2 4.01Å; H45-W157 HydrophobicContact CB-CZ3 4.04Å; H45-W157 AromaticContact CD2-CZ3 3.91Å; I131-W157 HydrophobicContact CD1-CB 4.19Å; I131-W157 HydrophobicContact CD1-CD2 4.32Å; I131-W157 HydrophobicContact CD1-CG 3.76Å; I131-W157 HydrophobicContact CG1-CB 4.19Å; I131-W157 HydrophobicContact CG1-CG 4.31Å; F152-W157 HydrophobicContact CB-CB 3.77Å; F152-W157 HydrophobicContact CD1-CB 3.74Å; F152-W157 WeakPolarHBondContact CD1-O 3.32Å; F152-W157 HydrophobicContact CG-CB 3.98Å; E154-W157 WeakPolarHBondContact O-CA 3.38Å; E154-W157 PolarHBondContact O-N 3.39Å; I155-W157 VanDerWaalsContact O-CD1 3.29Å; I155-W157 PolarHBondContact O-N 2.92Å; I155-W157 VanDerWaalsContact O-N 3.09Å; W157-R159 PolarHBondContact O-N 3.31Å; W157-R159 VanDerWaalsContact O-N 3.14Å; W157-D160 WeakPolarHBondContact O-CB 3.32Å; W157-D160 PolarHBondContact O-N 3Å
158F74.1Confident78.9Confident102 Ų10273 Ų7345%0.44734%0.34SS..G310 helixtrans-65-11.417561.8-90.2000114.3H45 G156H45-F158 PolarHBondContact NE2-O 3.45Å; G156-F158 PolarHBondContact O-N 3.48Å
159R75.4Confident79.3Confident193 Ų19374.4 Ų74.473%0.72834%0.343SS*.G310 helixtrans-94.2-14173.3-55.3-175.8176.6-165.8-3112.8G156 W157 I161G156-R159 VanDerWaalsContact O-CB 3.27Å; G156-R159 WeakPolarHBondContact O-CB 3.48Å; G156-R159 WeakPolarHBondContact O-CG 3.48Å; G156-R159 PolarHBondContact O-N 3.46Å; W157-R159 PolarHBondContact O-N 3.31Å; W157-R159 VanDerWaalsContact O-N 3.14Å; R159-I161 PolarHBondContact O-N 3.46Å
160D80.7Confident79.4Confident30 Ų3073 Ų7316%0.1634%0.335CS..  trans-7786.8-178.7-163.7-27.1000109.7F152 R153 W157 M162 G163 M164F152-D160 HydrophobicContact CD1-CB 3.82Å; F152-D160 HydrophobicContact CE1-CB 4.4Å; R153-D160 PolarHBondContact N-OD2 3.02Å; W157-D160 WeakPolarHBondContact O-CB 3.32Å; W157-D160 PolarHBondContact O-N 3Å; D160-M162 PolarHBondContact O-N 3.34Å; D160-M162 PolarHBondContact OD1-N 3.14Å; D160-G163 PolarHBondContact O-N 3.43Å; D160-G163 PolarHBondContact OD1-N 2.79Å; D160-M164 WeakPolarHBondContact O-CB 3.36Å; D160-M164 WeakPolarHBondContact O-CG 3.31Å; D160-M164 PolarHBondContact O-N 2.95Å
161I81.7Confident79.4Confident103 Ų10372.7 Ų72.753%0.52833%0.334SS..Hα-helixtrans-59.3-39.1-178.3-66.1171.2000110.5R159 M164 M165R159-I161 PolarHBondContact O-N 3.46Å; I161-M164 PolarHBondContact O-N 3.22Å; I161-M165 HydrophobicContact CG2-SD 3.97Å; I161-M165 WeakPolarHBondContact O-CG 3.37Å; I161-M165 PolarHBondContact O-N 3.45Å
162M82.7Confident79.3Confident119 Ų11971.9 Ų71.959%0.58633%0.333SS*.Hα-helixtrans-68.9-49.3-179.6-17559.368.900111.3D160 M164 M165 L166D160-M162 PolarHBondContact O-N 3.34Å; D160-M162 PolarHBondContact OD1-N 3.14Å; M162-M164 VanDerWaalsContact C-N 3.26Å; M162-M164 PolarHBondContact O-N 3.04Å; M162-M165 PolarHBondContact O-N 2.66Å; M162-M165 VanDerWaalsContact O-N 3.11Å; M162-L166 HydrophobicContact CG-CD1 4.19Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 2.81Å; M162-L166 HydrophobicContact SD-CG 4.39Å
163G84Confident78.7Confident2 Ų275.7 Ų75.72%0.02135%0.353CS..Hα-helixtrans-55.7-41.2173.800000112.3F152 D160 L167F152-G163 VanDerWaalsContact CZ-C 3.5Å; D160-G163 PolarHBondContact O-N 3.43Å; D160-G163 PolarHBondContact OD1-N 2.79Å; G163-L167 WeakPolarHBondContact O-CB 3.09Å; G163-L167 PolarHBondContact O-N 2.9Å
164M86.4Confident78.3Confident0 Ų072.5 Ų72.50%035%0.346CS..Hα-helixtrans-67.6-37.4175-73-60-62.700113.9L42 H45 V46 K49 Y50 F152 D160 I161 M162 L167 E168L42-M164 HydrophobicContact CD1-SD 4.27Å; H45-M164 VanDerWaalsContact CD2-CE 3.48Å; H45-M164 WeakPolarHBondContact CD2-CE 3.33Å; V46-M164 HydrophobicContact CB-CE 4.25Å; V46-M164 HydrophobicContact CG2-CE 3.59Å; V46-M164 HydrophobicContact CG2-SD 4.42Å; K49-M164 HydrophobicContact CD-CB 4.19Å; K49-M164 HydrophobicContact CD-CE 4.2Å; K49-M164 HydrophobicContact CD-CG 4.48Å; K49-M164 VanDerWaalsContact NZ-CB 3.34Å; Y50-M164 HydrophobicContact CE2-CB 4.33Å; Y50-M164 HydrophobicContact CE2-CE 4.04Å; Y50-M164 WeakPolarHBondContact CE2-O 3.48Å; Y50-M164 PolarHBondContact OH-O 3.34Å; F152-M164 HydrophobicContact CE1-CG 3.94Å; F152-M164 HydrophobicContact CE1-SD 3.82Å; F152-M164 HydrophobicContact CZ-CG 4.5Å; F152-M164 HydrophobicContact CZ-SD 3.99Å; D160-M164 WeakPolarHBondContact O-CB 3.36Å; D160-M164 WeakPolarHBondContact O-CG 3.31Å; D160-M164 PolarHBondContact O-N 2.95Å; I161-M164 PolarHBondContact O-N 3.22Å; M162-M164 VanDerWaalsContact C-N 3.26Å; M162-M164 PolarHBondContact O-N 3.04Å; M164-L167 PolarHBondContact O-N 3.34Å; M164-E168 WeakPolarHBondContact O-CB 3.44Å; M164-E168 PolarHBondContact O-N 2.95Å
165M84.8Confident78Confident60 Ų6068 Ų6830%0.29632%0.323SS..Hα-helixtrans-70.5-39.5175.6-76.7173.466.200112Y50 I161 M162 L167 E168 K169 L296Y50-M165 WeakPolarHBondContact OH-CG 3.31Å; Y50-M165 PolarHBondContact OH-N 3.47Å; I161-M165 HydrophobicContact CG2-SD 3.97Å; I161-M165 WeakPolarHBondContact O-CG 3.37Å; I161-M165 PolarHBondContact O-N 3.45Å; M162-M165 PolarHBondContact O-N 2.66Å; M162-M165 VanDerWaalsContact O-N 3.11Å; M165-L167 VanDerWaalsContact C-N 3.31Å; M165-L167 PolarHBondContact O-N 3.45Å; M165-E168 PolarHBondContact O-N 2.88Å; M165-K169 WeakPolarHBondContact O-CB 3.35Å; M165-K169 PolarHBondContact O-N 3.11Å; M165-L296 HydrophobicContact CE-CD1 3.82Å; M165-L296 HydrophobicContact SD-CD1 4.11Å
166L87.2Confident77.6Confident88 Ų8865.6 Ų65.646%0.46131%0.31SS..Hα-helixtrans-63.7-38.3172.9-68.8173.2000111.2I150 M162 K169 A170I150-L166 HydrophobicContact CD1-CB 4.47Å; I150-L166 HydrophobicContact CG2-CB 4.23Å; M162-L166 HydrophobicContact CG-CD1 4.19Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 2.81Å; M162-L166 HydrophobicContact SD-CG 4.39Å; L166-K169 PolarHBondContact O-N 2.94Å; L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 2.85Å
167L89.2Confident77Confident1 Ų164.7 Ų64.71%0.00530%0.299CS..Hα-helixtrans-67.3-43.6175.2-178.458.4000111.9L42 V46 V87 I127 V129 I150 F152 G163 M164 M165 K169 A170 I171L42-L167 HydrophobicContact CD1-CD2 3.96Å; L42-L167 HydrophobicContact CD2-CD2 4.46Å; L42-L167 HydrophobicContact CG-CD2 4.49Å; V46-L167 HydrophobicContact CG2-CD2 3.72Å; V46-L167 HydrophobicContact CG2-CG 4.49Å; V87-L167 HydrophobicContact CG1-CD1 4.48Å; V87-L167 HydrophobicContact CG2-CD1 4.45Å; I127-L167 HydrophobicContact CG2-CD1 4.4Å; V129-L167 HydrophobicContact CG2-CD1 3.69Å; V129-L167 HydrophobicContact CG2-CD2 4.17Å; I150-L167 VanDerWaalsContact CD1-CA 3.48Å; I150-L167 HydrophobicContact CD1-CB 4.05Å; I150-L167 HydrophobicContact CD1-CD1 4.02Å; F152-L167 HydrophobicContact CE2-CD2 4.48Å; F152-L167 HydrophobicContact CZ-CB 4.44Å; F152-L167 HydrophobicContact CZ-CD2 4.11Å; G163-L167 WeakPolarHBondContact O-CB 3.09Å; G163-L167 PolarHBondContact O-N 2.9Å; M164-L167 PolarHBondContact O-N 3.34Å; M165-L167 VanDerWaalsContact C-N 3.31Å; M165-L167 PolarHBondContact O-N 3.45Å; L167-K169 PolarHBondContact O-N 2.92Å; L167-A170 PolarHBondContact O-N 3.49Å; L167-I171 HydrophobicContact CD1-CD1 3.8Å; L167-I171 HydrophobicContact CD1-CG1 4.17Å; L167-I171 HydrophobicContact CG-CD1 3.91Å; L167-I171 WeakPolarHBondContact O-CB 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 3.4Å
168E88.1Confident75.9Confident37 Ų3766.3 Ų66.317%0.17331%0.313CS..Hα-helixtrans-56.1-50172.3-172.4-162.8-178.700111.1Y50 L53 M164 M165 I171 K172Y50-E168 HydrophobicContact CD1-CB 4.49Å; Y50-E168 HydrophobicContact CD1-CG 3.87Å; Y50-E168 WeakPolarHBondContact CD1-OE1 3.34Å; Y50-E168 WeakPolarHBondContact CD1-OE2 3.38Å; Y50-E168 HydrophobicContact CD2-CB 3.96Å; Y50-E168 HydrophobicContact CD2-CG 3.96Å; Y50-E168 HydrophobicContact CE1-CB 4.29Å; Y50-E168 HydrophobicContact CE1-CG 4.05Å; Y50-E168 WeakPolarHBondContact CE1-OE2 3.42Å; Y50-E168 HydrophobicContact CE2-CB 3.73Å; Y50-E168 HydrophobicContact CE2-CG 4.13Å; Y50-E168 HydrophobicContact CG-CB 4.32Å; Y50-E168 HydrophobicContact CG-CG 3.81Å; L53-E168 HydrophobicContact CD1-CB 4.35Å; L53-E168 HydrophobicContact CD1-CG 3.82Å; M164-E168 WeakPolarHBondContact O-CB 3.44Å; M164-E168 PolarHBondContact O-N 2.95Å; M165-E168 PolarHBondContact O-N 2.88Å; E168-I171 PolarHBondContact O-N 3.09Å; E168-K172 HydrophobicContact CG-CD 4.08Å; E168-K172 HydrophobicContact CG-CG 4.48Å; E168-K172 WeakPolarHBondContact O-CB 3.27Å; E168-K172 WeakPolarHBondContact O-CG 3.44Å; E168-K172 PolarHBondContact O-N 3.12Å; E168-K172 VanDerWaalsContact OE1-CE 3.29Å; E168-K172 WeakPolarHBondContact OE1-CE 3.32Å; E168-K172 IonicContact OE1-NZ 3.52Å; E168-K172 PolarHBondContact OE1-NZ 3.39Å
169K86.4Confident74.7Confident108 Ų10865.9 Ų65.947%0.4731%0.313SS..Hα-helixtrans-61.1-49.1179.4-175.6173.1-179.2175.30111.8M165 L166 L167 I171 K172 D173M165-K169 WeakPolarHBondContact O-CB 3.35Å; M165-K169 PolarHBondContact O-N 3.11Å; L166-K169 PolarHBondContact O-N 2.94Å; L167-K169 PolarHBondContact O-N 2.92Å; K169-I171 PolarHBondContact O-N 2.68Å; K169-K172 PolarHBondContact O-N 2.95Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K169-D173 WeakPolarHBondContact O-CB 3.33Å; K169-D173 PolarHBondContact O-N 3.21Å
170A85.7Confident73.2Confident9 Ų961 Ų617%0.07430%0.299CS..Hα-helixtrans-63.1-29.4179.500000113.5I127 I150 L166 L167I127-A170 HydrophobicContact CD1-CB 3.84Å; I127-A170 WeakPolarHBondContact CD1-O 3.26Å; I127-A170 HydrophobicContact CG1-CB 4.4Å; I150-A170 HydrophobicContact CD1-CB 3.81Å; L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 2.85Å; L167-A170 PolarHBondContact O-N 3.49Å
171I87Confident71.6Confident5 Ų565 Ų653%0.02632%0.315CS..Hα-helixtrans-76.9-41.4173-66.9170.2000111.4H8 A9 V46 L53 V87 I127 L167 E168 K169H8-I171 HydrophobicContact CB-CG2 3.59Å; A9-I171 HydrophobicContact CB-CD1 3.96Å; A9-I171 HydrophobicContact CB-CG1 3.94Å; A9-I171 HydrophobicContact CB-CG2 3.95Å; V46-I171 HydrophobicContact CG1-CD1 4.42Å; L53-I171 HydrophobicContact CD1-CB 4.21Å; L53-I171 HydrophobicContact CD1-CG2 4Å; L53-I171 HydrophobicContact CD2-CG2 3.69Å; L53-I171 HydrophobicContact CG-CG2 4.42Å; V87-I171 HydrophobicContact CG2-CD1 4.45Å; V87-I171 HydrophobicContact CG2-CG1 4.43Å; I127-I171 HydrophobicContact CD1-CG1 4.15Å; L167-I171 HydrophobicContact CD1-CD1 3.8Å; L167-I171 HydrophobicContact CD1-CG1 4.17Å; L167-I171 HydrophobicContact CG-CD1 3.91Å; L167-I171 WeakPolarHBondContact O-CB 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 3.4Å; E168-I171 PolarHBondContact O-N 3.09Å; K169-I171 PolarHBondContact O-N 2.68Å
172K82.2Confident69.5Low84 Ų8466.2 Ų66.237%0.36532%0.319SS..Hα-helixtrans-73.2-35.4-179.1-79.3-174.2171.2173.80114.3L53 E168 K169 F174L53-K172 HydrophobicContact CD2-CG 3.76Å; L53-K172 HydrophobicContact CG-CG 4.46Å; E168-K172 HydrophobicContact CG-CD 4.08Å; E168-K172 HydrophobicContact CG-CG 4.48Å; E168-K172 WeakPolarHBondContact O-CB 3.27Å; E168-K172 WeakPolarHBondContact O-CG 3.44Å; E168-K172 PolarHBondContact O-N 3.12Å; E168-K172 VanDerWaalsContact OE1-CE 3.29Å; E168-K172 WeakPolarHBondContact OE1-CE 3.32Å; E168-K172 IonicContact OE1-NZ 3.52Å; E168-K172 PolarHBondContact OE1-NZ 3.39Å; K169-K172 PolarHBondContact O-N 2.95Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K172-F174 VanDerWaalsContact O-CD2 3.26Å; K172-F174 WeakPolarHBondContact O-CD2 3.23Å; K172-F174 PolarHBondContact O-N 3.25Å
173D71.9Confident67.3Low81 Ų8163.1 Ų63.143%0.43331%0.312SS..SBendtrans-59108.8176.6-73.3-16.7000107.1R85 K169R85-D173 PolarHBondContact NE-O 2.97Å; R85-D173 PolarHBondContact NH2-O 3.21Å; K169-D173 WeakPolarHBondContact O-CB 3.33Å; K169-D173 PolarHBondContact O-N 3.21Å
174F57.4Low65.1Low154 Ų15466.9 Ų66.968%0.67534%0.335SS*.  trans-68.4144.3-173-85.9-93.8000111.8R85 K172 I176R85-F174 PolarHBondContact NH2-O 3.47Å; K172-F174 VanDerWaalsContact O-CD2 3.26Å; K172-F174 WeakPolarHBondContact O-CD2 3.23Å; K172-F174 PolarHBondContact O-N 3.25Å; F174-I176 PolarHBondContact O-N 3.06Å
175W57.2Low62.8Low54 Ų5470.8 Ų70.821%0.20536%0.362CS..  trans-78.5110.9167.7-175.674.8000109.9E121 W122 R125 P177E121-W175 HydrophobicContact CB-CZ2 4.47Å; E121-W175 HydrophobicContact CG-CZ2 3.96Å; E121-W175 PolarHBondContact O-NE1 3.25Å; W122-W175 AromaticContact CD1-CZ2 4Å; R125-W175 HydrophobicContact CG-CB 4.2Å; R125-W175 HydrophobicContact CG-CD2 3.89Å; R125-W175 HydrophobicContact CG-CG 3.57Å; W175-P177 HydrophobicContact CE3-CG 4.12Å; W175-P177 HydrophobicContact CH2-CB 3.67Å; W175-P177 HydrophobicContact CH2-CG 3.8Å; W175-P177 HydrophobicContact CZ2-CB 4.12Å; W175-P177 HydrophobicContact CZ3-CB 4Å; W175-P177 HydrophobicContact CZ3-CG 3.57Å
176I51Low60.5Low91 Ų9175.5 Ų75.547%0.46738%0.384SS..  trans-101117.8170.3-56.2175.3000107.5F174 M180 K181F174-I176 PolarHBondContact O-N 3.06Å; I176-M180 HydrophobicContact CG2-CB 4.23Å; I176-K181 HydrophobicContact CG2-CG 3.8Å
177P51.1Low58Low8 Ų879 Ų795%0.05240%0.397CS..  trans-56.8141.9175.7-7.911.7000111W175 E179 M180 K181W175-P177 HydrophobicContact CE3-CG 4.12Å; W175-P177 HydrophobicContact CH2-CB 3.67Å; W175-P177 HydrophobicContact CH2-CG 3.8Å; W175-P177 HydrophobicContact CZ2-CB 4.12Å; W175-P177 HydrophobicContact CZ3-CB 4Å; W175-P177 HydrophobicContact CZ3-CG 3.57Å; P177-E179 PolarHBondContact O-N 2.82Å; P177-M180 HydrophobicContact CG-CG 4.31Å; P177-M180 HydrophobicContact CG-SD 4.06Å; P177-M180 PolarHBondContact O-N 3.2Å; P177-K181 PolarHBondContact O-N 3.27Å
178P49.1Very low55.3Low63 Ų6381.7 Ų81.741%0.40942%0.416SS..Hα-helixtrans-58.5-36.7178.422.2-31.8000112.5E121 M180 K181 E182E121-P178 HydrophobicContact CB-CG 3.85Å; P178-M180 PolarHBondContact O-N 2.91Å; P178-K181 WeakPolarHBondContact O-CA 3.34Å; P178-K181 WeakPolarHBondContact O-CB 3.25Å; P178-K181 PolarHBondContact O-N 3.44Å; P178-E182 PolarHBondContact O-N 3.33Å; P178-E182 VanDerWaalsContact O-N 3.12Å
179E48.9Very low52.8Low93 Ų9387.2 Ų87.244%0.43545%0.447SS..Hα-helixtrans-52.8-39.5173.9-61.4171.2169.100112.7R114 P177 A183R114-E179 IonicContact CZ-OE1 3.87Å; R114-E179 IonicContact NH1-OE1 3.39Å; R114-E179 PolarHBondContact NH1-OE1 3.01Å; R114-E179 IonicContact NH2-OE1 2.61Å; R114-E179 PolarHBondContact NH2-OE1 3.1Å; P177-E179 PolarHBondContact O-N 2.82Å; E179-A183 WeakPolarHBondContact O-CB 3.4Å; E179-A183 PolarHBondContact O-N 3.48Å; E179-A183 VanDerWaalsContact O-N 3.09Å
180M43.7Very low50.2Low91 Ų9189.3 Ų89.345%0.44846%0.462SS..Hα-helixtrans-75.4-27.9177.2-79.3-176.7164.100112.9I176 P177 P178 T184I176-M180 HydrophobicContact CG2-CB 4.23Å; P177-M180 HydrophobicContact CG-CG 4.31Å; P177-M180 HydrophobicContact CG-SD 4.06Å; P177-M180 PolarHBondContact O-N 3.2Å; P178-M180 PolarHBondContact O-N 2.91Å; M180-T184 WeakPolarHBondContact O-CB 3.31Å; M180-T184 PolarHBondContact O-N 2.85Å; M180-T184 PolarHBondContact O-OG1 3.4Å
181K48.5Very low47.8Very low114 Ų11497.8 Ų97.850%0.49650%0.498SS..Hα-helixtrans-69-36.6174.5-63.8-172.6179.4-177.60111.5I176 P177 P178 T184 S185I176-K181 HydrophobicContact CG2-CG 3.8Å; P177-K181 PolarHBondContact O-N 3.27Å; P178-K181 WeakPolarHBondContact O-CA 3.34Å; P178-K181 WeakPolarHBondContact O-CB 3.25Å; P178-K181 PolarHBondContact O-N 3.44Å; K181-T184 PolarHBondContact O-OG1 3.4Å; K181-S185 WeakPolarHBondContact O-CB 3.25Å; K181-S185 PolarHBondContact O-N 3.42Å; K181-S185 VanDerWaalsContact O-N 3.15Å
182E37.7Very low45.2Very low128 Ų128103.8 Ų103.860%0.59853%0.526SS*.Hα-helixtrans-73.2-44.3175.5-66.3-173.4160.700111.4P178 T184 S185 Q186P178-E182 PolarHBondContact O-N 3.33Å; P178-E182 VanDerWaalsContact O-N 3.12Å; E182-T184 PolarHBondContact O-N 2.87Å; E182-S185 WeakPolarHBondContact O-CB 3.31Å; E182-S185 PolarHBondContact O-N 2.9Å; E182-S185 PolarHBondContact O-OG 3.44Å; E182-Q186 PolarHBondContact O-N 3.15Å; E182-Q186 VanDerWaalsContact O-N 3.15Å
183A35.6Very low42.8Very low55 Ų55104.7 Ų104.746%0.45554%0.542SS..Hα-helixtrans-60.8-41.9175.300000113.2E179 S185 Q186 H187E179-A183 WeakPolarHBondContact O-CB 3.4Å; E179-A183 PolarHBondContact O-N 3.48Å; E179-A183 VanDerWaalsContact O-N 3.09Å; A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 3.5Å; A183-Q186 PolarHBondContact O-N 3.5Å; A183-H187 PolarHBondContact O-N 2.99Å; A183-H187 VanDerWaalsContact O-N 3.13Å
184T38.7Very low40.8Very low81 Ų81108.5 Ų108.550%0.49756%0.561SS.*Hα-helixtrans-69.6-21173.745.50000113.2M180 K181 E182 S188M180-T184 WeakPolarHBondContact O-CB 3.31Å; M180-T184 PolarHBondContact O-N 2.85Å; M180-T184 PolarHBondContact O-OG1 3.4Å; K181-T184 PolarHBondContact O-OG1 3.4Å; E182-T184 PolarHBondContact O-N 2.87Å; T184-S188 WeakPolarHBondContact O-CB 3.38Å; T184-S188 PolarHBondContact O-OG 3.41Å
185S37.1Very low39.5Very low82 Ų82108.9 Ų108.957%0.57357%0.567SS**Hα-helixtrans-78.8-26.3173.378.40000114.1K181 E182 A183K181-S185 WeakPolarHBondContact O-CB 3.25Å; K181-S185 PolarHBondContact O-N 3.42Å; K181-S185 VanDerWaalsContact O-N 3.15Å; E182-S185 WeakPolarHBondContact O-CB 3.31Å; E182-S185 PolarHBondContact O-N 2.9Å; E182-S185 PolarHBondContact O-OG 3.44Å; A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 3.5Å
186Q36.7Very low38.2Very low159 Ų159112.4 Ų112.474%0.74359%0.588SS**Hα-helixtrans-100.5-27-175.7-66.6-169.31.100114.6E182 A183E182-Q186 PolarHBondContact O-N 3.15Å; E182-Q186 VanDerWaalsContact O-N 3.15Å; A183-Q186 PolarHBondContact O-N 3.5Å
187H35.6Very low37Very low160 Ų160113.2 Ų113.274%0.74160%0.603SS**Hα-helixtrans-103-1.7-178.3-89.1-62.7000116A183 N189A183-H187 PolarHBondContact O-N 2.99Å; A183-H187 VanDerWaalsContact O-N 3.13Å; H187-N189 VanDerWaalsContact C-N 3.29Å; H187-N189 PolarHBondContact O-N 3.4Å
188S32.7Very low35.9Very low58 Ų58117.1 Ų117.141%0.40662%0.622SS.*THydrogen-bonded Turntrans-79.85.1-170.549.60000116.4T184 L190T184-S188 WeakPolarHBondContact O-CB 3.38Å; T184-S188 PolarHBondContact O-OG 3.41Å; S188-L190 PolarHBondContact O-N 2.95Å
189N34.2Very low34.8Very low153 Ų153121.6 Ų121.682%0.81864%0.635SS**THydrogen-bonded Turntrans-71.7-9.4-168.4-101.2-21.5000117.3H187H187-N189 VanDerWaalsContact C-N 3.29Å; H187-N189 PolarHBondContact O-N 3.4Å
190L32.9Very low33.7Very low152 Ų152124.7 Ų124.780%0.79664%0.644SS**SBendtrans-149.1-20.9-176.3-13674.5000119.7S188S188-L190 PolarHBondContact O-N 2.95Å
191K34.6Very low32.8Very low187 Ų187124.4 Ų124.481%0.81365%0.651SS**SBendtrans-142.38.8-172.2-71.3-168.9177.7177.30118.1
192Q33Very low31.8Very low131 Ų131123.5 Ų123.561%0.61265%0.651SS**  trans-115-0.6178.9-96.5176.5-15.500115.4I194 M195Q192-I194 PolarHBondContact O-N 3.32Å; Q192-M195 PolarHBondContact O-N 3.22Å
193S30.3Very low31.3Very low103 Ų103122 Ų12272%0.7265%0.647SS**THydrogen-bonded Turntrans-66.9-1.4179.148.80000115.6
194I31.5Very low30.9Very low161 Ų161124 Ų12483%0.82665%0.647SS**THydrogen-bonded Turntrans-90.6-12-177.6-64.5175.9000112.1Q192Q192-I194 PolarHBondContact O-N 3.32Å
195M29.5Very low30.4Very low162 Ų162125.5 Ų125.580%0.79865%0.651SS**SBendtrans-10390.8-179.9-147.1169.690.700112.8Q192Q192-M195 PolarHBondContact O-N 3.22Å
196I29.6Very low29.9Very low128 Ų128124.9 Ų124.966%0.65664%0.643SS**  trans65.661.1154-44.3179.7000114.9I198I196-I198 HydrophobicContact CG2-CB 4.35Å; I196-I198 HydrophobicContact CG2-CD1 3.56Å; I196-I198 HydrophobicContact CG2-CG1 3.6Å; I196-I198 PolarHBondContact O-N 3Å
197S26.4Very low29.5Very low109 Ų109122.7 Ų122.776%0.76263%0.633SS**  trans-78.179.7141.9-176.70000108.4K199S197-K199 PolarHBondContact O-N 3.49Å
198I27.4Very low29.1Very low90 Ų90117.5 Ų117.546%0.46261%0.613SS.*  trans-78.799.5160.7-63.7165.8000105.8I196 Y200I196-I198 HydrophobicContact CG2-CB 4.35Å; I196-I198 HydrophobicContact CG2-CD1 3.56Å; I196-I198 HydrophobicContact CG2-CG1 3.6Å; I196-I198 PolarHBondContact O-N 3Å; I198-Y200 HydrophobicContact CB-CD2 4.12Å; I198-Y200 HydrophobicContact CB-CE2 3.68Å; I198-Y200 HydrophobicContact CG2-CD1 3.82Å; I198-Y200 HydrophobicContact CG2-CD2 3.75Å; I198-Y200 HydrophobicContact CG2-CE1 3.56Å; I198-Y200 HydrophobicContact CG2-CE2 3.49Å; I198-Y200 VanDerWaalsContact CG2-CE2 3.49Å; I198-Y200 HydrophobicContact CG2-CG 3.91Å; I198-Y200 VanDerWaalsContact O-CD2 3.24Å; I198-Y200 WeakPolarHBondContact O-CD2 3.27Å; I198-Y200 PolarHBondContact O-N 3.28Å
199K26.6Very low28.9Very low157 Ų157120.1 Ų120.168%0.68363%0.626SS**  trans-71.285.2173.5-158.5174.4-169.6-179.80108.6S197 S201S197-K199 PolarHBondContact O-N 3.49Å; K199-S201 VanDerWaalsContact C-N 3.3Å; K199-S201 PolarHBondContact O-N 3.11Å
200Y25.8Very low28.5Very low158 Ų158115.2 Ų115.262%0.6260%0.604SS**  trans-70.184.9175.4-69-77.1000110.1I198 L202I198-Y200 HydrophobicContact CB-CD2 4.12Å; I198-Y200 HydrophobicContact CB-CE2 3.68Å; I198-Y200 HydrophobicContact CG2-CD1 3.82Å; I198-Y200 HydrophobicContact CG2-CD2 3.75Å; I198-Y200 HydrophobicContact CG2-CE1 3.56Å; I198-Y200 HydrophobicContact CG2-CE2 3.49Å; I198-Y200 VanDerWaalsContact CG2-CE2 3.49Å; I198-Y200 HydrophobicContact CG2-CG 3.91Å; I198-Y200 VanDerWaalsContact O-CD2 3.24Å; I198-Y200 WeakPolarHBondContact O-CD2 3.27Å; I198-Y200 PolarHBondContact O-N 3.28Å; Y200-L202 VanDerWaalsContact C-N 3.32Å; Y200-L202 PolarHBondContact O-N 2.84Å
201S25.5Very low28.6Very low84 Ų84110.5 Ų110.559%0.58758%0.579SS**  trans-71.394.715859.80000107.9K199 N203K199-S201 VanDerWaalsContact C-N 3.3Å; K199-S201 PolarHBondContact O-N 3.11Å; S201-N203 PolarHBondContact O-N 3.02Å
202L25.9Very low28.5Very low95 Ų95104 Ų10450%0.49756%0.555SS.*EExtended strand (participates in β ladder)trans-74.182.6172.8-134.4160.9000107.6Y200 E204 G220Y200-L202 VanDerWaalsContact C-N 3.32Å; Y200-L202 PolarHBondContact O-N 2.84Å; L202-E204 HydrophobicContact CD2-CB 3.9Å; L202-E204 HydrophobicContact CD2-CG 4.48Å; L202-E204 PolarHBondContact O-N 2.99Å; L202-G220 VanDerWaalsContact O-O 3.12Å
203N27.4Very low28.3Very low96 Ų96105.4 Ų105.451%0.51357%0.567SS.*EExtended strand (participates in β ladder)trans-76.274.9169.6-73.3-13.8000107.9S201 I205S201-N203 PolarHBondContact O-N 3.02Å; N203-I205 PolarHBondContact O-N 3.13Å
204E27.9Very low28Very low99 Ų99105.2 Ų105.246%0.46356%0.556SS.*EExtended strand (participates in β ladder)trans-78.5100.1172.8-157.5162.1-155.800108.1L202 V206L202-E204 HydrophobicContact CD2-CB 3.9Å; L202-E204 HydrophobicContact CD2-CG 4.48Å; L202-E204 PolarHBondContact O-N 2.99Å; E204-V206 HydrophobicContact CG-CG2 4.08Å; E204-V206 PolarHBondContact O-N 2.66Å; E204-V206 VanDerWaalsContact O-N 3.14Å
205I27.7Very low27.8Very low112 Ų112101.1 Ų101.157%0.57454%0.539SS*.EExtended strand (participates in β ladder)trans-77.894.3168.8-58.5177.3000106.3N203 E207N203-I205 PolarHBondContact O-N 3.13Å; I205-E207 HydrophobicContact CG2-CG 4.03Å; I205-E207 PolarHBondContact O-N 2.87Å; I205-E207 VanDerWaalsContact O-N 3.17Å
206V27.5Very low27.7Very low68 Ų6896.4 Ų96.441%0.41252%0.52SS..EExtended strand (participates in β ladder)trans-80.892.3167.1-170.20000107.1E204 T208E204-V206 HydrophobicContact CG-CG2 4.08Å; E204-V206 PolarHBondContact O-N 2.66Å; E204-V206 VanDerWaalsContact O-N 3.14Å; V206-T208 VanDerWaalsContact C-N 3.28Å; V206-T208 HydrophobicContact CG1-CG2 4.01Å; V206-T208 PolarHBondContact O-N 3.08Å
207E27.1Very low27.7Very low114 Ų11495.9 Ų95.953%0.53351%0.514SS..EExtended strand (participates in β ladder)trans-71.988.3163.8-87.7-175.6157.800109.1I205 T209 H217I205-E207 HydrophobicContact CG2-CG 4.03Å; I205-E207 PolarHBondContact O-N 2.87Å; I205-E207 VanDerWaalsContact O-N 3.17Å; E207-T209 VanDerWaalsContact C-N 3.34Å; E207-T209 PolarHBondContact O-N 2.79Å; E207-T209 VanDerWaalsContact O-N 3.14Å; E207-H217 IonicContact OE1-CE1 3.72Å; E207-H217 IonicContact OE1-ND1 3.73Å
208T28.2Very low27.7Very low51 Ų5194.6 Ų94.631%0.31350%0.502SS..EExtended strand (participates in β ladder)trans-75.591.7159.545.10000108.4V206 S210 T216V206-T208 VanDerWaalsContact C-N 3.28Å; V206-T208 HydrophobicContact CG1-CG2 4.01Å; V206-T208 PolarHBondContact O-N 3.08Å; T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact O-N 2.93Å; T208-S210 VanDerWaalsContact O-N 3.07Å; T208-T216 PolarHBondContact O-N 3.25Å; T208-T216 PolarHBondContact O-OG1 3.03Å; T208-T216 WeakPolarHBondContact OG1-CB 3.46Å; T208-T216 PolarHBondContact OG1-O 2.99Å; T208-T216 VanDerWaalsContact OG1-O 3.1Å; T208-T216 PolarHBondContact OG1-OG1 3.09Å
209T27.6Very low27.8Very low112 Ų11296.2 Ų96.269%0.68751%0.51SS*.EExtended strand (participates in β ladder)trans-70.595.4159.550.90000107.8E207E207-T209 VanDerWaalsContact C-N 3.34Å; E207-T209 PolarHBondContact O-N 2.79Å; E207-T209 VanDerWaalsContact O-N 3.14Å
210S27Very low27.8Very low50 Ų5090.5 Ų90.535%0.3550%0.495SS..  trans-60.2143.4163.8-179.40000108.5T208 V212 D213 I214T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact O-N 2.93Å; T208-S210 VanDerWaalsContact O-N 3.07Å; S210-V212 PolarHBondContact O-N 3.35Å; S210-V212 VanDerWaalsContact O-N 3.12Å; S210-V212 PolarHBondContact OG-N 3.16Å; S210-D213 PolarHBondContact O-N 2.92Å; S210-I214 VanDerWaalsContact CB-O 3.31Å; S210-I214 WeakPolarHBondContact CB-O 3.49Å; S210-I214 PolarHBondContact N-O 3.27Å
211L34.5Very low28.1Very low54 Ų5490.4 Ų90.428%0.28350%0.498SS..THydrogen-bonded Turntrans-68.6-8.9179.4-153152.3000112Q869 L870 V873L211-Q869 HydrophobicContact CD2-CB 4.15Å; L211-Q869 WeakPolarHBondContact CD2-O 3.41Å; L211-L870 HydrophobicContact CB-CG 4.43Å; L211-L870 HydrophobicContact CD1-CB 4.42Å; L211-L870 HydrophobicContact CD1-CD2 3.75Å; L211-L870 HydrophobicContact CD1-CG 3.84Å; L211-L870 HydrophobicContact CD2-CB 4.4Å; L211-L870 HydrophobicContact CD2-CG 4.19Å; L211-L870 HydrophobicContact CG-CG 4.38Å; L211-V873 HydrophobicContact CD1-CB 3.78Å; L211-V873 HydrophobicContact CD1-CG1 4.04Å; L211-V873 HydrophobicContact CD1-CG2 4.45Å; L211-V873 HydrophobicContact CD2-CB 3.56Å; L211-V873 HydrophobicContact CD2-CG1 4.45Å; L211-V873 HydrophobicContact CD2-CG2 3.36Å; L211-V873 HydrophobicContact CG-CB 3.62Å; L211-V873 HydrophobicContact CG-CG1 3.98Å; L211-V873 HydrophobicContact CG-CG2 3.74Å
212V31.2Very low28.4Very low49 Ų4990.9 Ų90.930%0.29749%0.492SS..THydrogen-bonded Turntrans-95.529.1178.1-162.40000112S210 I214 I866S210-V212 PolarHBondContact O-N 3.35Å; S210-V212 VanDerWaalsContact O-N 3.12Å; S210-V212 PolarHBondContact OG-N 3.16Å; V212-I214 PolarHBondContact O-N 3.38Å; V212-I866 HydrophobicContact CG2-CG2 4.36Å
213D28.9Very low28.9Very low161 Ų16190.8 Ų90.886%0.86149%0.492SS*.SBendtrans5515.9-177.1-97.5-12.8000115.7S210 T215S210-D213 PolarHBondContact O-N 2.92Å; D213-T215 PolarHBondContact O-N 2.7Å
214I25.3Very low29.5Very low99 Ų9990.8 Ų90.851%0.50849%0.491SS..  trans-9098173-60.9171.2000108.5S210 V212 T216S210-I214 VanDerWaalsContact CB-O 3.31Å; S210-I214 WeakPolarHBondContact CB-O 3.49Å; S210-I214 PolarHBondContact N-O 3.27Å; V212-I214 PolarHBondContact O-N 3.38Å; I214-T216 HydrophobicContact CG2-CG2 4.14Å; I214-T216 PolarHBondContact O-N 2.85Å; I214-T216 VanDerWaalsContact O-N 3.14Å
215T27.4Very low30Very low76 Ų7691 Ų9147%0.46650%0.496SS..EExtended strand (participates in β ladder)trans-74.993.4167.9-40.30000109.5D213 H217D213-T215 PolarHBondContact O-N 2.7Å; T215-H217 PolarHBondContact O-N 3.04Å
216T27.5Very low30.6Very low63 Ų6392.6 Ų92.639%0.38750%0.501SS..EExtended strand (participates in β ladder)trans-84.1102.217120.90000109.9T208 I214 V218T208-T216 PolarHBondContact O-N 3.25Å; T208-T216 PolarHBondContact O-OG1 3.03Å; T208-T216 WeakPolarHBondContact OG1-CB 3.46Å; T208-T216 PolarHBondContact OG1-O 2.99Å; T208-T216 VanDerWaalsContact OG1-O 3.1Å; T208-T216 PolarHBondContact OG1-OG1 3.09Å; I214-T216 HydrophobicContact CG2-CG2 4.14Å; I214-T216 PolarHBondContact O-N 2.85Å; I214-T216 VanDerWaalsContact O-N 3.14Å; T216-V218 PolarHBondContact O-N 3.37Å; T216-V218 VanDerWaalsContact O-N 3.09Å
217H27.9Very low31.1Very low117 Ų11794.5 Ų94.554%0.54251%0.507SS..EExtended strand (participates in β ladder)trans-76.389.7169.7-67.3-62.3000110.3E207 T215 I219E207-H217 IonicContact OE1-CE1 3.72Å; E207-H217 IonicContact OE1-ND1 3.73Å; T215-H217 PolarHBondContact O-N 3.04Å; H217-I219 PolarHBondContact O-N 3.3Å
218V27.6Very low31.6Very low82 Ų8296.8 Ų96.850%0.49752%0.518SS..EExtended strand (participates in β ladder)trans-82.593.7172-1750000108.7T216 G220T216-V218 PolarHBondContact O-N 3.37Å; T216-V218 VanDerWaalsContact O-N 3.09Å; V218-G220 PolarHBondContact O-N 3.27Å; V218-G220 VanDerWaalsContact O-N 3.12Å
219I28.6Very low32.1Very low124 Ų124101.9 Ų101.964%0.63654%0.536SS*.EExtended strand (participates in β ladder)trans-8187.2172.5-56.8177.2000108.4H217 K221H217-I219 PolarHBondContact O-N 3.3Å; I219-K221 PolarHBondContact O-N 3.42Å; I219-K221 VanDerWaalsContact O-N 3.13Å
220G27.2Very low32.5Very low36 Ų36103 Ų10337%0.37154%0.538SS..EExtended strand (participates in β ladder)trans-76.190.9172.600000111.2L202 V218 M222L202-G220 VanDerWaalsContact O-O 3.12Å; V218-G220 PolarHBondContact O-N 3.27Å; V218-G220 VanDerWaalsContact O-N 3.12Å; G220-M222 PolarHBondContact O-N 3.34Å
221K31.6Very low33Very low157 Ų157105.6 Ų105.668%0.68356%0.556SS**EExtended strand (participates in β ladder)trans-80.299.2163-90.8-169.4173.8-174.70109.5I219 D223I219-K221 PolarHBondContact O-N 3.42Å; I219-K221 VanDerWaalsContact O-N 3.13Å; K221-D223 PolarHBondContact O-N 3.01Å
222M31.8Very low33Very low94 Ų94114 Ų11446%0.46358%0.584SS.*EExtended strand (participates in β ladder)trans-84.288.9167.9-168.2173.7-167.300109.5G220 L224 I227G220-M222 PolarHBondContact O-N 3.34Å; M222-L224 PolarHBondContact O-N 3.08Å; M222-I227 HydrophobicContact CE-CD1 3.49Å; M222-I227 VanDerWaalsContact CE-CD1 3.49Å
223D35.9Very low33.1Very low92 Ų92116.2 Ų116.249%0.49260%0.602SS.*  trans-75.1108.7172.4-125.1-24.8000109.1K221 D225 E226K221-D223 PolarHBondContact O-N 3.01Å; D223-D225 PolarHBondContact O-N 2.7Å; D223-D225 VanDerWaalsContact O-N 3.07Å; D223-E226 PolarHBondContact O-N 3.44Å
224L40.6Very low33.2Very low96 Ų96120.3 Ų120.350%0.50361%0.605SS.*THydrogen-bonded Turntrans-65-12.5-173.8-80.7141.7000113.6M222M222-L224 PolarHBondContact O-N 3.08Å
225D39.6Very low33.4Very low104 Ų104123.2 Ų123.256%0.55662%0.621SS**THydrogen-bonded Turntrans-78.8-18-178.4-68.6-21.7000114D223D223-D225 PolarHBondContact O-N 2.7Å; D223-D225 VanDerWaalsContact O-N 3.07Å
226E39.2Very low33.5Very low145 Ų145129 Ų12968%0.67864%0.639SS**SBendtrans-78.4-31.7178.1-76.4-160134.200113.4D223 Q228 K229D223-E226 PolarHBondContact O-N 3.44Å; E226-Q228 PolarHBondContact O-N 2.69Å; E226-K229 PolarHBondContact O-N 3.06Å; E226-K229 VanDerWaalsContact O-N 3.08Å
227I38.7Very low33.6Very low108 Ų108131.3 Ų131.355%0.55466%0.658SS**THydrogen-bonded Turntrans-67.6-22.5-174.7-62.3177000111.9M222M222-I227 HydrophobicContact CE-CD1 3.49Å; M222-I227 VanDerWaalsContact CE-CD1 3.49Å
228Q37.4Very low33.6Very low162 Ų162130.2 Ų130.276%0.75766%0.663SS**THydrogen-bonded Turntrans-83.4-16.2173.8-84.4-1697.800115.1E226E226-Q228 PolarHBondContact O-N 2.69Å
229K38.9Very low33.5Very low158 Ų158133.7 Ų133.769%0.68768%0.68SS**THydrogen-bonded Turntrans-85.2-27.2-175.1-75.8-179.4178168.80114.1E226 S231E226-K229 PolarHBondContact O-N 3.06Å; E226-K229 VanDerWaalsContact O-N 3.08Å; K229-S231 VanDerWaalsContact C-N 3.28Å; K229-S231 PolarHBondContact O-N 3.09Å
230N35.9Very low33.6Very low136 Ų136134 Ų13473%0.72769%0.686SS**THydrogen-bonded Turntrans-79.81.4-173.6-72.7-19.5000115.4
231S37Very low33.7Very low105 Ų105140.3 Ų140.373%0.73470%0.704SS**THydrogen-bonded Turntrans-95.6-0.4179.2-44.70000115K229K229-S231 VanDerWaalsContact C-N 3.28Å; K229-S231 PolarHBondContact O-N 3.09Å
232R34.9Very low33.5Very low231 Ų231141 Ų14187%0.87271%0.709SS**SBendtrans-1243.8-172.5-88.8-175.3171.4-179.7-1.8116.7
233S32.6Very low33.4Very low95 Ų95140.8 Ų140.866%0.66472%0.718SS**  trans-112.550.1-176.353.50000114.5
234R30.6Very low33.1Very low247 Ų247144.4 Ų144.493%0.93273%0.733SS**  trans-131.336.4172.5-103-171179.7-165.41.4114.7
235L29.5Very low32.5Very low160 Ų160147.5 Ų147.584%0.83875%0.751SS**  trans-137.995.7172.6-80.5169.6000111.5
236K30.1Very low32Very low197 Ų197146 Ų14686%0.85776%0.759SS**  trans147.8128.7139.8-81.2162.6-177.8-1800113.4
237S29.9Very low31.4Very low111 Ų111146.8 Ų146.878%0.77677%0.767SS**  trans58.7154.9151.855.20000120.6
238S27.8Very low31Very low94 Ų94146.2 Ų146.266%0.65777%0.772SS**  cis-179142.8-38.350.80000109
239N26.3Very low30.6Very low156 Ų156146.3 Ų146.383%0.83477%0.772SS**  trans73.7158.5158.8-61.2-27.4000121
240V30.1Very low30.3Very low129 Ų129144.2 Ų144.278%0.78277%0.768SS**  trans99.980159.5-163.20000118.6
241K28.5Very low30Very low170 Ų170146.5 Ų146.574%0.73977%0.772SS**  54.5135120.1-70.8-177175.9-178.80123.1
242Q28.8Very low29.7Very low170 Ų170147.5 Ų147.579%0.79477%0.769SS**  trans71.9149.5138.7-71.2165.7-33.700118.8
243S28.9Very low29.6Very low91 Ų91144.4 Ų144.464%0.63676%0.764SS**  cis-176.6164-22.853.40000111.3
244M29.6Very low29.6Very low167 Ų167147.4 Ų147.482%0.82377%0.772SS**  trans84.2106.9157.2-60.6-166.4-177.600121.4
245N28.2Very low29.7Very low162 Ų162141.4 Ų141.487%0.86676%0.758SS**  44.3142.5113.1-58.2-0.2000121.5
246G28.3Very low29.7Very low71 Ų71140.9 Ų140.973%0.73276%0.756SS**  trans-160.2-21.6171.400000123.2
247I27.2Very low29.8Very low163 Ų163135.9 Ų135.984%0.83675%0.746SS**  trans64135.6164.9-64.5167.9000119
248S30Very low29.8Very low96 Ų96139.6 Ų139.667%0.67175%0.748SS**  trans-84.5155.9170.6520000114
249H29.9Very low29.8Very low164 Ų164139.2 Ų139.276%0.75975%0.745SS**  trans-168.6131.3132.8-96.7-71.3000107.6
250D31.2Very low30Very low113 Ų113139.5 Ų139.560%0.60474%0.741SS**  cis103.212748-168.413.5000111.3
251K31.4Very low29.9Very low185 Ų185139 Ų13980%0.80473%0.734SS**  trans169.6113.5140-93.9160.9-172.2175.70114.2
252N30.6Very low30.1Very low126 Ų126139.6 Ų139.667%0.67474%0.739SS**  40.5116.1127.4-56.61.4000118.4
253E31.3Very low30.2Very low165 Ų165136.3 Ų136.377%0.77174%0.735SS**  58.3125.179.4-76.3-159.8151.700115.4
254I33.6Very low30.3Very low159 Ų159137.1 Ų137.182%0.81574%0.74SS**  -162.9116.9129.2-94.1145.7000109.6
255N31.6Very low30.3Very low120 Ų120138.8 Ų138.864%0.64274%0.738SS**  trans2.2141.9146.9-50.7-50.3000118.1
256N31.2Very low30.6Very low150 Ų150139.4 Ų139.480%0.80274%0.74SS**  -173.4164.264-122.4-43.2000116.3
257S30.8Very low30.8Very low91 Ų91142.5 Ų142.564%0.63674%0.735SS**  trans-59.8153.9-178.2610000119.5
258K31.4Very low31Very low189 Ų189138.3 Ų138.382%0.82273%0.732SS**  176.5124.7112.4-99.5173.5-179.2175.20117.8
259S27.7Very low31Very low86 Ų86141.4 Ų141.460%0.60174%0.736SS**  trans33.1122.7136.165.50000122.9
260H30.8Very low31.3Very low163 Ų163142 Ų14276%0.75574%0.744SS**  163.9134.587.9-101.1-46.7000115.1
261N27.6Very low31.2Very low118 Ų118143.3 Ų143.363%0.63175%0.75SS**  trans5.9138.5144.5-50-18.3000120.7
262H32.6Very low31.1Very low183 Ų183146.2 Ų146.285%0.84776%0.756SS**  -173.8172.396.1-99.4-72.9000112.3
263S29.6Very low31.2Very low101 Ų101146 Ų14671%0.70676%0.764SS**  trans-126.5165.4-163.365.10000114.5
264S32Very low31.1Very low107 Ų107145.9 Ų145.975%0.74877%0.769SS**  141.9109.9125.163.50000117.5
265R29Very low31Very low203 Ų203149.5 Ų149.577%0.76677%0.772SS**  43.2127.4116.9-170.2-178-175.5167.54.6121E267R265-E267 IonicContact CZ-OE2 3.58Å; R265-E267 IonicContact NE-OE2 2.81Å; R265-E267 PolarHBondContact NE-OE2 3.08Å; R265-E267 IonicContact NH2-OE1 3.86Å; R265-E267 IonicContact NH2-OE2 2.66Å; R265-E267 PolarHBondContact NH2-OE2 2.63Å
266L34.3Very low30.7Very low174 Ų174155.9 Ų155.991%0.91179%0.788SS**  trans-156.3145.9135.7-122138.5000113.6
267E32.6Very low30.7Very low136 Ų136156.5 Ų156.564%0.63679%0.79SS**  trans-104.8165.5-173.8-69.9153.982.500112.3R265R265-E267 IonicContact CZ-OE2 3.58Å; R265-E267 IonicContact NE-OE2 2.81Å; R265-E267 PolarHBondContact NE-OE2 3.08Å; R265-E267 IonicContact NH2-OE1 3.86Å; R265-E267 IonicContact NH2-OE2 2.66Å; R265-E267 PolarHBondContact NH2-OE2 2.63Å
268G32.6Very low30.6Very low75 Ų75159.7 Ų159.777%0.77380%0.798SS**  trans-173.762.7178.200000118.8
269H30Very low30.4Very low161 Ų161158.3 Ų158.375%0.74579%0.792SS**  trans1138.7159.6-82-90.3000121.5
270L34.8Very low30.5Very low177 Ų177160 Ų16093%0.92780%0.801SS**  -164137.6114.8-105.1162.7000113.6
271L29.2Very low30.4Very low140 Ų140158.8 Ų158.873%0.73380%0.796SS**  trans-110.5138.8-175.7-77.7154.4000111.7
272R29.6Very low30.3Very low246 Ų246163.2 Ų163.293%0.92881%0.81SS**  trans144.8115135-84.7176.8161-163.6-3.4114.1
273S33.6Very low29.9Very low122 Ų122163.9 Ų163.985%0.85381%0.813SS**  -168.1137.2128.8-169.50000111
274N27.8Very low29.7Very low163 Ų163163.7 Ų163.787%0.87282%0.818SS**  trans-85.5115-174.9-70.9-47.5000112.5
275R31.7Very low29.4Very low235 Ų235168 Ų16889%0.88783%0.826SS**  trans-139.5140.8148.3-76.9-165.4173.3175-1.1110.4L277R275-L277 PolarHBondContact O-N 3.09Å
276R26.2Very low29.2Very low254 Ų254165.7 Ų165.796%0.95882%0.824SS**  trans-67.1111.4-175.5-66.6172.9174.9165.7-3.6110.2
277L30.4Very low28.9Very low163 Ų163165.5 Ų165.585%0.85382%0.823SS**PPolyproline II helixtrans-89.2136.6162-103.780.9000109.8R275R275-L277 PolarHBondContact O-N 3.09Å
278I29.6Very low28.6Very low158 Ų158166.7 Ų166.781%0.8183%0.829SS**PPolyproline II helixtrans-83.3128.7163.8-63.7168.7000106P280I278-P280 WeakPolarHBondContact O-CD 3.43Å
279K27.3Very low28.3Very low160 Ų160169.3 Ų169.370%0.69682%0.821SS**PPolyproline II helixtrans-68.8130.7175.5-77.4-176.8163.6-164.60110.8E281K279-E281 HydrophobicContact CD-CG 4.35Å; K279-E281 WeakPolarHBondContact CD-OE1 3.37Å; K279-E281 WeakPolarHBondContact CE-OE1 3.4Å; K279-E281 IonicContact NZ-OE1 2.81Å; K279-E281 PolarHBondContact NZ-OE1 2.78Å
280P29.4Very low28.1Very low122 Ų122169.1 Ų169.179%0.79283%0.825SS**PPolyproline II helixtrans-93.5118.7145.432.4-22.2000108.7I278I278-P280 WeakPolarHBondContact O-CD 3.43Å
281E28.3Very low27.8Very low137 Ų137167.4 Ų167.464%0.6482%0.816SS**  trans-108.6101.4166-78.9174.5176.300107.6K279K279-E281 HydrophobicContact CD-CG 4.35Å; K279-E281 WeakPolarHBondContact CD-OE1 3.37Å; K279-E281 WeakPolarHBondContact CE-OE1 3.4Å; K279-E281 IonicContact NZ-OE1 2.81Å; K279-E281 PolarHBondContact NZ-OE1 2.78Å
282F26.3Very low27.6Very low211 Ų211168 Ų16893%0.92582%0.819SS**  trans-173.7114.2140.7-114.2-76.5000108.8
283E24.1Very low27.4Very low196 Ų196163.3 Ų163.392%0.91681%0.807SS**  trans-91137.7167.3-69.5174146.300108.8
284A25.4Very low27Very low98 Ų98161.8 Ų161.881%0.8180%0.802SS**  trans-143.8143.1161.300000107.6
285E24.4Very low26.9Very low197 Ų197163.1 Ų163.192%0.92180%0.795SS**  trans-66.6133.6-152.8-66168.6129.600115.2L287E285-L287 PolarHBondContact O-N 2.84Å
286Q24.7Very low26.6Very low154 Ų154157.8 Ų157.872%0.7278%0.784SS**  trans-87.390.9-177.5-171.5-179.212.300110.5Q288 E289Q286-Q288 PolarHBondContact O-N 3.43Å; Q286-Q288 VanDerWaalsContact O-N 3.1Å; Q286-E289 PolarHBondContact NE2-OE1 3.24Å
287L28.1Very low26.6Very low170 Ų170151.2 Ų151.289%0.8977%0.772SS**  trans-7892.3169.9-90.5167.3000111.1E285E285-L287 PolarHBondContact O-N 2.84Å
288Q28.2Very low26.4Very low161 Ų161146.6 Ų146.675%0.75276%0.763SS**  trans43.1109.5155.5-142.21476.300118.5Q286Q286-Q288 PolarHBondContact O-N 3.43Å; Q286-Q288 VanDerWaalsContact O-N 3.1Å
289E26Very low26.2Very low131 Ų131145.3 Ų145.361%0.61276%0.763SS**  trans-74.2128.9-173.1-57.2176.4145.900113.5Q286 I291Q286-E289 PolarHBondContact NE2-OE1 3.24Å; E289-I291 HydrophobicContact CB-CG1 4.46Å
290N26Very low26.2Very low157 Ų157145.4 Ų145.484%0.8477%0.769SS**  trans-117.991.5160.1-90.6-32.5000109.1L292N290-L292 PolarHBondContact O-N 3.29Å; N290-L292 VanDerWaalsContact O-N 3.16Å
291I27.3Very low26.1Very low140 Ų140142.4 Ų142.472%0.71876%0.761SS**  trans-77.199.1179-59.4175.6000109.2E289 E293E289-I291 HydrophobicContact CB-CG1 4.46Å; I291-E293 PolarHBondContact O-N 3.03Å
292L25.2Very low25.9Very low152 Ų152144.5 Ų144.580%0.79677%0.771SS**  trans-81.397.5173-87.8156.4000111.1N290 A294N290-L292 PolarHBondContact O-N 3.29Å; N290-L292 VanDerWaalsContact O-N 3.16Å; L292-A294 PolarHBondContact O-N 3.28Å; L292-A294 VanDerWaalsContact O-N 3.08Å
293E25.3Very low25.9Very low149 Ų149140.5 Ų140.570%0.69676%0.763SS**  trans-73.189.1161.8-82.3-152.4141.900110.4I291 R295I291-E293 PolarHBondContact O-N 3.03Å; E293-R295 PolarHBondContact O-N 2.88Å; E293-R295 VanDerWaalsContact O-N 3.16Å
294A25.7Very low25.9Very low90 Ų90136.2 Ų136.274%0.74475%0.75SS**  trans-77.295.9170.300000111L292L292-A294 PolarHBondContact O-N 3.28Å; L292-A294 VanDerWaalsContact O-N 3.08Å
295R24.7Very low25.9Very low190 Ų190136.7 Ų136.772%0.71775%0.745SS**  trans-88.2113.3166.7-77.5-172.5177.9-176.41.5110.5E293 T297E293-R295 PolarHBondContact O-N 2.88Å; E293-R295 VanDerWaalsContact O-N 3.16Å; R295-T297 PolarHBondContact O-N 3.15Å
296L25.1Very low26.1Very low124 Ų124133.2 Ų133.265%0.64974%0.737SS**  trans-88.191.1-178.4-156.5143.1000110.6M165 G298M165-L296 HydrophobicContact CE-CD1 3.82Å; M165-L296 HydrophobicContact SD-CD1 4.11Å; L296-G298 PolarHBondContact O-N 3.24Å
297T28.1Very low26.1Very low115 Ų115133.2 Ų133.271%0.70674%0.742SS**  trans-84.979.8176.633.30000111.3R295 T299R295-T297 PolarHBondContact O-N 3.15Å; T297-T299 PolarHBondContact O-N 2.95Å
298G25Very low26.2Very low66 Ų66132 Ų13268%0.6874%0.735SS**  trans-6694.8174.700000112.8L296L296-G298 PolarHBondContact O-N 3.24Å
299T26Very low26.2Very low131 Ų131132.5 Ų132.580%0.80474%0.735SS**  trans-84.9113.3166.338.40000109.9T297 G301T297-T299 PolarHBondContact O-N 2.95Å; T299-G301 VanDerWaalsContact C-N 3.33Å; T299-G301 PolarHBondContact O-N 3.42Å
300I26.5Very low26.3Very low162 Ų162133.3 Ų133.383%0.83174%0.743SS**  trans-70.593.4171.2-61.9172.8000107.8
301G26.8Very low26.4Very low60 Ų60133.3 Ų133.362%0.61974%0.738SS**  trans-57.8139.5168.200000110.5T299 V303T299-G301 VanDerWaalsContact C-N 3.33Å; T299-G301 PolarHBondContact O-N 3.42Å; G301-V303 PolarHBondContact O-N 2.94Å
302Q25.8Very low26.3Very low181 Ų181134.6 Ų134.685%0.84675%0.745SS**  trans-50.5121.4-169.2-70.6174.3-19.500113.2V304Q302-V304 PolarHBondContact O-N 3.4Å
303V25.5Very low26.5Very low126 Ų126132.8 Ų132.876%0.76474%0.74SS**  trans-69100.2162-179.80000107.4G301 P305G301-V303 PolarHBondContact O-N 2.94Å; V303-P305 VanDerWaalsContact O-CD 3.25Å; V303-P305 WeakPolarHBondContact O-CD 3.37Å
304V24.3Very low26.5Very low106 Ų106132.4 Ų132.464%0.64274%0.743SS**  trans-79.8112.3167.6179.40000107.5Q302 V306Q302-V304 PolarHBondContact O-N 3.4Å; V304-V306 PolarHBondContact O-N 2.83Å
305P26.1Very low26.8Very low108 Ų108136.3 Ų136.370%0.70175%0.751SS**  trans-69105.2175.728.2-33.1000109.2V303 N307V303-P305 VanDerWaalsContact O-CD 3.25Å; V303-P305 WeakPolarHBondContact O-CD 3.37Å; P305-N307 PolarHBondContact O-N 3.25Å
306V26.9Very low26.8Very low125 Ų125133.6 Ų133.676%0.75875%0.751SS**  trans-70.399.6169.5-179.90000107.6V304 I308V304-V306 PolarHBondContact O-N 2.83Å; V306-I308 PolarHBondContact O-N 2.84Å
307N26.6Very low27Very low154 Ų154132.4 Ų132.482%0.82475%0.753SS**  trans-66.894.6175.5-128.6-3.8000108.4P305 K309P305-N307 PolarHBondContact O-N 3.25Å; N307-K309 PolarHBondContact O-N 2.8Å
308I28.8Very low27Very low143 Ų143132.7 Ų132.773%0.73375%0.754SS**  trans-67.6103.1172.5-58.3177.7000106.7V306 N310V306-I308 PolarHBondContact O-N 2.84Å; I308-N310 PolarHBondContact O-N 2.77Å
309K28Very low27.1Very low173 Ų173135.6 Ų135.675%0.75276%0.759SS**  trans-59.4124.2171-77.6-177.8174.3-179.40108.5N307 E311N307-K309 PolarHBondContact O-N 2.8Å; K309-E311 PolarHBondContact O-N 2.88Å
310N27.8Very low27.2Very low147 Ų147132.7 Ų132.779%0.78676%0.755SS**  trans-6981.7168.4-76-21.6000110I308 L312I308-N310 PolarHBondContact O-N 2.77Å; N310-L312 PolarHBondContact O-N 2.85Å
311E28.6Very low27.2Very low157 Ų157132.2 Ų132.273%0.73475%0.751SS**  trans-78.970.3161.4-77.1-173.7175.500110K309 V313K309-E311 PolarHBondContact O-N 2.88Å; E311-V313 HydrophobicContact CB-CG2 4.27Å; E311-V313 HydrophobicContact CG-CG2 4.49Å; E311-V313 PolarHBondContact O-N 2.83Å
312L24.6Very low27.4Very low167 Ų167136.6 Ų136.687%0.87476%0.76SS**  trans-68.480.5152.6-94.7158000107.8N310N310-L312 PolarHBondContact O-N 2.85Å
313V30.3Very low27.7Very low114 Ų114135.3 Ų135.369%0.69175%0.754SS**  trans-120.1123.3173.9-176.70000109.8E311 L315E311-V313 HydrophobicContact CB-CG2 4.27Å; E311-V313 HydrophobicContact CG-CG2 4.49Å; E311-V313 PolarHBondContact O-N 2.83Å; V313-L315 PolarHBondContact O-N 2.98Å
314N26.4Very low27.9Very low142 Ų142136.3 Ų136.376%0.75975%0.75SS**  trans-51.2125.3-177-61.5-55000113.6
315L30.7Very low28.4Very low171 Ų171137.5 Ų137.590%0.89575%0.753SS**  trans-113.467.8151.2-97.7158.9000109.1V313V313-L315 PolarHBondContact O-N 2.98Å
316N25.8Very low28.6Very low134 Ų134140.3 Ų140.372%0.71775%0.754SS**  trans-77.9157.8151.6-96.1-23.3000108.5
317S28.5Very low28.8Very low99 Ų99141.3 Ų141.369%0.69275%0.75SS**  trans77.6137.1175.995.20000114.9
318T27.7Very low29Very low121 Ų121142.5 Ų142.574%0.74275%0.748SS**  cis-166.2157.5-14.230000111
319V28Very low29.1Very low127 Ų127139.4 Ų139.477%0.7774%0.739SS**  trans74.1137.9146170.10000119.3M321V319-M321 HydrophobicContact CG1-CG 4.33Å
320G27.8Very low29.3Very low70 Ų70139 Ų13972%0.72274%0.74SS**  trans137.933.3177.200000112.3
321M27.2Very low29.5Very low152 Ų152137.9 Ų137.975%0.74974%0.739SS**  54.599.799.2-73.2-63.4156.700114.5V319V319-M321 HydrophobicContact CG1-CG 4.33Å
322N31.1Very low29.4Very low151 Ų151137.1 Ų137.181%0.80774%0.739SS**  trans-16596137-89.2-10.8000104.3
323E30.5Very low29.9Very low155 Ų155136.7 Ų136.772%0.72474%0.736SS**  82.5119.289.3-97.3-170.1172.700113.1
324H31.1Very low29.9Very low147 Ų147138.6 Ų138.668%0.68174%0.737SS**  trans63.1127.4167.4-64-73000117.7
325D33.3Very low30.2Very low130 Ų130136 Ų13670%0.69574%0.736SS**  cis-136.5135.64-79.8-51.6000110.1
326K30.5Very low30.3Very low168 Ų168136.4 Ų136.473%0.7373%0.731SS**  78.8123.372.1-128.1-176.1-178179.50114.6
327H30.5Very low30.6Very low145 Ų145136.6 Ų136.667%0.67174%0.737SS**  trans98.3131.5154.1-86.8-78.6000122.9
328F31.2Very low30.7Very low179 Ų179136.4 Ų136.479%0.78574%0.735SS**  trans67.6130.6170.1-60.9-80.9000118.8
329S31.9Very low31Very low78 Ų78136.3 Ų136.355%0.54574%0.735SS.*  cis-162150.1-20.3-115.30000111.1
330E31.8Very low31.2Very low166 Ų166138.9 Ų138.978%0.77674%0.738SS**  trans19.7137.6134.4-66.8155.6138.600119.2
331T31.7Very low31.1Very low122 Ų122140.8 Ų140.875%0.74874%0.74SS**  cis-162.9134.527.325.80000107.7
332N27Very low31.5Very low141 Ų141138 Ų13875%0.75473%0.733SS**  75142.669.5-1483.7000115.2
333I34.6Very low31.5Very low158 Ų158139.9 Ų139.981%0.8174%0.735SS**  trans109.9133.9175.3-61.5158.1000115
334H31.3Very low31.6Very low154 Ų154138.3 Ų138.371%0.71374%0.735SS**  cis175.2123.8-35.7-141.2-20.6000106.8
335A31.4Very low31.5Very low88 Ų88137.9 Ų137.973%0.72774%0.738SS**  trans173.4105148.500000108.6
336K33.4Very low31.3Very low180 Ų180136.4 Ų136.478%0.78373%0.733SS**  57.5117.785-68.1-174.8176.3179.90111.1
337T32.1Very low31.3Very low138 Ų138134.5 Ų134.585%0.84773%0.731SS**  -165.7163.550.833.50000109.8
338S31.5Very low31.2Very low94 Ų94134.3 Ų134.366%0.65773%0.731SS**  cis-171.9150.7-10.8-178.80000108.5
339T32.2Very low31Very low119 Ų119132.2 Ų132.273%0.7373%0.727SS**  trans50.9141.2151.942.90000120.2
340E32.6Very low30.8Very low182 Ų182132.8 Ų132.885%0.8573%0.731SS**  cis-15816126.7-141.6161.2-16200112
341S25.9Very low30.5Very low109 Ų109130.1 Ų130.176%0.76273%0.73SS**  trans-121.2-160.3-175.854.70000109.1
342P35.1Very low30.4Very low93 Ų93128.6 Ų128.660%0.60473%0.725SS**  cis-153.7-166.67.547.7-26.9000118.5
343K33Very low30.6Very low192 Ų192129 Ų12984%0.83573%0.727SS**  trans71.8147.9152.2-71.2172.5-171.7176.30118
344V31.6Very low30.4Very low121 Ų121127 Ų12773%0.73372%0.718SS**  cis-162.7136.3-5117.60000107.7
345N29Very low30.6Very low138 Ų138126.7 Ų126.774%0.73872%0.72SS**  49.9143.4112.7-131.212000115.9
346V29.4Very low30.7Very low99 Ų99128.2 Ų128.260%0.672%0.716SS**  cis-162.9154.726-145.70000109.1
347N31Very low30.6Very low129 Ų129126 Ų12669%0.6971%0.713SS**  trans54.8168.3147.9-73.421.4000120.1
348E27.7Very low30.6Very low140 Ų140125.1 Ų125.165%0.65471%0.708SS**  cis-166169.7-31.4-109.2-176.9129.400107.6
349L28.1Very low30.7Very low136 Ų136125.2 Ų125.271%0.71271%0.708SS**  trans60.1110.9146.6-71158.6000120.6
350S26.2Very low30.5Very low90 Ų90126.9 Ų126.963%0.62971%0.712SS**  84.7120.1119.6-60.60000121.6
351S26.7Very low30.4Very low109 Ų109122 Ų12276%0.76270%0.698SS**  trans65.4137.7132.473.70000118
352S29.4Very low30.7Very low91 Ų91124.1 Ų124.164%0.63670%0.699SS**  167.5172.567.552.30000110.3
353L31.2Very low30.2Very low150 Ų150123.7 Ų123.779%0.78570%0.698SS**  trans67.4144.3158.4-90.480.6000118
354D30.6Very low30Very low116 Ų116124 Ų12462%0.6270%0.7SS**  cis-165.7178.9-16.8-145.1-15.4000111.1
355L34.1Very low29.8Very low146 Ų146122.9 Ų122.976%0.76470%0.697SS**  trans74.9147.6159.9-58.3131000119.1
356N33.2Very low29.7Very low120 Ų120121.9 Ų121.964%0.64270%0.696SS**  cis-169.9156.4-43.7-118.8-27.1000110.3
357N32.9Very low29.7Very low133 Ų133124.1 Ų124.171%0.71170%0.704SS**  trans95.3106.3159.2-55.3-30.8000118.6
358T30.7Very low29.5Very low121 Ų121124.2 Ų124.274%0.74271%0.705SS**  62.5132.392.93.70000113.6
359S33.7Very low29.5Very low95 Ų95123.7 Ų123.766%0.66471%0.705SS**  cis-164.314527.454.10000114.5
360L29.1Very low29.3Very low155 Ų155125.2 Ų125.281%0.81271%0.709SS**  trans53148.2139.2-80.386.8000120.9
361S31Very low29.4Very low80 Ų80126.3 Ų126.356%0.55972%0.717SS**  cis-179.5152.3-9.650.30000111.9
362I30.5Very low29.4Very low152 Ų152127.6 Ų127.678%0.77972%0.715SS**  trans59.8111.4143.5-64.1162.4000116.6
363S26.3Very low29.5Very low85 Ų85130.6 Ų130.659%0.59472%0.719SS**  cis93.2142.439.3830000115.4
364K28.8Very low29.2Very low198 Ų198130.4 Ų130.486%0.86172%0.718SS**  trans76.4148.1168.1-63177.1-177.4178.40115.8
365S26.6Very low29Very low97 Ų97128.9 Ų128.968%0.67872%0.717SS**  cis-176.7151-10.450.10000112.9
366V27.6Very low28.5Very low117 Ų117128.8 Ų128.871%0.70972%0.716SS**  trans74129.8132.8164.90000121.4
367N28.8Very low28.2Very low146 Ų146130.2 Ų130.278%0.78172%0.722SS**  trans66.9161.1154.9-70.4-4.5000120.2
368N25.7Very low27.7Very low131 Ų131128.5 Ų128.570%0.70172%0.716SS**  cis-178.5177.6-29.3-167.97.7000106
369I27.5Very low27.4Very low130 Ų130128.5 Ų128.567%0.66772%0.716SS**  trans73.2111.1163.7-57161.4000113.6
370Q25.6Very low27Very low167 Ų167129.3 Ų129.378%0.7872%0.717SS**  93.9147.654.7177.7-175.95.500112.8
371S26.8Very low26.9Very low114 Ų114126.9 Ų126.980%0.79771%0.709SS**  trans74.1153.1170.473.40000117.4
372N27Very low26.7Very low135 Ų135129.6 Ų129.672%0.72272%0.718SS**  cis-168.4-170.3-32-166.517.7000106.6
373E31Very low26.8Very low154 Ų154129.4 Ų129.472%0.7272%0.717SS**  trans78.9119.2161.4-68.6167.3-159.900115.5
374N25.9Very low26.9Very low146 Ų146129.3 Ų129.378%0.78172%0.716SS**  63.213173-68.5-22.1000111.6
375S25.8Very low26.9Very low85 Ų85126 Ų12659%0.59471%0.708SS**  cis-179.6-178.72.743.70000109.3
376I24.9Very low27Very low144 Ų144127.3 Ų127.374%0.73871%0.708SS**  trans81.7133.3133.6-94.3167000120.8
377I25.4Very low27.1Very low149 Ų149127 Ų12776%0.76470%0.702SS**  trans81.4143.8152.1-77167.5000120.9
378T23.2Very low27Very low98 Ų98127.2 Ų127.260%0.60170%0.703SS**  cis170.2117.9-33.5-76.90000105.7
379T23.9Very low27.3Very low121 Ų121125.9 Ų125.974%0.74270%0.701SS**  trans56.5179.9151.760.70000122.9
380T26.1Very low27.2Very low111 Ų111124.9 Ų124.968%0.68170%0.7SS**  trans81.690.8158.946.40000116.1
381T26.6Very low27.2Very low105 Ų105123.3 Ų123.364%0.64470%0.697SS**  74.1125.376.160.70000113.5
382N27.6Very low27.1Very low137 Ų137123.6 Ų123.673%0.73369%0.685SS**  167.6157.6105.6-89.5-39.1000113
383L32.3Very low27Very low147 Ų147126.2 Ų126.277%0.7769%0.687SS**  trans72116.9163.1-58.4137000115
384S28Very low26.8Very low83 Ų83122.9 Ų122.958%0.5868%0.681SS**  cis67.1137.833.6101.70000111.5
385D29.1Very low26.8Very low129 Ų129125.3 Ų125.369%0.6968%0.684SS**  cis-150.5167.722.8-89.5-55.3000113.4
386D27.8Very low26.9Very low124 Ų124126.1 Ų126.166%0.66369%0.69SS**  trans84122.7131.8-87.212.2000126.3
387N29.7Very low27Very low112 Ų112126 Ų12660%0.59969%0.69SS**  trans85.2104.3134.6-61.3-32.3000119.7
388L27.2Very low27Very low150 Ų150125.3 Ų125.379%0.78569%0.686SS**  65.7153.267.8-70.1172.4000113.6
389P32.6Very low27.2Very low102 Ų102125.4 Ų125.466%0.66269%0.691SS**  cis-145.1-151.5-27.834.3-11.2000113.1
390V25.3Very low27.3Very low109 Ų109124.2 Ų124.266%0.66169%0.688SS**  trans82.4103.6152.6168.50000114.8
391L24.8Very low27.4Very low135 Ų135124.8 Ų124.871%0.70769%0.691SS**  69.9144.682.4-67.2157.5000111
392Q25.1Very low27.5Very low119 Ų119125.8 Ų125.856%0.55670%0.697SS**  cis-171.8162.126.2-138.9159.18.900111.5
393Y25.8Very low27.5Very low190 Ų190124.1 Ų124.175%0.74570%0.696SS**  trans64.8152.1153.3-61.9-45.4000119.7
394S25Very low27.2Very low85 Ų85124.5 Ų124.559%0.59470%0.699SS**  cis-171.8151.5-22.457.80000112.2
395K26.5Very low27.1Very low197 Ų197129.1 Ų129.186%0.85772%0.715SS**  trans69150.9147-74.1167178.1177.20119.7
396S27.1Very low27Very low102 Ų102126.6 Ų126.671%0.71371%0.708SS**  trans83.1122.5144.3-175.70000117.4
397L27.3Very low26.9Very low140 Ų140125.7 Ų125.773%0.73371%0.711SS**  cis-164.1147.4-3.1-138.170.4000109.7
398I26.5Very low26.8Very low136 Ų136128.7 Ų128.770%0.69772%0.721SS**  trans50.7103.5140.7-71171.8000118
399S26.5Very low26.8Very low99 Ų99130.2 Ų130.269%0.69272%0.724SS**  81.8152.697.4-51.60000113.8
400S27.4Very low26.5Very low97 Ų97131 Ų13168%0.67873%0.727SS**  cis-155.612416.1-6.50000107.7
401T28.3Very low26.6Very low123 Ų123131.2 Ų131.276%0.75573%0.73SS**  66.8143.682.565.30000113.9
402V28.1Very low26.7Very low125 Ų125131.8 Ų131.876%0.75873%0.732SS**  cis-170.3155.8-2.4120.80000105.1
403S27.1Very low26.7Very low103 Ų103132.8 Ų132.872%0.7275%0.746SS**  -153.8120.250.8-40.90000113.1
404N25.3Very low26.8Very low154 Ų154128.6 Ų128.682%0.82475%0.745SS**  trans-109.7129.9152.3-93.8-19.7000107.2S406N404-S406 PolarHBondContact O-N 3.01Å
405I25.8Very low26.7Very low181 Ų181131.9 Ų131.993%0.92876%0.756SS**  trans-85.681.5159.2-60.8179000106
406S28.2Very low26.8Very low76 Ų76130.5 Ų130.553%0.53176%0.757SS.*  trans-80.5139.8176.5-179.70000110.5N404 H408N404-S406 PolarHBondContact O-N 3.01Å; S406-H408 PolarHBondContact O-N 2.69Å
407S26.2Very low26.7Very low104 Ų104135.3 Ų135.373%0.72777%0.765SS**  trans-44.3129.5157.748.30000111.8
408H27.6Very low26.6Very low176 Ų176135 Ų13582%0.81577%0.769SS**  trans-112.3109.7160.5-98.9-74000109.6S406S406-H408 PolarHBondContact O-N 2.69Å
409H26.8Very low26.5Very low182 Ų182133.2 Ų133.284%0.84377%0.766SS**  trans-68.5123.9160.4-115.8-87.2000108.6
410T26.6Very low26.4Very low118 Ų118134 Ų13472%0.72477%0.772SS**  trans-102114.3162.54.60000108.7
411P26.7Very low26.4Very low114 Ų114136.4 Ų136.474%0.7478%0.776SS**  trans-84.1115.9168.831.8-28.8000109.1
412I27.3Very low26.4Very low146 Ų146135.1 Ų135.175%0.74977%0.769SS**  trans-125.7114.2167-62.7-179.2000108
413V25Very low26.4Very low140 Ų140137.6 Ų137.685%0.84878%0.776SS**  trans-97.9114.9170.7173.30000107.4
414S27.6Very low26.5Very low102 Ų102137 Ų13771%0.71377%0.769SS**  trans-162.3141.4149.5-22.80000110.8
415D23.7Very low26.7Very low155 Ų155138.7 Ų138.783%0.82977%0.771SS**  trans-52.1138179.1-55.4-80.1000115.3
416L27.9Very low26.8Very low168 Ų168135.5 Ų135.588%0.8876%0.76SS**  -159.2139.4129.6-132.873.7000112.3
417K24.9Very low26.8Very low202 Ų202139.3 Ų139.388%0.87877%0.773SS**  trans-71.9124.7173.8-63.6167.7176.5172.60111.1
418T25.8Very low27.1Very low133 Ų133140.8 Ų140.882%0.81677%0.773SS**  trans-164.6161.9146.913.60000110.4
419P24.8Very low27.2Very low99 Ų99138.7 Ų138.764%0.64377%0.768SS**  trans-95173.4-144.137.8-39.4000115.2I421P419-I421 PolarHBondContact O-N 3.24Å; P419-I421 VanDerWaalsContact O-N 3.14Å
420S24.3Very low27.5Very low117 Ų117139.6 Ų139.682%0.81877%0.769SS**  trans-35.4109.7163.6510000113.9
421I27.5Very low27.7Very low147 Ų147141.4 Ų141.475%0.75477%0.774SS**  trans-94.9122.5166.4-65174.5000107.4P419P419-I421 PolarHBondContact O-N 3.24Å; P419-I421 VanDerWaalsContact O-N 3.14Å
422P26.7Very low28Very low95 Ų95144.2 Ų144.262%0.61778%0.775SS**  trans-68.3138.116930.3-32.6000108.7V424P422-V424 HydrophobicContact CG-CG2 4.17Å; P422-V424 WeakPolarHBondContact O-CG2 3.35Å; P422-V424 PolarHBondContact O-N 2.94Å
423I29.1Very low28.1Very low177 Ų177145.5 Ų145.591%0.90878%0.777SS**  trans-76.4100.2167.4-65.9-179.6000106.6
424V28.3Very low28.2Very low92 Ų92144.8 Ų144.856%0.55878%0.777SS**  trans-68.4139.3-167.1175.70000112.4P422 T426P422-V424 HydrophobicContact CG-CG2 4.17Å; P422-V424 WeakPolarHBondContact O-CG2 3.35Å; P422-V424 PolarHBondContact O-N 2.94Å; V424-T426 PolarHBondContact O-N 3.14Å; V424-T426 PolarHBondContact O-OG1 3.45Å
425E29.9Very low28.2Very low188 Ų188147.4 Ų147.488%0.87978%0.782SS**  trans-52.498.9161.7-64.7164.6115.300110.3
426T27Very low28.5Very low114 Ų114145.9 Ų145.970%0.69977%0.774SS**  trans-131.542.1-171.2-31.30000114.3V424V424-T426 PolarHBondContact O-N 3.14Å; V424-T426 PolarHBondContact O-OG1 3.45Å
427I28.9Very low28.6Very low157 Ų157147.9 Ų147.981%0.80577%0.771SS**SBendtrans-131-25.9167.8-62.1-174.5000113.8
428D31.8Very low29.2Very low135 Ų135145.8 Ų145.872%0.72277%0.765SS**G310 helixtrans-89.9-6.3-168.5-125.6-9.1000116.4
429D31.2Very low29.6Very low132 Ų132146.6 Ų146.671%0.70676%0.764SS**G310 helixtrans-94.23.7-178.4-83.6-27.8000115.2
430K31.7Very low29.9Very low200 Ų200149.2 Ų149.287%0.8777%0.771SS**G310 helixtrans-1034.6175.5-79-167174.7-176.20115.6
431L32.2Very low30.3Very low157 Ų157149.1 Ų149.182%0.82277%0.767SS**SBendtrans-112.310.9171.8-77.2168.7000113.6
432K31.9Very low30.4Very low173 Ų173149.9 Ų149.975%0.75277%0.77SS**SBendtrans-101.311.6178.4-100.3175.9-178.3165.70115.2
433Q29.3Very low30.7Very low172 Ų172153.1 Ų153.180%0.80478%0.78SS**SBendtrans-129.6146.7170.1-70-179-6.200109.3
434C27.2Very low30.9Very low125 Ų125151 Ų15185%0.84577%0.771SS**  trans76.560.6176.8-54.40000118
435L28.4Very low31.1Very low157 Ų157155.3 Ų155.382%0.82279%0.785SS**  trans-131.589137.6-82.2178.2000108.9
436N30.5Very low31.2Very low123 Ų123154 Ų15466%0.65878%0.784SS**  trans-77.8129.4171.9-164.534.6000108.8E438N436-E438 VanDerWaalsContact C-N 3.28Å; N436-E438 PolarHBondContact ND2-OE2 2.81Å; N436-E438 PolarHBondContact O-N 3.47Å; N436-E438 VanDerWaalsContact O-N 3.13Å
437Y29.9Very low31.5Very low211 Ų211155 Ų15583%0.82779%0.79SS**THydrogen-bonded Turntrans-88.235-164.7-102.6-91.7000114.2
438E36.2Very low31.5Very low157 Ų157153.7 Ų153.773%0.73479%0.789SS**THydrogen-bonded Turntrans-116.5-6.3-170.2-67.9-171.5134.600116.1N436N436-E438 VanDerWaalsContact C-N 3.28Å; N436-E438 PolarHBondContact ND2-OE2 2.81Å; N436-E438 PolarHBondContact O-N 3.47Å; N436-E438 VanDerWaalsContact O-N 3.13Å
439D34.5Very low31.6Very low151 Ų151152.4 Ų152.481%0.80779%0.791SS**  trans-11623.9-170-80.3-46.7000116
440I32Very low31.6Very low154 Ų154154.4 Ų154.479%0.7980%0.796SS**  trans-111.4112.6173-57.5-178.7000110.2M442I440-M442 PolarHBondContact O-N 3.11Å
441P31.8Very low31.4Very low114 Ų114151.2 Ų151.274%0.7479%0.787SS**  trans-70.7118.1-179.727.8-33.1000111I443P441-I443 PolarHBondContact O-N 2.81Å
442M30.7Very low31.4Very low163 Ų163152 Ų15280%0.80378%0.783SS**  trans-66.8124.6173-165.517072.100109.6I440I440-M442 PolarHBondContact O-N 3.11Å
443I33.2Very low31.3Very low163 Ų163151.6 Ų151.684%0.83679%0.785SS**  trans-88.1112.3172.7-63.9176.6000107.4P441P441-I443 PolarHBondContact O-N 2.81Å
444D31.7Very low31.3Very low133 Ų133148.9 Ų148.971%0.71178%0.78SS**  trans-61.4135174.7-89.3-41.9000111.9
445E34.1Very low31.4Very low183 Ų183148.6 Ų148.686%0.85577%0.774SS**  trans-90.3111.5153.5-80.1-158.6143.400109V447E445-V447 PolarHBondContact O-N 2.79Å; E445-V447 VanDerWaalsContact O-N 3.14Å
446D31.7Very low31.5Very low159 Ų159146.6 Ų146.685%0.8577%0.769SS**  trans-54.7113.9171.7-86-50.9000111.8
447V32.5Very low31.5Very low136 Ų136148.4 Ų148.482%0.82477%0.773SS**  trans-120.9108.5155.8-179.10000109.4E445E445-V447 PolarHBondContact O-N 2.79Å; E445-V447 VanDerWaalsContact O-N 3.14Å
448T29.7Very low31.4Very low129 Ų129144 Ų14479%0.79177%0.771SS**  trans-70.1131.1175.224.80000112.3
449S32.5Very low31Very low108 Ų108147.3 Ų147.376%0.75578%0.776SS**  176.1113.9117.655.10000115.2
450E31.7Very low30.6Very low174 Ų174144.3 Ų144.381%0.81377%0.767SS**  trans51.5105.2133.1-58.6-166.6134.300124
451I27.8Very low30.4Very low133 Ų133144 Ų14468%0.68277%0.767SS**  63.899.2115.5-58.6157.5000119.8
452K31.6Very low30.2Very low173 Ų173143.2 Ų143.275%0.75276%0.764SS**  178.5125109.2-105143.3-177.3177.50110.3
453Q29.7Very low30Very low166 Ų166141.8 Ų141.878%0.77676%0.758SS**  55.1122.394.7-112.5175.1-3.800112.4
454T30.3Very low29.8Very low115 Ų115142.5 Ų142.571%0.70676%0.755SS**  cis-161.5144.231.6-39.20000112.1
455T28.1Very low29.8Very low118 Ų118144.2 Ų144.272%0.72476%0.756SS**  trans8.9137.1148-34.30000120
456T31.6Very low29.7Very low116 Ų116140.9 Ų140.971%0.71274%0.744SS**  170.6126.697.7-52.50000114.3
457E29.9Very low29.9Very low160 Ų160139.4 Ų139.475%0.74874%0.736SS**  trans40.9141157.7-65.2-167.7173.800125.7
458P28.3Very low29.8Very low120 Ų120138.7 Ų138.778%0.77973%0.728SS**  trans-102.9142.8164.738.4-30.3000114
459R28.7Very low29.9Very low225 Ų225139.1 Ų139.185%0.84973%0.731SS**  trans-167.4154.2165.2-97.1175.2-168.4-178.75.4107.5
460S25.8Very low29.6Very low88 Ų88139.9 Ų139.962%0.61573%0.725SS**  cis178.9170.4-21.350.30000107.9
461L26.3Very low29.5Very low149 Ų149139 Ų13978%0.7873%0.725SS**  trans82.2121.5154.9-104.480.4000121.1
462S28.4Very low29.5Very low97 Ų97138 Ų13868%0.67873%0.725SS**  94.2149.6117.185.10000119.7
463I27.2Very low29.2Very low132 Ų132136.3 Ų136.368%0.67772%0.723SS**  cis-168.8141.6-17.9-116.1165000110.3
464K29.1Very low29.2Very low179 Ų179134.9 Ų134.978%0.77873%0.726SS**  trans62.1163.8158.9-68.6174-168.7-1790117.2
465K31.3Very low29Very low168 Ų168135 Ų13573%0.7373%0.726SS**  cis-157.2140.925.6-161.2173.7177.8-164.30114.2
466D31.7Very low29.2Very low113 Ų113136.4 Ų136.460%0.60473%0.734SS**  trans26.3152.1144.3-34.5-26.1000120.3
467D36Very low28.9Very low129 Ų129136 Ų13669%0.6974%0.736SS**  cis-166.3143.445.4-105.8-48.1000115.6
468N30.1Very low29.1Very low120 Ų120133.7 Ų133.764%0.64274%0.735SS**  trans35.7121.6141.6-60.9-37.1000125.4
469T31.6Very low29.3Very low139 Ų139133.5 Ų133.585%0.85373%0.732SS**  173.1149.3105.2270000110.5
470I27.7Very low29.4Very low124 Ų124129 Ų12964%0.63673%0.73SS**  cis168.5153.1-32-99.6170.9000105.9
471L28.9Very low29.8Very low155 Ų155130.5 Ų130.581%0.81274%0.738SS**  trans74.7134172.2-72.2157.3000117.7
472T27.7Very low30.1Very low113 Ų113128 Ų12869%0.69373%0.733SS**  cis-150.1141-0.8-50.90000113.8
473I25.8Very low30.1Very low137 Ų137129.1 Ų129.170%0.70374%0.735SS**  trans-33.8144.3160.3-65.5148.6000114.9
474T29.8Very low30.3Very low136 Ų136130 Ų13083%0.83474%0.74SS**  -161.113394.1-58.40000114.7
475T25.6Very low30.6Very low117 Ų117126.1 Ų126.172%0.71873%0.733SS**  trans-103.5146.1-179.148.50000113.2
476V31.7Very low30.6Very low147 Ų147125 Ų12589%0.89173%0.734SS**  trans-156.6147.8133.6-131.10000112.2
477S24.6Very low30.6Very low107 Ų107124.7 Ų124.775%0.74874%0.736SS**  trans-120-152.5177.9-490000109.6
478P35.6Very low30.4Very low112 Ų112124.5 Ų124.573%0.72774%0.739SS**  -119.7-159.3-74.932.7-13.6000112.9
479T31.7Very low30.5Very low117 Ų117125.4 Ų125.472%0.71874%0.743SS**  trans118.997.4150.370.80000121.6
480T30.3Very low30.3Very low131 Ų131126 Ų12680%0.80474%0.74SS**  56.3177123.664.90000122
481P34.5Very low30.3Very low119 Ų119124.9 Ų124.977%0.77374%0.743SS**  -135.8168.9-81.841.7-24.3000116
482S32.3Very low30.5Very low97 Ų97123.7 Ų123.768%0.67874%0.742SS**  trans-179.9123.6141.3179.20000112
483T29.8Very low30.7Very low119 Ų119124.6 Ų124.673%0.7375%0.75SS**  57.1137.182.57.40000114.7
484I31.6Very low30.6Very low150 Ų150125.5 Ų125.577%0.76976%0.755SS**  cis-152-172.122.4-32.8174.8000108.2
485P33.8Very low30.5Very low98 Ų98124.5 Ų124.564%0.63675%0.749SS**  -142.5-153.1-90.446.9-28.7000118.8
486I31.6Very low30.7Very low146 Ų146125.2 Ų125.275%0.74975%0.753SS**  trans88124.8147-81.9169.5000115.4
487T32.7Very low30.3Very low106 Ų106124.3 Ų124.365%0.6575%0.748SS**  cis-164.1136.917.10.60000115.4
488T31.5Very low30.6Very low124 Ų124124.8 Ų124.876%0.76175%0.751SS**  trans52.1157.113448.70000124.1
489I31.5Very low30.1Very low140 Ų140124.3 Ų124.372%0.71875%0.75SS**  cis-144.9126.74.3-82.7-141.1000106.2
490L28.4Very low29.9Very low152 Ų152124.8 Ų124.880%0.79675%0.754SS**  65.8142.392.3-134.573.3000115.5
491S27.8Very low29.9Very low99 Ų99124.2 Ų124.269%0.69276%0.755SS**  cis-166.3163.7-28.9-890000109.3
492T32.4Very low29.7Very low131 Ų131122.3 Ų122.380%0.80476%0.757SS**  trans-69.6172.6162.948.30000112.3
493P31.3Very low29.5Very low131 Ų131128 Ų12885%0.85177%0.769SS**  -134.2159.1116.637.8-29.5000114.8
494L25Very low29.6Very low156 Ų156127.8 Ų127.882%0.81777%0.773SS**  trans-107.4165.9-179.2-171.977.3000110
495V26.3Very low29.4Very low116 Ų116127.9 Ų127.970%0.70378%0.775SS**  trans75.4120.3163.1-159.40000116.2
496V30Very low29.4Very low131 Ų131131 Ų13179%0.79479%0.786SS**  -171.6133.8105155.50000109.5
497T24.9Very low29.2Very low128 Ų128132.1 Ų132.179%0.78579%0.788SS**  trans-76.5138.2175.4410000112.2
498S29.3Very low29.1Very low117 Ų117134 Ų13482%0.81879%0.793SS**  trans-174.2141.2134.349.20000112.2
499S24.8Very low28.9Very low102 Ų102138.5 Ų138.571%0.71380%0.796SS**  trans-70.7147.517446.90000112.9
500T29Very low28.8Very low128 Ų128137.9 Ų137.979%0.78580%0.799SS**  173.1142.8108340000113.5
501S29.3Very low28.7Very low119 Ų119139.8 Ų139.883%0.83280%0.801SS**  trans9.2131.3156.961.20000121.5
502G30.2Very low28.8Very low79 Ų79144.2 Ų144.281%0.81481%0.813SS**  trans179.993.716000000115.3
503K27.9Very low28.6Very low215 Ų215145.7 Ų145.794%0.93581%0.81SS**  trans-57.9130.9172.5-62163.1177.5169.50111.9
504S32.2Very low28.4Very low115 Ų115148.4 Ų148.480%0.80481%0.809SS**  -173.6139.3125.655.20000112.8
505N28.1Very low28.6Very low153 Ų153148.2 Ų148.282%0.81881%0.807SS**  trans-57.7142.9174.2-48.8-39000112
506N33.8Very low28.7Very low162 Ų162147.9 Ų147.987%0.86681%0.805SS**  trans-157.3133.1130.8-102.7-28.4000112.5
507E26.9Very low28.6Very low171 Ų171151.3 Ų151.380%0.79980%0.804SS**  trans-82.4111.8-176.8-178.3-174.9-173.100109.9
508I31.4Very low28.6Very low144 Ų144153.5 Ų153.574%0.73881%0.805SS**  trans-122107.1169.4-60.6-176.7000109.7T510I508-T510 PolarHBondContact O-N 2.84Å
509R25.9Very low28.7Very low219 Ų219154.8 Ų154.883%0.82680%0.798SS**  trans-64.9112.1168.6-77.2171.6161.8164.1-4.4110.7
510T30.5Very low28.7Very low128 Ų128156 Ų15679%0.78580%0.801SS**  trans-103.8106.6155.134.90000109.5I508 M512I508-T510 PolarHBondContact O-N 2.84Å; T510-M512 PolarHBondContact O-N 2.87Å
511K26.3Very low28.8Very low191 Ų191157.6 Ų157.683%0.8380%0.803SS**  trans-67.1112.9166.9-68.7174.5177.2176.20107.9
512M29.2Very low28.7Very low193 Ų193156.2 Ų156.295%0.95179%0.794SS**  trans-88.2132.1165.1-123.1176.9-178.700110T510T510-M512 PolarHBondContact O-N 2.87Å
513H29.2Very low28.5Very low161 Ų161157 Ų15775%0.74579%0.787SS**  trans-76143.4-169.7-97.4-103.9000112.5I515H513-I515 PolarHBondContact O-N 3.18Å; H513-I515 VanDerWaalsContact O-N 3.09Å
514K26.6Very low28.5Very low189 Ų189156.5 Ų156.582%0.82279%0.788SS**  trans-62.3104.7161.5-179.2178.7-178.6177.60108.5T516K514-T516 PolarHBondContact O-N 2.96Å
515I29.6Very low28.1Very low152 Ų152156.5 Ų156.578%0.77978%0.783SS**  trans-88.695.6171.6-62.3176.1000107.4H513H513-I515 PolarHBondContact O-N 3.18Å; H513-I515 VanDerWaalsContact O-N 3.09Å
516T27.4Very low28.1Very low108 Ų108158.7 Ų158.766%0.66379%0.788SS**  trans-71.9122.8162.7-35.10000107.2K514K514-T516 PolarHBondContact O-N 2.96Å
517R28.2Very low27.6Very low203 Ų203155.9 Ų155.977%0.76678%0.777SS**  trans-103.489.8-179.4-163.6173.6179.2148.7-1.6109.2E519R517-E519 HydrophobicContact CG-CG 4.22Å; R517-E519 IonicContact CZ-OE1 3.01Å; R517-E519 IonicContact NE-OE1 3.92Å; R517-E519 PolarHBondContact NE-OE1 2.85Å; R517-E519 IonicContact NH2-OE1 2.69Å; R517-E519 PolarHBondContact NH2-OE1 3.09Å
518E25.7Very low27.5Very low175 Ų175155.7 Ų155.782%0.81878%0.78SS**  trans-79.5116.9162.7-70.3177.2155.400107.8
519E30.3Very low27.2Very low144 Ų144153.5 Ų153.567%0.67377%0.774SS**  trans-100.7104.7168.5-73.9-173.3172.700109R517R517-E519 HydrophobicContact CG-CG 4.22Å; R517-E519 IonicContact CZ-OE1 3.01Å; R517-E519 IonicContact NE-OE1 3.92Å; R517-E519 PolarHBondContact NE-OE1 2.85Å; R517-E519 IonicContact NH2-OE1 2.69Å; R517-E519 PolarHBondContact NH2-OE1 3.09Å
520T24.5Very low27.1Very low126 Ų126149.8 Ų149.877%0.77378%0.776SS**  trans-113.4110.6171.2-54.90000108.6
521I30.9Very low26.9Very low162 Ų162148.2 Ų148.283%0.83177%0.766SS**  trans-135.289.2167.7-55.8178.6000105.4
522S27.4Very low26.7Very low90 Ų90145.8 Ų145.863%0.62977%0.767SS**  88.8109.982.5-169.50000113.7
523S26.3Very low26.6Very low97 Ų97141.9 Ų141.968%0.67875%0.75SS**  trans59.4106.4145.162.10000120
524Q27.7Very low26.4Very low204 Ų204140.3 Ų140.395%0.95376%0.757SS**  -143.2151.3102.2-108.7178.210.700110.7
525T25Very low26.4Very low115 Ų115137.5 Ų137.571%0.70675%0.75SS**  trans-116.1128.2-160-45.20000110.4
526E26.9Very low26.2Very low198 Ų198137.4 Ų137.493%0.92575%0.751SS**  trans-136.5113155.6-141.9168.9-145.700110.2
527T23.8Very low26Very low103 Ų103143.5 Ų143.563%0.63276%0.762SS**  trans-98.8109.4-168.9-55.20000109.9
528I25.7Very low25.8Very low167 Ų167141.4 Ų141.486%0.85676%0.764SS**  trans-98.998.3161.4-60.6-176.6000108.6
529T24.3Very low25.8Very low99 Ų99140.6 Ų140.661%0.60776%0.764SS**  trans-68.1136.1-179.2-41.60000111.5T531T529-T531 HydrophobicContact CG2-CG2 4.38Å
530T23.8Very low25.5Very low141 Ų141137.6 Ų137.687%0.86576%0.763SS**  trans-134.1132.8150.1-13.50000109.9
531T25.3Very low25.6Very low94 Ų94140.7 Ų140.758%0.57777%0.766SS**  trans-105.4127.4-143.2-18.70000112.9T529 N533T529-T531 HydrophobicContact CG2-CG2 4.38Å; T531-N533 PolarHBondContact O-N 3.31Å; T531-N533 VanDerWaalsContact O-N 3.16Å
532T23Very low25.4Very low141 Ų141140.5 Ų140.587%0.86577%0.767SS**  trans-67107.516146.70000109.8
533N27.2Very low25.4Very low111 Ų111142 Ų14259%0.59477%0.774SS**  trans-127.485.9175.7-90.7-27000111.7T531 I535T531-N533 PolarHBondContact O-N 3.31Å; T531-N533 VanDerWaalsContact O-N 3.16Å; N533-I535 HydrophobicContact CB-CD1 4.09Å; N533-I535 HydrophobicContact CB-CG1 4.15Å; N533-I535 PolarHBondContact O-N 3.1Å
534S24.3Very low25.2Very low127 Ų127143.3 Ų143.389%0.88878%0.778SS**  trans-74.490.8154.654.80000108.9
535I27.6Very low25.1Very low131 Ų131140.5 Ų140.567%0.67278%0.775SS**  trans-116.6130.8176.4-63.4179.1000109.7N533N533-I535 HydrophobicContact CB-CD1 4.09Å; N533-I535 HydrophobicContact CB-CG1 4.15Å; N533-I535 PolarHBondContact O-N 3.1Å
536N25.2Very low25.1Very low150 Ų150139.5 Ų139.580%0.80277%0.769SS**  trans-74.6142.9-179.6-82-60.7000112.5
537R22.8Very low25Very low235 Ų235137.7 Ų137.789%0.88776%0.764SS**  trans57.3116.3162.8-68.6178.7171170.3-2.9117.1
538I24.6Very low25.2Very low159 Ų159139.1 Ų139.182%0.81577%0.768SS**  -173120106-89.9151.2000110.3
539I25.1Very low25.2Very low159 Ų159137.7 Ų137.782%0.81577%0.767SS**  trans16.3129.4145.3-61.6160.4000120
540A24.2Very low25.4Very low80 Ų80141.5 Ų141.566%0.66178%0.775SS**  trans107.8110.9144.300000121.2
541K27.6Very low25.5Very low192 Ų192140.3 Ų140.384%0.83577%0.767SS**  trans64.8113.1134.8-64.6-179.6177.4-179.30120
542N24.9Very low25.5Very low158 Ų158144.3 Ų144.385%0.84578%0.777SS**  -165.3157.9116.9-88.6-27.6000108.7
543P27.3Very low25.6Very low120 Ų120148.1 Ų148.178%0.77978%0.775SS**  cis-121.7169.2-43.236.6-22.8000112.4
544T23.3Very low25.6Very low125 Ų125147.5 Ų147.577%0.76778%0.779SS**  trans-51.5123.4-177-46.20000116.3
545V25Very low25.7Very low145 Ų145151.8 Ų151.888%0.87978%0.782SS**  trans-135.4125.4132.4-179.10000109.3
546T24.6Very low25.6Very low94 Ų94150.4 Ų150.458%0.57778%0.783SS**  trans-57.2124.5-171.7-400000114.9
547I25.3Very low25.7Very low161 Ų161147.5 Ų147.583%0.82677%0.774SS**  trans-126.5114.3134.2-61.3-175.9000106.7T549I547-T549 PolarHBondContact O-N 3.18Å; I547-T549 VanDerWaalsContact O-N 3.1Å
548D27.9Very low26Very low133 Ų133143.4 Ų143.471%0.71177%0.77SS**  trans-63.4107.6-178.5-91-60.8000111.9K550D548-K550 VanDerWaalsContact C-N 3.27Å; D548-K550 PolarHBondContact O-N 3.09Å; D548-K550 VanDerWaalsContact O-N 3.07Å
549T27.1Very low26.2Very low136 Ų136139.1 Ų139.183%0.83477%0.765SS**  trans-79.376.916053.80000110.2I547I547-T549 PolarHBondContact O-N 3.18Å; I547-T549 VanDerWaalsContact O-N 3.1Å
550K26.5Very low26.5Very low179 Ų179137.4 Ų137.478%0.77876%0.762SS**  trans-134104.8157.9-87-169.9-178.6170.50110D548D548-K550 VanDerWaalsContact C-N 3.27Å; D548-K550 PolarHBondContact O-N 3.09Å; D548-K550 VanDerWaalsContact O-N 3.07Å
551V26Very low26.8Very low116 Ų116139.7 Ų139.770%0.70376%0.763SS**  90.7108.686.6159.90000111.1
552K25.9Very low27Very low178 Ų178136.3 Ų136.377%0.77475%0.754SS**  trans60.5146.6148.4-71.6179.7177.6176.70120
553R25.8Very low27.2Very low222 Ų222134.9 Ų134.984%0.83875%0.746SS**  trans86113149.4-80166.2176.9169.4-3.9118.3
554S26.9Very low27.4Very low97 Ų97133.9 Ų133.968%0.67874%0.738SS**  trans57.4105.6135.761.30000118.4
555K25.5Very low27.9Very low217 Ų217134.9 Ų134.994%0.94373%0.734SS**  -108.695.7109.8-71.5-169.3175.2-174.30108.7
556C25.8Very low28.1Very low102 Ų102134.7 Ų134.769%0.68972%0.723SS**  trans-92.2130.9158.3179.60000105.7
557S27.5Very low28.5Very low89 Ų89137 Ų13762%0.62273%0.725SS**  trans56.9168.8164.582.30000115.8
558D29.3Very low29.1Very low149 Ų149136.4 Ų136.480%0.79772%0.719SS**  cis-134.9140.20.5-95-64.5000109.9
559G29.5Very low29.5Very low70 Ų70135.9 Ų135.972%0.72272%0.716SS**  trans54.5-170.7141.100000120.1
560V30.3Very low29.9Very low123 Ų123137.4 Ų137.475%0.74571%0.711SS**  cis-158.8139.6-16.9112.20000106.3
561N31.2Very low30.3Very low127 Ų127134.1 Ų134.168%0.67971%0.706SS**  trans64.6162.3160.8-72.333.7000116.1
562D32.5Very low30.9Very low121 Ų121134.9 Ų134.965%0.64771%0.706SS**  cis-162.6167.4-4.7-108.7-15.8000105.7
563L29.1Very low31.4Very low129 Ų129132.1 Ų132.168%0.67570%0.7SS**  cis-171152.9-17.1-173.167.7000107.1
564T30.1Very low31.9Very low99 Ų99128.5 Ų128.561%0.60770%0.696SS**  trans70.7145.1148.436.60000124.8
565Q33.6Very low32.2Very low146 Ų146128.5 Ų128.568%0.68270%0.696SS**  trans92.4105.2140.9-79.6167.9101.400117.4
566Q30.9Very low32.8Very low140 Ų140122 Ų12265%0.65468%0.678SS**  76.7138.683.1-77.5-168.744.100111
567K31.9Very low33.3Very low142 Ų142125.9 Ų125.962%0.61769%0.686SS**  cis-169.11569.5-126.2178-177.5147.50108.7
568Q37.2Very low33.5Very low149 Ų149126 Ų12670%0.69669%0.687SS**  trans66.6152.4146.2-71.4172.9-1000118.4
569N36.7Very low33.6Very low123 Ų123123.9 Ų123.966%0.65868%0.684SS**  cis-160.6151.6-0.9-120.5-20.1000113.9
570K36.6Very low33.6Very low167 Ų167126.5 Ų126.573%0.72669%0.686SS**  trans75.4111.3140.5-89.1-172171.7-178.40124.7
571T34.7Very low33.7Very low110 Ų110127.8 Ų127.868%0.67569%0.687SS**  61.8145.6125.5530000120
572N37.4Very low33.9Very low132 Ų132126.6 Ų126.671%0.70669%0.686SS**  cis-168.5163.912.9-110.2-7.7000106.6
573N36.3Very low33.7Very low121 Ų121127.9 Ų127.965%0.64769%0.692SS**  cis-169.9153.7-19.7-141.7-0.8000107.7
574I37Very low33.7Very low145 Ų145130 Ų13074%0.74470%0.698SS**  trans65141.9154.3-59.7159.8000117.6
575S33.9Very low33.4Very low97 Ų97130.5 Ų130.568%0.67871%0.705SS**  cis-169.8174.8-28.974.10000105.8
576S37.3Very low33.2Very low82 Ų82133.2 Ų133.257%0.57372%0.717SS**  cis-167.3147.64.216.10000109
577Q35.5Very low33.2Very low182 Ų182130 Ų13085%0.8572%0.721SS**  trans66.3145.2148.6-66.4165.40.500118.4
578S33Very low33.3Very low91 Ų91130.2 Ų130.264%0.63673%0.729SS**  cis-172.4119.3-14.742.70000105.9
579S31.3Very low33.1Very low105 Ų105129 Ų12973%0.73472%0.724SS**  62.1139.473.474.90000115.1
580T29.6Very low33Very low126 Ų126131.7 Ų131.777%0.77373%0.725SS**  cis-172.4178.6-16.1-66.40000106.1
581I33Very low32.9Very low149 Ų149131.2 Ų131.276%0.76473%0.725SS**  trans97.6125.1150.6-50.2179.4000118.1
582P33.8Very low32.7Very low103 Ų103134.1 Ų134.167%0.66973%0.728SS**  trans-107.8-177.3164.840.1-31.3000113.8
583I27.9Very low32.5Very low148 Ų148134.6 Ų134.676%0.75973%0.729SS**  trans99141.8160.8-60.5161.1000118.1
584Q29.1Very low32.1Very low173 Ų173139.5 Ų139.581%0.80874%0.739SS**  trans96.7101.3156.9-96.1163.518.800122.3
585C25.6Very low31.6Very low110 Ų110138 Ų13874%0.74374%0.74SS**  63137116.2-66.20000125.1
586E28.3Very low31.2Very low202 Ų202138.5 Ų138.594%0.94474%0.743SS**  trans68.2132147.4-69.8-176136.500120.8
587G31.5Very low30.7Very low72 Ų72139.8 Ų139.874%0.74275%0.752SS**  trans174.547.9-17400000116.9
588N32.9Very low30.4Very low147 Ų147137.8 Ų137.879%0.78675%0.753SS**  trans62.4123.1147.3-83.7-5.4000123.8
589E34.2Very low30.2Very low125 Ų125139 Ų13958%0.58476%0.761SS**  97.8109.5120.7-73.3-161.4148.500123.8
590R34.1Very low30.3Very low178 Ų178139.3 Ų139.367%0.67276%0.76SS**  93.3114.7122-75.2177.2-169.6-160.815.3120.5
591Q34.5Very low30.2Very low157 Ų157137.8 Ų137.873%0.73476%0.755SS**  trans75.4145.7130.2-68.2-176.52300118.3
592K30.5Very low30.1Very low172 Ų172140.1 Ų140.175%0.74876%0.76SS**  cis-171.2168.2-24.2-143.1178.8-176.8177.30106.8
593I32.7Very low30.1Very low142 Ų142145 Ų14573%0.72877%0.77SS**  trans80.593.8154.1-60.1155.9000118.5
594R28.8Very low30.2Very low224 Ų224143.8 Ų143.885%0.84577%0.772SS**  74107.5106.6-157.4-179.1-121.9176-1.9121.6
595C25.5Very low30.3Very low114 Ų114143.4 Ų143.477%0.7777%0.774SS**  trans70.4157.9136.9-62.30000122.7
596S26.9Very low30.5Very low106 Ų106149.7 Ų149.774%0.74178%0.782SS**  trans93.894.8157.8-49.10000117.9
597S25.3Very low30.5Very low109 Ų109147.4 Ų147.476%0.76278%0.775SS**  trans22.2106.8134.457.40000119.3
598T30.8Very low30.4Very low141 Ų141151.2 Ų151.287%0.86578%0.777SS**  -172.9134.9128.114.20000111.2
599S27.4Very low30.2Very low115 Ų115148.6 Ų148.680%0.80477%0.768SS**  trans-60.6144.1159.7-47.30000108.8
600P33.7Very low30Very low112 Ų112151 Ų15173%0.72778%0.782SS**  -157.8159.380.340-20000119.1
601S27.3Very low29.9Very low95 Ų95147 Ų14766%0.66478%0.782SS**  trans72.7123.8138.273.50000123.3
602K31.9Very low29.4Very low197 Ų197151 Ų15186%0.85779%0.79SS**  trans65100.2133.8-65.9173.8-179.4175.40119.5
603K32.7Very low29.5Very low205 Ų205149.7 Ų149.789%0.89180%0.797SS**  -150.2129.6120.2-105.3160.4-171.9175.50109.7
604P30.9Very low29.5Very low123 Ų123152 Ų15280%0.79980%0.802SS**PPolyproline II helixtrans-87.7143.7-169.133.7-34.9000113.2
605I31.3Very low29.5Very low166 Ų166146.7 Ų146.785%0.85180%0.799SS**PPolyproline II helixtrans-82.6138.3167.8-64.9176.1000108.8I607I605-I607 PolarHBondContact O-N 3.39Å
606R29.1Very low29.8Very low242 Ų242147.6 Ų147.691%0.91380%0.801SS**PPolyproline II helixtrans-61120.4-169-72.4173.2169.2164.8-5.6113
607I28.7Very low30Very low154 Ų154150.1 Ų150.179%0.7980%0.801SS**PPolyproline II helixtrans-79.6135.3153.9-60.4171.7000107I605 P609I605-I607 PolarHBondContact O-N 3.39Å; I607-P609 WeakPolarHBondContact O-CD 3.27Å
608I29.9Very low30.4Very low152 Ų152150.6 Ų150.678%0.77980%0.801SS**  trans-85.4113.7170.4-61.9173000107.7
609P27.3Very low30.4Very low92 Ų92152.6 Ų152.660%0.59780%0.798SS**  trans-90.3118.917432.9-25.3000109.4I607 S611I607-P609 WeakPolarHBondContact O-CD 3.27Å; P609-S611 PolarHBondContact O-N 2.83Å; P609-S611 VanDerWaalsContact O-N 3.1Å; P609-S611 PolarHBondContact O-OG 2.83Å
610I30.9Very low30.7Very low174 Ų174155.1 Ų155.189%0.89280%0.801SS**  trans-68.5109.7164-63.1178000106.6
611S30.9Very low30.7Very low94 Ų94158.3 Ų158.366%0.65780%0.804SS**  trans-80.1127-162-65.90000112.8P609 T613P609-S611 PolarHBondContact O-N 2.83Å; P609-S611 VanDerWaalsContact O-N 3.1Å; P609-S611 PolarHBondContact O-OG 2.83Å; S611-T613 PolarHBondContact O-N 2.78Å; S611-T613 VanDerWaalsContact O-N 3.17Å
612R25.9Very low30.8Very low243 Ų243161.8 Ų161.892%0.91781%0.809SS**  trans-59.4113.2160-72.6176.1170.9170.3-4.9109.1K614R612-K614 PolarHBondContact O-N 2.88Å; R612-K614 VanDerWaalsContact O-N 3.1Å
613T32.4Very low30.9Very low144 Ų144157.5 Ų157.588%0.88380%0.804SS**  trans-70.7101.416835.50000109.5S611S611-T613 PolarHBondContact O-N 2.78Å; S611-T613 VanDerWaalsContact O-N 3.17Å
614K32.2Very low30.9Very low191 Ų191154 Ų15483%0.8380%0.8SS**  trans-71.7146.5169-79-176.2172.7-1770110.3R612 V616R612-K614 PolarHBondContact O-N 2.88Å; R612-K614 VanDerWaalsContact O-N 3.1Å; K614-V616 PolarHBondContact O-N 2.93Å
615S28.3Very low30.8Very low111 Ų111155 Ų15578%0.77680%0.799SS**  trans-43.1130.8164.8177.40000112.3
616V33Very low30.8Very low134 Ų134152 Ų15281%0.81279%0.787SS**  trans-123.9112158.8177.10000106.6K614 P618K614-V616 PolarHBondContact O-N 2.93Å; V616-P618 WeakPolarHBondContact O-CD 3.14Å
617E30.2Very low31Very low159 Ų159147.2 Ų147.274%0.74378%0.78SS**  trans-96.5111.5179.8-180-177.2-124.200109.1K619E617-K619 PolarHBondContact O-N 2.84Å
618P34.7Very low31.3Very low118 Ų118149.4 Ų149.477%0.76678%0.784SS**  trans-84.4106.7171.931.7-29.6000109.7V616 L620V616-P618 WeakPolarHBondContact O-CD 3.14Å; P618-L620 PolarHBondContact O-N 3.14Å
619K29.6Very low31.4Very low184 Ų184147.3 Ų147.380%0.878%0.78SS**  trans-62126.2164.1-66.5175.9178.2177.10109.3E617E617-K619 PolarHBondContact O-N 2.84Å
620L34.3Very low31.6Very low168 Ų168148.6 Ų148.688%0.8879%0.786SS**  trans-169.1111.8140.3-104.2158000112.5P618P618-L620 PolarHBondContact O-N 3.14Å
621K33.7Very low31.4Very low179 Ų179147.6 Ų147.678%0.77878%0.783SS**  trans6.9115.1156.4-68-175174.5-170.70120.2
622E29Very low31.4Very low167 Ų167146.4 Ų146.478%0.7879%0.786SS**  54.6102.4106-169173.9-137.900118.9
623S33.2Very low31.5Very low108 Ų108145.6 Ų145.676%0.75578%0.784SS**  176.9127.710739.60000114.4
624V33.1Very low31.3Very low131 Ų131147 Ų14779%0.79478%0.784SS**  5996.7128.4-171.50000120.3
625D29.8Very low31Very low145 Ų145146.2 Ų146.278%0.77578%0.781SS**  59125.2122.3-96.97.9000124.8
626V31.3Very low30.8Very low101 Ų101146.8 Ų146.861%0.61278%0.78SS**  71.893124.61760000119.2
627N33.5Very low30.4Very low143 Ų143147.2 Ų147.277%0.76578%0.776SS**  171.3113.1105-95.3-45.9000115.4
628K33.5Very low30.1Very low199 Ų199147.1 Ų147.187%0.86578%0.781SS**  trans55.1161.4141.1-85.9-166173.3179.10121.6
629P33.5Very low29.7Very low108 Ų108149.4 Ų149.470%0.70179%0.785SS**  trans-109.4172.9-148.242.2-37.1000114.2
630T29.6Very low29.4Very low119 Ų119144.9 Ų144.973%0.7378%0.776SS**  -176.1140.9124.3-72.30000110.1
631D28.3Very low29Very low154 Ų154143.1 Ų143.182%0.82477%0.773SS**  trans42.1124.3161.9-58.4-17.4000123.1
632G30.4Very low28.7Very low69 Ų69140.4 Ų140.471%0.71177%0.771SS**  trans-168.486.4170.200000112.2
633Y26.9Very low28.6Very low225 Ų225140 Ų14088%0.88277%0.767SS**  trans4.7130.9160.4-61.6-95.3000118.1
634I28.7Very low28.4Very low173 Ų173141.3 Ų141.389%0.88777%0.773SS**  -155.1147.793.1-90.2150.8000113.2
635K26.6Very low28.3Very low176 Ų176141.2 Ų141.277%0.76576%0.762SS**  trans-42.7137.6177.6-75.2172.3174.31760116.7
636T23.6Very low28.3Very low122 Ų122141 Ų14175%0.74876%0.756SS**  69.9125.589.7-38.10000112.1
637I25.1Very low28.2Very low144 Ų144142.2 Ų142.274%0.73876%0.759SS**  -143.7134.765.6-70.7158.7000112.4I639I637-I639 HydrophobicContact CG2-CG1 4.04Å
638N22.9Very low28Very low156 Ų156141.4 Ų141.483%0.83475%0.754SS**  trans-86.3139.9157.9-77.8-28.4000109.1
639I26.9Very low27.9Very low167 Ų167139.4 Ų139.486%0.85675%0.748SS**  trans-110.1113.7161.5-58.1-178.3000108.2I637I637-I639 HydrophobicContact CG2-CG1 4.04Å
640S24Very low27.6Very low89 Ų89140 Ų14062%0.62275%0.75SS**  trans-106.2134-177.451.60000111.5
641T26.2Very low27.7Very low130 Ų130139.4 Ų139.480%0.79875%0.751SS**  trans43.6119.5141.660.10000120.6
642T27.4Very low28Very low123 Ų123137.8 Ų137.876%0.75575%0.746SS**  trans-146.2133.7141.149.80000108.8
643K26Very low28Very low159 Ų159140.9 Ų140.969%0.69175%0.751SS**  cis-152155.3-12.9-93.2164.2-177.2161.60105.2K645K643-K645 HydrophobicContact CD-CD 4.23Å; K643-K645 HydrophobicContact CD-CG 4.45Å
644P28.2Very low28.4Very low135 Ų135135.7 Ų135.788%0.87775%0.745SS**  -128.2110.1107.433.8-27.8000112.6
645K31.3Very low28.4Very low129 Ų129139.1 Ų139.156%0.56175%0.747SS**  trans-65153.5139.8-79.6174.8151.6-88.80106.9K643K643-K645 HydrophobicContact CD-CD 4.23Å; K643-K645 HydrophobicContact CD-CG 4.45Å
646E30.5Very low28.7Very low139 Ų139135 Ų13565%0.6574%0.74SS**  cis-172.1163.10.5-113.5158.3178.900106.4
647L29.5Very low28.9Very low128 Ų128136.6 Ų136.667%0.6774%0.744SS**  cis-163144.24.6-179.572.7000108.4
648N29.4Very low29.1Very low125 Ų125135.4 Ų135.467%0.66875%0.749SS**  trans66.4159.2165.5-65.5-18.9000117
649Q31.4Very low29.3Very low157 Ų157134.4 Ų134.473%0.73475%0.748SS**  cis-155.7131.416.2-135.815346.200111.8
650T27.6Very low29.3Very low122 Ų122132.4 Ų132.475%0.74875%0.749SS**  trans30.9149.8142.655.30000124.9
651S31.9Very low29.2Very low106 Ų106139.1 Ų139.174%0.74176%0.761SS**  trans88.8142.4153.585.20000118.1
652T33.7Very low29.2Very low119 Ų119141.3 Ų141.373%0.7377%0.766SS**  cis-165.2131.7-36.920.50000111.3
653T31.4Very low29Very low134 Ų134140.1 Ų140.182%0.82276%0.759SS**  trans68.3158.7147.150.10000122.2
654P35.1Very low28.9Very low116 Ų116139.5 Ų139.575%0.75377%0.768SS**  trans-134.1175.4-148.244.8-29.1000117.2
655R28.8Very low28.8Very low246 Ų246143.6 Ų143.693%0.92877%0.766SS**  trans176.1153.8151.4-102.4167.4143.6137.5-8.1107.7
656S31.1Very low28.4Very low88 Ų88146.7 Ų146.762%0.61578%0.779SS**  cis-1681501.642.30000111.6
657N29Very low28.3Very low156 Ų156145.6 Ų145.683%0.83479%0.785SS**  trans51.7115.9149.4-50-10.3000118.7
658S30Very low28.2Very low119 Ų119147.5 Ų147.583%0.83280%0.795SS**  -162.1154.273.762.40000115.5
659T27Very low27.9Very low135 Ų135153.3 Ų153.383%0.82881%0.808SS**  trans-55.6130.4178.735.70000118.5
660S25.4Very low27.9Very low125 Ų125151.8 Ų151.887%0.87482%0.815SS**  -152.9129.7126.535.60000111
661R23.5Very low27.8Very low231 Ų231149.6 Ų149.687%0.87281%0.809SS**  trans-98.2131.4175.7-71.2174173.5160.3-4108.9
662I24.9Very low27.7Very low175 Ų175152.5 Ų152.590%0.89781%0.814SS**  trans-124.3131.7147.8-64-175000108.4
663T24.3Very low27.5Very low99 Ų99151.2 Ų151.261%0.60782%0.816SS**  trans-101.6126.3-163.4-47.10000110.1R665T663-R665 HydrophobicContact CG2-CG 4.47Å; T663-R665 PolarHBondContact O-N 3.03Å; T663-R665 VanDerWaalsContact O-N 3.1Å
664V23.8Very low27.2Very low145 Ų145150.3 Ų150.388%0.87982%0.815SS**  trans-68.6105.7168.3-178.90000108.7
665R25.2Very low27Very low221 Ų221150.2 Ų150.283%0.83482%0.815SS**  trans-102.2110.6175-88.3-174.7170.8160-2.6111.7T663T663-R665 HydrophobicContact CG2-CG 4.47Å; T663-R665 PolarHBondContact O-N 3.03Å; T663-R665 VanDerWaalsContact O-N 3.1Å
666K23.3Very low27Very low195 Ų195143.1 Ų143.185%0.84880%0.803SS**  trans-69.4130.6151.7-81.8177.2173172.90109.2
667C27.8Very low26.8Very low115 Ų115150.7 Ų150.778%0.77782%0.818SS**  trans-152102.7149.9-86.80000105.8
668L28.2Very low26.9Very low168 Ų168148.7 Ų148.788%0.8882%0.816SS**  58122.281.4-77.3168.4000114.1
669R23.6Very low27.1Very low247 Ų247148.1 Ų148.193%0.93281%0.812SS**  trans-56.1141.5169-62172.8173.9-177.6-3.4110.9
670S30Very low27.2Very low125 Ų125152.4 Ų152.487%0.87481%0.813SS**  -168.1161.1122.1-162.50000109.9
671A26.8Very low27.5Very low76 Ų76152 Ų15263%0.62881%0.811SS**  trans-105.6-177.5-175.500000112.5
672I28.6Very low27.7Very low167 Ų167147.7 Ų147.786%0.85681%0.805SS**  trans79.4106160.4-53.9153.1000116
673A28.8Very low28.1Very low93 Ų93146.1 Ų146.177%0.76980%0.803SS**  159.9114.6115.400000112.2
674S26.9Very low28.2Very low115 Ų115150.8 Ų150.880%0.80482%0.815SS**  trans-73164.1151.8-45.40000108.9
675P30.1Very low28.5Very low114 Ų114154 Ų15474%0.7482%0.817SS**  -155.3162.489.940.8-22.2000118.6
676S29.5Very low28.8Very low97 Ų97148.8 Ų148.868%0.67882%0.815SS**  trans64.7110.3136.661.80000123.9
677R26.8Very low28.8Very low247 Ų247143.3 Ų143.393%0.93280%0.802SS**  50124.7119.8-70.1178163.7-180-4.9120.6
678S31Very low29Very low114 Ų114143.9 Ų143.980%0.79780%0.804SS**  -157.9163.3108.7620000113.7
679S33.3Very low29Very low107 Ų107145.4 Ų145.475%0.74880%0.799SS**  trans-13.2138174.639.60000120.8
680R29.1Very low29.1Very low225 Ų225140.7 Ų140.785%0.84979%0.793SS**  cis97.2101.634.6-173.3-167.6-160.8-170.77.3113.8
681S31.8Very low29Very low117 Ų117144.4 Ų144.482%0.81879%0.793SS**  trans-147128.9153.754.80000109.9
682N28.4Very low28.9Very low140 Ų140149.4 Ų149.475%0.74980%0.8SS**  trans-98.6127.8-173.1-69.3-23.1000111.8
683T32Very low28.7Very low142 Ų142148.6 Ų148.687%0.87180%0.796SS**  trans-141.7119.2152.539.40000109.4
684K27.1Very low28.5Very low197 Ų197151 Ų15186%0.85779%0.792SS**  trans-76.7128.5-179.8-60.7172.8178.4177.90109.9
685F29.9Very low28.5Very low211 Ų211152.8 Ų152.893%0.92579%0.785SS**  trans-143.4163.9149.2-91.7-72.2000110.1
686S30.8Very low28.2Very low112 Ų112154.9 Ų154.978%0.78379%0.788SS**  trans-68.2153.4-152.139.20000116.3
687S25.2Very low27.9Very low81 Ų81159.2 Ų159.257%0.56679%0.791SS**  trans-73.6136.1179.651.80000113.5Y689S687-Y689 PolarHBondContact O-N 2.92Å
688P31.4Very low27.8Very low127 Ų127151.6 Ų151.683%0.82578%0.781SS**  trans-77.6114.7154.631.3-28.8000109
689Y27.5Very low27.6Very low200 Ų200151.9 Ų151.978%0.78478%0.783SS**  trans-70.1157176.5-101-104.7000112.1S687S687-Y689 PolarHBondContact O-N 2.92Å
690N26Very low27.3Very low148 Ų148151.2 Ų151.279%0.79178%0.775SS**  trans62.955.3163.8-64-7.6000119.1K692N690-K692 PolarHBondContact O-N 2.85Å
691K28Very low27.2Very low203 Ų203146.8 Ų146.888%0.88378%0.775SS**  trans-79.892.3145.2-82-173.61761790110.4I693K691-I693 PolarHBondContact O-N 3.47Å; K691-I693 VanDerWaalsContact O-N 3.13Å
692K24.4Very low27.1Very low180 Ų180149.4 Ų149.478%0.78377%0.772SS**  trans-67.1106168.5-160.4179.4-172.4-176.20108.1N690 E694N690-K692 PolarHBondContact O-N 2.85Å; K692-E694 VanDerWaalsContact C-N 3.33Å; K692-E694 PolarHBondContact O-N 3.4Å
693I25Very low27.1Very low150 Ų150147.3 Ų147.377%0.76977%0.768SS**  trans-76.987.8176.3-57.4175.8000107.9K691 K695K691-I693 PolarHBondContact O-N 3.47Å; K691-I693 VanDerWaalsContact O-N 3.13Å; I693-K695 PolarHBondContact O-N 2.95Å; I693-K695 VanDerWaalsContact O-N 3.14Å
694E25Very low26.9Very low145 Ų145149.7 Ų149.768%0.67877%0.766SS**  trans-69.5108.2167.2-73.7-163.4151.900109.7K692 I696K692-E694 VanDerWaalsContact C-N 3.33Å; K692-E694 PolarHBondContact O-N 3.4Å; E694-I696 VanDerWaalsContact C-N 3.33Å; E694-I696 PolarHBondContact O-N 3.01Å
695K25.7Very low27.1Very low151 Ų151148.4 Ų148.466%0.65777%0.768SS**  trans-69.893.2165.8-72.9179.8177.8175.60108.2I693 Y697I693-K695 PolarHBondContact O-N 2.95Å; I693-K695 VanDerWaalsContact O-N 3.14Å; K695-Y697 VanDerWaalsContact C-N 3.33Å; K695-Y697 HydrophobicContact CB-CD2 4.45Å; K695-Y697 HydrophobicContact CB-CE2 4.07Å; K695-Y697 VanDerWaalsContact O-CD2 3.26Å; K695-Y697 WeakPolarHBondContact O-CD2 3.13Å; K695-Y697 PolarHBondContact O-N 2.88Å
696I25.2Very low26.9Very low158 Ų158146.2 Ų146.281%0.8176%0.761SS**  trans-64.699164.6-57.2176.9000107E694 A698E694-I696 VanDerWaalsContact C-N 3.33Å; E694-I696 PolarHBondContact O-N 3.01Å; I696-A698 PolarHBondContact O-N 3.41Å
697Y22.7Very low26.7Very low188 Ų188148.5 Ų148.574%0.73776%0.764SS**PPolyproline II helixtrans-68.2121.3171-71.4-86.8000108.3K695 S699K695-Y697 VanDerWaalsContact C-N 3.33Å; K695-Y697 HydrophobicContact CB-CD2 4.45Å; K695-Y697 HydrophobicContact CB-CE2 4.07Å; K695-Y697 VanDerWaalsContact O-CD2 3.26Å; K695-Y697 WeakPolarHBondContact O-CD2 3.13Å; K695-Y697 PolarHBondContact O-N 2.88Å; Y697-S699 PolarHBondContact O-N 3.45Å
698A24.8Very low26.7Very low87 Ų87152.6 Ų152.672%0.71978%0.777SS**PPolyproline II helixtrans-57.2122.816200000108.1I696 T700I696-A698 PolarHBondContact O-N 3.41Å; A698-T700 PolarHBondContact O-N 3.45Å; A698-T700 VanDerWaalsContact O-N 3.08Å
699S26.9Very low26.5Very low121 Ų121154.6 Ų154.685%0.84678%0.779SS**PPolyproline II helixtrans-59.9116.2174.640.90000108.8Y697Y697-S699 PolarHBondContact O-N 3.45Å
700T26.2Very low26.4Very low92 Ų92149.4 Ų149.456%0.56477%0.772SS**PPolyproline II helixtrans-67.9129.4-164.3430000113.1A698 F702A698-T700 PolarHBondContact O-N 3.45Å; A698-T700 VanDerWaalsContact O-N 3.08Å; T700-F702 VanDerWaalsContact CB-CE2 3.45Å; T700-F702 HydrophobicContact CG2-CE2 3.9Å; T700-F702 PolarHBondContact O-N 2.88Å; T700-F702 VanDerWaalsContact O-N 3.09Å; T700-F702 VanDerWaalsContact OG1-CD2 3.27Å; T700-F702 WeakPolarHBondContact OG1-CD2 3.49Å; T700-F702 WeakPolarHBondContact OG1-CE2 3.21Å
701P27.7Very low26.4Very low132 Ų132147.8 Ų147.886%0.85776%0.764SS**  trans-80.685.9169.632.8-33000110.7
702F29.5Very low26.3Very low172 Ų172143 Ų14375%0.75476%0.756SS**  trans-92.6140.8163.3-68.7-80.9000109.6T700T700-F702 VanDerWaalsContact CB-CE2 3.45Å; T700-F702 HydrophobicContact CG2-CE2 3.9Å; T700-F702 PolarHBondContact O-N 2.88Å; T700-F702 VanDerWaalsContact O-N 3.09Å; T700-F702 VanDerWaalsContact OG1-CD2 3.27Å; T700-F702 WeakPolarHBondContact OG1-CD2 3.49Å; T700-F702 WeakPolarHBondContact OG1-CE2 3.21Å
703S29Very low26.6Very low96 Ų96138.5 Ų138.567%0.67175%0.747SS**  cis-169.4138.8-15.850.30000109.2
704K26.3Very low26.9Very low192 Ų192136.5 Ų136.584%0.83574%0.742SS**  trans47.487.7169-70.3-176.1175.7179.60117.4
705L31.1Very low27.1Very low171 Ų171136.5 Ų136.590%0.89574%0.742SS**  trans-113.897.9147.2-83166.4000108.8
706Q26.9Very low27.3Very low164 Ų164135.5 Ų135.577%0.76674%0.741SS**  trans-77.8138.6165-74.5172-76.600108.4
707N25.8Very low27.5Very low161 Ų161135.4 Ų135.486%0.86174%0.741SS**SBendtrans75.746.3168-49.5-13.4000118.3
708M25.8Very low27.6Very low167 Ų167131 Ų13182%0.82374%0.737SS**  trans-128.9137.4151-71.8-157.574.400111.7
709L26.3Very low28Very low168 Ų168131.2 Ų131.288%0.8873%0.732SS**  trans-62.9141.2172.7-74.2154.6000109.3D711L709-D711 PolarHBondContact O-N 3.02Å
710S25.2Very low28.3Very low91 Ų91130.7 Ų130.764%0.63672%0.718SS**  trans-72.797.6-172.551.40000112.3
711D26Very low28.8Very low115 Ų115129.7 Ų129.762%0.61572%0.72SS**  trans-67.9138.7165.3-89.9-30.2000111.1L709 S713 T714L709-D711 PolarHBondContact O-N 3.02Å; D711-S713 PolarHBondContact O-N 3.45Å; D711-T714 PolarHBondContact O-N 2.85Å; D711-T714 PolarHBondContact O-OG1 3.02Å; D711-T714 VanDerWaalsContact O-OG1 3.1Å
712S27.1Very low29.1Very low102 Ų102127.3 Ų127.371%0.71370%0.703SS**THydrogen-bonded Turntrans-59.7-16.6-174.949.30000114.8
713S29.5Very low29.4Very low86 Ų86120.8 Ų120.860%0.60168%0.684SS**THydrogen-bonded Turntrans-71.9-24.5178.4560000114.5D711D711-S713 PolarHBondContact O-N 3.45Å
714T32.1Very low29.5Very low108 Ų108120 Ų12066%0.66368%0.675SS**SBendtrans-97.7-3.4-172.548.30000115.1D711D711-T714 PolarHBondContact O-N 2.85Å; D711-T714 PolarHBondContact O-OG1 3.02Å; D711-T714 VanDerWaalsContact O-OG1 3.1Å
715Q29Very low30Very low145 Ų145116.1 Ų116.168%0.67866%0.658SS**SBendtrans-100.4-5173.4-70.1-174.7-2.900114I717Q715-I717 VanDerWaalsContact C-N 3.27Å; Q715-I717 PolarHBondContact O-N 3.03Å
716M29.6Very low30.5Very low130 Ų130111 Ų11164%0.6463%0.634SS**  trans-81.77.3-173.7-72-173.76800115.4S718M716-S718 PolarHBondContact O-N 2.96Å
717I29.6Very low30.9Very low155 Ų155111.4 Ų111.480%0.79564%0.642SS**  trans-94.975.3174.2-50.4178.6000108.7Q715Q715-I717 VanDerWaalsContact C-N 3.27Å; Q715-I717 PolarHBondContact O-N 3.03Å
718S26.4Very low31.4Very low95 Ų95111.5 Ų111.566%0.66464%0.643SS**  trans-119.6142.5166.5-65.60000108M716M716-S718 PolarHBondContact O-N 2.96Å
719P32.1Very low31.8Very low93 Ų93104.7 Ų104.760%0.60462%0.615SS**  trans-70.3142.1-149.426.2-35.4000113.4L735P719-L735 HydrophobicContact CG-CD1 3.96Å
720L33.5Very low32.1Very low109 Ų109100.6 Ų100.657%0.57160%0.597SS**  trans-49.1153.6160.1-70.579000109.2T722L720-T722 PolarHBondContact O-N 3.11Å
721A35.6Very low32.4Very low72 Ų7299 Ų9960%0.59558%0.584SS**  trans-55105.6163.100000108.6G723A721-G723 VanDerWaalsContact C-N 3.34Å; A721-G723 PolarHBondContact O-N 2.93Å
722T35.2Very low32.7Very low82 Ų8297.3 Ų97.350%0.50358%0.58SS.*EExtended strand (participates in β ladder)trans-74.493.1-179.144.70000107.9L720 Y733L720-T722 PolarHBondContact O-N 3.11Å; T722-Y733 WeakPolarHBondContact O-CD2 3.21Å; T722-Y733 PolarHBondContact O-N 3.22Å; T722-Y733 VanDerWaalsContact O-N 3.14Å
723G34.7Very low32.9Very low35 Ų3599.5 Ų99.536%0.36157%0.573SS.*EExtended strand (participates in β ladder)trans-89.3119.1170.300000110.4A721 T731A721-G723 VanDerWaalsContact C-N 3.34Å; A721-G723 PolarHBondContact O-N 2.93Å; G723-T731 VanDerWaalsContact CA-O 3.32Å; G723-T731 WeakPolarHBondContact CA-O 3.41Å
724V32Very low32.9Very low80 Ų8097.8 Ų97.849%0.48556%0.564SS.*EExtended strand (participates in β ladder)trans-92.6125.2166.5-176.40000107.9T726 T731V724-T726 HydrophobicContact CG1-CG2 4.08Å; V724-T731 PolarHBondContact N-O 3.25Å; V724-T731 PolarHBondContact O-N 2.94Å
725F37.1Very low32.7Very low109 Ų109100.6 Ų100.648%0.47857%0.574SS.*EExtended strand (participates in β ladder)trans-81.5113.8166.5-78.6-100.8000107.6V730F725-V730 HydrophobicContact CD1-CG2 3.83Å; F725-V730 HydrophobicContact CE1-CG2 3.61Å; F725-V730 HydrophobicContact CE2-CG1 4.48Å; F725-V730 HydrophobicContact CZ-CG1 4.46Å; F725-V730 HydrophobicContact CZ-CG2 4.14Å
726T42Very low32.7Very low63 Ų6397.5 Ų97.539%0.38757%0.565SS.*EExtended strand (participates in β ladder)trans-109.1160.2170.341.90000109.2V724 D728 G729V724-T726 HydrophobicContact CG1-CG2 4.08Å; T726-D728 PolarHBondContact O-N 3.32Å; T726-D728 VanDerWaalsContact O-N 3.14Å; T726-G729 PolarHBondContact N-O 3.42Å; T726-G729 PolarHBondContact O-N 3.34Å; T726-G729 PolarHBondContact OG1-O 2.89Å
727N35Very low32.4Very low174 Ų17495.7 Ų95.793%0.9358%0.581SS**THydrogen-bonded Turntrans-58.3-26.8174.9-67-7.2000112.1G729N727-G729 VanDerWaalsContact C-N 3.32Å; N727-G729 PolarHBondContact O-N 2.94Å
728D35.2Very low32.1Very low163 Ų16393.3 Ų93.387%0.87257%0.569SS**THydrogen-bonded Turntrans-84.82178.8-49.2-37.6000113.8T726T726-D728 PolarHBondContact O-N 3.32Å; T726-D728 VanDerWaalsContact O-N 3.14Å
729G34.5Very low32.1Very low24 Ų2497.9 Ų97.925%0.24758%0.579CS.*EExtended strand (participates in β ladder)trans127.7-168.4177.800000115T726 N727T726-G729 PolarHBondContact N-O 3.42Å; T726-G729 PolarHBondContact O-N 3.34Å; T726-G729 PolarHBondContact OG1-O 2.89Å; N727-G729 VanDerWaalsContact C-N 3.32Å; N727-G729 PolarHBondContact O-N 2.94Å
730V33.4Very low31.8Very low81 Ų81101.5 Ų101.549%0.49158%0.582SS.*EExtended strand (participates in β ladder)trans-99111.7-176.7-170.40000110.5F725 C732F725-V730 HydrophobicContact CD1-CG2 3.83Å; F725-V730 HydrophobicContact CE1-CG2 3.61Å; F725-V730 HydrophobicContact CE2-CG1 4.48Å; F725-V730 HydrophobicContact CZ-CG1 4.46Å; F725-V730 HydrophobicContact CZ-CG2 4.14Å; V730-C732 PolarHBondContact O-N 3.33Å
731T31.6Very low31.4Very low59 Ų59107.4 Ų107.436%0.36260%0.597SS.*EExtended strand (participates in β ladder)trans-93.996.5175.6-57.20000110.2G723 V724 Y733G723-T731 VanDerWaalsContact CA-O 3.32Å; G723-T731 WeakPolarHBondContact CA-O 3.41Å; V724-T731 PolarHBondContact N-O 3.25Å; V724-T731 PolarHBondContact O-N 2.94Å; T731-Y733 HydrophobicContact CG2-CD2 4.4Å; T731-Y733 HydrophobicContact CG2-CE1 4.49Å; T731-Y733 HydrophobicContact CG2-CE2 3.71Å
732C31.7Very low31Very low79 Ų79112.6 Ų112.653%0.53461%0.609SS.*EExtended strand (participates in β ladder)trans-89114.6178-70.40000112.4V730 A734V730-C732 PolarHBondContact O-N 3.33Å; C732-A734 PolarHBondContact O-N 2.98Å
733Y32.1Very low30.6Very low148 Ų148117.1 Ų117.158%0.5862%0.622SS**EExtended strand (participates in β ladder)trans-89.397.2167.1-62.5-80.5000110.5T722 T731T722-Y733 WeakPolarHBondContact O-CD2 3.21Å; T722-Y733 PolarHBondContact O-N 3.22Å; T722-Y733 VanDerWaalsContact O-N 3.14Å; T731-Y733 HydrophobicContact CG2-CD2 4.4Å; T731-Y733 HydrophobicContact CG2-CE1 4.49Å; T731-Y733 HydrophobicContact CG2-CE2 3.71Å
734A29.3Very low30.3Very low50 Ų50119.7 Ų119.741%0.41363%0.631SS.*  trans-79.2134161.800000109.1C732 T736C732-A734 PolarHBondContact O-N 2.98Å; A734-T736 PolarHBondContact O-N 3.3Å
735L27Very low30.2Very low166 Ų166122.5 Ų122.587%0.86964%0.643SS**SBendtrans-77.450.1166.6-83165.7000111.4P719P719-L735 HydrophobicContact CG-CD1 3.96Å
736T28.5Very low29.9Very low80 Ų80123.1 Ų123.149%0.49165%0.651SS.*SBendtrans-99.5155.1153.556.50000106.9A734 L738A734-T736 PolarHBondContact O-N 3.3Å; T736-L738 PolarHBondContact O-N 2.95Å
737G23.7Very low29.4Very low93 Ų93125.7 Ų125.796%0.95967%0.667SS**SBendtrans-6920.7-179.600000115.3
738L24.2Very low29.1Very low105 Ų105122.8 Ų122.855%0.5566%0.655SS.*  trans-90.7109.4-173.4-73.6164.4000110.6T736 Y740T736-L738 PolarHBondContact O-N 2.95Å; L738-Y740 HydrophobicContact CB-CE2 3.95Å
739Q24.9Very low28.9Very low190 Ų190123.2 Ų123.289%0.88866%0.655SS**  trans-94.199.2173.4-168.1174.136.300109.5
740Y25.8Very low28.6Very low170 Ų170128.7 Ų128.767%0.66768%0.678SS**  trans-76.9136.1173.2-57.6-77.9000110.4L738L738-Y740 HydrophobicContact CB-CE2 3.95Å
741R25.3Very low28.6Very low232 Ų232132.3 Ų132.388%0.87570%0.695SS**  trans-136.7112.9177-167.4176.7-174.2-171.8-0.7109.3K743R741-K743 PolarHBondContact O-N 3.2Å
742Q27.4Very low28.6Very low181 Ų181138.6 Ų138.685%0.84672%0.717SS**  trans-61.9123.1166.2-173176.57.800107.8
743K26.3Very low28.8Very low178 Ų178142.9 Ų142.977%0.77473%0.733SS**  trans-98.3101.6174.5-159.2-178.4-176.1-168.90106.3R741 N745R741-K743 PolarHBondContact O-N 3.2Å; K743-N745 PolarHBondContact O-N 3.16Å
744T30Very low28.8Very low89 Ų89140.3 Ų140.355%0.54674%0.737SS.*  trans-62130.4162.249.70000106.8D746T744-D746 VanDerWaalsContact CB-OD1 3.27Å; T744-D746 WeakPolarHBondContact CB-OD1 3.27Å; T744-D746 PolarHBondContact O-N 3.48Å; T744-D746 PolarHBondContact OG1-OD1 2.76Å
745N30.2Very low29.2Very low139 Ų139143.2 Ų143.274%0.74375%0.754SS**  trans-76.577.5166.6-78.9-14.9000106.9K743 T747K743-N745 PolarHBondContact O-N 3.16Å; N745-T747 PolarHBondContact O-N 3.35Å
746D30.3Very low29.6Very low121 Ų121139.7 Ų139.765%0.64774%0.743SS**  trans-66.291.4164.4-64.4-0.5000106.1T744 T748T744-D746 VanDerWaalsContact CB-OD1 3.27Å; T744-D746 WeakPolarHBondContact CB-OD1 3.27Å; T744-D746 PolarHBondContact O-N 3.48Å; T744-D746 PolarHBondContact OG1-OD1 2.76Å; D746-T748 PolarHBondContact O-N 2.79Å
747T30.4Very low29.9Very low117 Ų117142.5 Ų142.572%0.71876%0.755SS**  trans-67.481.9169.9-550000107.5N745 M749N745-T747 PolarHBondContact O-N 3.35Å; T747-M749 VanDerWaalsContact C-N 3.25Å; T747-M749 PolarHBondContact O-N 3.16Å
748T30Very low30.9Very low113 Ų113144.2 Ų144.269%0.69374%0.742SS**  trans-65.889.1170.845.40000108.7D746 N750D746-T748 PolarHBondContact O-N 2.79Å; T748-N750 PolarHBondContact O-N 3.43Å
749M30.8Very low31.8Very low173 Ų173145.8 Ų145.885%0.85275%0.751SS**  trans-65.173.9155.1-80.4-66.9-167.300108.7T747 D751T747-M749 VanDerWaalsContact C-N 3.25Å; T747-M749 PolarHBondContact O-N 3.16Å; M749-D751 PolarHBondContact O-N 3.33Å
750N28.9Very low32.7Very low138 Ų138143.5 Ų143.574%0.73875%0.745SS**  trans-74.4104.5148-82.9-24.5000105.9T748T748-N750 PolarHBondContact O-N 3.43Å
751D32.6Very low33.5Very low157 Ų157142.3 Ų142.384%0.8475%0.75SS**  -157.1136.8112.9-99.2-27.8000111.8M749M749-D751 PolarHBondContact O-N 3.33Å
752K32.4Very low34.1Very low191 Ų191138 Ų13883%0.8375%0.745SS**  trans-72.4131.3158.3-66.5170.6177.6174.30106.4
753I35.5Very low34.5Very low169 Ų169136.3 Ų136.387%0.86774%0.741SS**  -163.5147.5121.5-96.7145.9000109.1
754S31.4Very low35Very low95 Ų95135.2 Ų135.266%0.66474%0.744SS**  trans-70.8170.1-174.948.10000114.5
755S37.2Very low35.2Very low110 Ų110138 Ų13877%0.76976%0.756SS**  trans75.7146.4161.976.60000116.4
756S35.1Very low35.4Very low92 Ų92138.7 Ų138.764%0.64376%0.759SS**  cis-173.1137.8-25.445.90000108
757N36.3Very low35.5Very low139 Ų139140.7 Ų140.774%0.74376%0.764SS**  trans67.5162.3154.6-63.211.9000119.2
758D43.2Very low35.6Very low129 Ų129140 Ų14069%0.6976%0.764SS**  trans74.290.3156.2-49.3-25.7000118.3
759D43.5Very low35.5Very low138 Ų138142.3 Ų142.374%0.73877%0.772SS**  89.8140.7118-58.4-21000123.1
760D45Very low35.3Very low143 Ų143140.4 Ų140.477%0.76577%0.77SS**  trans78.1123.8153.5-59.8-20.3000124
761D41.1Very low35.1Very low144 Ų144138.6 Ų138.677%0.7777%0.769SS**  trans64.783.7144.9-68.9-19.8000122.4
762N39.1Very low34.8Very low143 Ų143137.5 Ų137.577%0.76577%0.768SS**  17.6133.3128.7-72.9-45.3000121.2
763N34.8Very low34.4Very low144 Ų144134.5 Ų134.577%0.7777%0.766SS**  trans75.468.8150.2-60.8-4.3000118.5
764N37.1Very low33.9Very low155 Ų155132.7 Ų132.783%0.82976%0.757SS**  trans-104.2112.7143-77.3-46.6000109.3D766N764-D766 VanDerWaalsContact C-N 3.28Å; N764-D766 PolarHBondContact O-N 2.99Å
765D35.1Very low33.5Very low148 Ų148133.5 Ų133.579%0.79176%0.763SS**  trans-78.179.2168.5-85.7-42.2000109.9H767D765-H767 PolarHBondContact O-N 3.18Å
766D34.3Very low32.9Very low153 Ų153134 Ų13482%0.81876%0.761SS**  trans-77.688.3177.6-127.6-13.1000110.2N764 S768N764-D766 VanDerWaalsContact C-N 3.28Å; N764-D766 PolarHBondContact O-N 2.99Å; D766-S768 VanDerWaalsContact C-N 3.31Å; D766-S768 PolarHBondContact O-N 3.49Å
767H32.6Very low32.4Very low164 Ų164135 Ų13576%0.75977%0.768SS**  trans-68.684176-77.5-51000111.9D765 N769D765-H767 PolarHBondContact O-N 3.18Å; H767-N769 PolarHBondContact O-N 2.76Å; H767-N769 VanDerWaalsContact O-N 3.11Å
768S31.4Very low31.8Very low102 Ų102137.5 Ų137.571%0.71377%0.767SS**  trans-64.8107.4176.462.30000112.8D766 T770D766-S768 VanDerWaalsContact C-N 3.31Å; D766-S768 PolarHBondContact O-N 3.49Å; S768-T770 PolarHBondContact O-N 3.32Å
769N27.2Very low30.9Very low161 Ų161140.1 Ų140.186%0.86178%0.775SS**  trans-65.4100175.4-78.5-51.3000111.8H767 S771H767-N769 PolarHBondContact O-N 2.76Å; H767-N769 VanDerWaalsContact O-N 3.11Å; N769-S771 VanDerWaalsContact C-N 3.29Å; N769-S771 PolarHBondContact O-N 3.01Å
770T27.2Very low30Very low133 Ų133139.4 Ų139.482%0.81677%0.769SS**  trans-78.474.2172.234.30000111.8S768 T772S768-T770 PolarHBondContact O-N 3.32Å; T770-T772 PolarHBondContact O-N 3.21Å
771S25.7Very low29.1Very low100 Ų100140 Ų14070%0.69977%0.772SS**  trans-74.2106.5174.1-1660000111.6N769 T773N769-S771 VanDerWaalsContact C-N 3.29Å; N769-S771 PolarHBondContact O-N 3.01Å; S771-T773 PolarHBondContact O-N 3.29Å
772T25.6Very low28.3Very low134 Ų134139.5 Ų139.582%0.82277%0.77SS**  trans-7687.4175.836.60000111.7T770 L774T770-T772 PolarHBondContact O-N 3.21Å; T772-L774 PolarHBondContact O-N 3.13Å
773T23.9Very low27.6Very low128 Ų128144.2 Ų144.279%0.78578%0.777SS**  trans-77.2119.3173.746.80000111.8S771S771-T773 PolarHBondContact O-N 3.29Å
774L24.4Very low27.3Very low131 Ų131144 Ų14469%0.68678%0.781SS**  trans-103.6107-177.5-147.7156.2000110T772 L796T772-L774 PolarHBondContact O-N 3.13Å; L774-L796 HydrophobicContact CD1-CD2 3.78Å
775S24.3Very low26.8Very low113 Ų113137.9 Ų137.979%0.7975%0.754SS**  trans-87.5120.6-17661.10000112.5
776V24.5Very low26.5Very low120 Ų120137 Ų13773%0.72776%0.757SS**  trans-97.4109.3175.2-179.20000110.6
777S23.7Very low26.4Very low114 Ų114135.9 Ų135.980%0.79775%0.751SS**  trans-87.3117.817251.60000111.1
778R24.6Very low26.2Very low190 Ų190132.7 Ų132.772%0.71775%0.747SS**  trans-96.397.1-174.7-169.7-170.1-163.6-179.55.4112M780R778-M780 HydrophobicContact CG-CG 4.07Å
779E24Very low26Very low185 Ų185132.6 Ų132.686%0.86475%0.752SS**  trans-87105.9163.4-72.9-167.7157.600110.1N781E779-N781 PolarHBondContact O-N 3.43Å
780M23.9Very low26.1Very low123 Ų123131.9 Ų131.961%0.60674%0.744SS**  trans-84107.5175.2-80.6165.156.500110.7R778R778-M780 HydrophobicContact CG-CG 4.07Å
781N26.1Very low26.1Very low154 Ų154132 Ų13282%0.82474%0.744SS**  trans-101.9119.5159.6-83.9-41.9000109.3E779 W783E779-N781 PolarHBondContact O-N 3.43Å; N781-W783 PolarHBondContact O-N 2.7Å
782N24.7Very low26Very low135 Ų135137.1 Ų137.172%0.72275%0.75SS**  trans-64.4130.8-169.9-67.9-23.7000113
783W25.4Very low26.1Very low241 Ų241136.6 Ų136.691%0.91373%0.733SS**  trans-126.4105.3161.4-128.962.3000108.9N781 G785N781-W783 PolarHBondContact O-N 2.7Å; W783-G785 PolarHBondContact O-N 2.83Å
784T26.8Very low26.1Very low140 Ų140137.1 Ų137.186%0.85973%0.73SS**  trans-94.387.7-178.351.30000110
785G27.7Very low26.2Very low26 Ų26136.1 Ų136.127%0.26872%0.722SS.*  trans-110.5152.2167.400000110.6W783 D787 S788W783-G785 PolarHBondContact O-N 2.83Å; G785-D787 PolarHBondContact O-N 3.4Å; G785-D787 VanDerWaalsContact O-N 3.14Å; G785-S788 WeakPolarHBondContact O-CB 3.12Å; G785-S788 PolarHBondContact O-N 3.4Å; G785-S788 PolarHBondContact O-OG 3.45Å; G785-S788 VanDerWaalsContact O-OG 3.13Å
786P27.5Very low26.3Very low130 Ų130135.7 Ų135.784%0.84471%0.71SS**THydrogen-bonded Turntrans-65.2-17.7-170.525.2-34.2000115.2
787D32.4Very low26.4Very low129 Ų129136 Ų13669%0.6971%0.707SS**THydrogen-bonded Turntrans-95.916.4-178.5-51.2-54.6000113.4G785 A789 E790G785-D787 PolarHBondContact O-N 3.4Å; G785-D787 VanDerWaalsContact O-N 3.14Å; D787-A789 PolarHBondContact O-N 3.1Å; D787-E790 PolarHBondContact O-N 3.08Å
788S29.4Very low26.5Very low98 Ų98136.2 Ų136.269%0.68570%0.699SS**THydrogen-bonded Turntrans-71.324-17361.40000116G785G785-S788 WeakPolarHBondContact O-CB 3.12Å; G785-S788 PolarHBondContact O-N 3.4Å; G785-S788 PolarHBondContact O-OG 3.45Å; G785-S788 VanDerWaalsContact O-OG 3.13Å
789A27.1Very low26.4Very low99 Ų99131.3 Ų131.382%0.81870%0.699SS**THydrogen-bonded Turntrans-95.7-4.3171.700000113.1D787 T791D787-A789 PolarHBondContact O-N 3.1Å; A789-T791 PolarHBondContact O-N 3.17Å
790E28.4Very low26.4Very low146 Ų146128 Ų12868%0.68269%0.687SS**  trans-65.7120179.6-69.7-166155.600112.7D787 Y792D787-E790 PolarHBondContact O-N 3.08Å; E790-Y792 PolarHBondContact O-N 2.99Å
791T27.4Very low26.5Very low136 Ų136129.4 Ų129.483%0.83470%0.697SS**  trans-52.1117.4-179.4-6.50000113.2A789 R793A789-T791 PolarHBondContact O-N 3.17Å; T791-R793 PolarHBondContact O-N 2.92Å
792Y24.7Very low26.5Very low208 Ų208127.4 Ų127.482%0.81669%0.69SS**  trans-62.4101.3166.6-66.4-91.9000110.3E790E790-Y792 PolarHBondContact O-N 2.99Å
793R26.5Very low26.6Very low123 Ų123128.5 Ų128.546%0.46470%0.695SS.*  trans-106.587.6173-162.9176.5174.7153.5-0.3110.4T791 E795T791-R793 PolarHBondContact O-N 2.92Å; R793-E795 HydrophobicContact CG-CG 4.15Å; R793-E795 IonicContact CZ-OE1 2.83Å; R793-E795 IonicContact NE-OE1 3.83Å; R793-E795 PolarHBondContact NE-OE1 3.33Å; R793-E795 IonicContact NH2-OE1 3.39Å; R793-E795 PolarHBondContact NH2-OE1 3.1Å; R793-E795 PolarHBondContact O-N 3.34Å
794L25.3Very low26.6Very low138 Ų138124.1 Ų124.172%0.72369%0.688SS**  trans-77.697.7165.4-99.5140.5000108.7
795E26.5Very low26.6Very low111 Ų111125.3 Ų125.352%0.51968%0.684SS.*  trans-88103.1164.1-70.7-170163.200109.3R793 L797R793-E795 HydrophobicContact CG-CG 4.15Å; R793-E795 IonicContact CZ-OE1 2.83Å; R793-E795 IonicContact NE-OE1 3.83Å; R793-E795 PolarHBondContact NE-OE1 3.33Å; R793-E795 IonicContact NH2-OE1 3.39Å; R793-E795 PolarHBondContact NH2-OE1 3.1Å; R793-E795 PolarHBondContact O-N 3.34Å; E795-L797 PolarHBondContact O-N 3.2Å; E795-L797 VanDerWaalsContact O-N 3.09Å
796L25.8Very low26.6Very low104 Ų104133.6 Ų133.655%0.54571%0.713SS.*  trans-66.9103.4160.2-94.886.8000108.1L774 L798L774-L796 HydrophobicContact CD1-CD2 3.78Å; L796-L798 HydrophobicContact CB-CD1 4.25Å; L796-L798 HydrophobicContact CD2-CD1 4.33Å; L796-L798 PolarHBondContact O-N 3Å
797L26.8Very low26.6Very low127 Ų127133.6 Ų133.667%0.66571%0.705SS**  trans-69.687.4158.6-85.3162.5000108.3E795 A799E795-L797 PolarHBondContact O-N 3.2Å; E795-L797 VanDerWaalsContact O-N 3.09Å; L797-A799 PolarHBondContact O-N 3.49Å
798L24.9Very low26.6Very low117 Ų117134.4 Ų134.461%0.61371%0.71SS**  trans-63.3102.3159-9399.6000107.8L796 N800L796-L798 HydrophobicContact CB-CD1 4.25Å; L796-L798 HydrophobicContact CD2-CD1 4.33Å; L796-L798 PolarHBondContact O-N 3Å; L798-N800 PolarHBondContact O-N 2.79Å
799A22.9Very low26.7Very low87 Ų87139.2 Ų139.272%0.71972%0.721SS**  trans-73.363.6159.500000109.4L797 N801L797-A799 PolarHBondContact O-N 3.49Å; A799-N801 PolarHBondContact O-N 2.95Å
800N24.6Very low27Very low116 Ų116143.8 Ų143.862%0.6272%0.723SS**  trans-77.8107163.1-9114.7000107.6L798 V802L798-N800 PolarHBondContact O-N 2.79Å; N800-V802 HydrophobicContact CB-CG2 4.25Å; N800-V802 PolarHBondContact O-N 2.94Å
801N25.8Very low27.2Very low153 Ų153144 Ų14482%0.81873%0.727SS**  trans-58.190149.6-74.4-25.2000107.1A799 L803A799-N801 PolarHBondContact O-N 2.95Å; N801-L803 PolarHBondContact O-N 3.28Å
802V25.7Very low27.5Very low111 Ų111143.3 Ų143.367%0.67372%0.723SS**  trans-70.289.5164.5-176.50000105.7N800 I804N800-V802 HydrophobicContact CB-CG2 4.25Å; N800-V802 PolarHBondContact O-N 2.94Å; V802-I804 HydrophobicContact CG1-CG1 3.84Å; V802-I804 PolarHBondContact O-N 3Å
803L26Very low27.8Very low159 Ų159141.1 Ų141.183%0.83273%0.725SS**  trans-56.193.7155.2-78.7160.5000106.2N801 E805N801-L803 PolarHBondContact O-N 3.28Å; L803-E805 PolarHBondContact O-N 3.27Å
804I25.6Very low28.3Very low148 Ų148139.1 Ų139.176%0.75973%0.73SS**  trans-69.988.8165.2-59.8179000105.1V802 K806V802-I804 HydrophobicContact CG1-CG1 3.84Å; V802-I804 PolarHBondContact O-N 3Å; I804-K806 PolarHBondContact O-N 3.31Å
805E28.1Very low28.8Very low165 Ų165140.1 Ų140.177%0.77173%0.731SS**  trans-63.4121.4176.3-167167.7-139.900108.4L803 N807L803-E805 PolarHBondContact O-N 3.27Å; E805-N807 VanDerWaalsContact C-N 3.28Å; E805-N807 PolarHBondContact O-N 3.28Å
806K26.5Very low29.2Very low201 Ų201143 Ų14387%0.87475%0.749SS**  trans-8469.1-162.8-168-177.8-178-179.40110.9I804I804-K806 PolarHBondContact O-N 3.31Å
807N28.6Very low29.5Very low129 Ų129144.5 Ų144.569%0.6976%0.758SS**  trans-137.7142.1176.2-85.1-40.6000112.7E805E805-N807 VanDerWaalsContact C-N 3.28Å; E805-N807 PolarHBondContact O-N 3.28Å
808N32.3Very low29.9Very low146 Ų146145.1 Ų145.178%0.78176%0.762SS**  trans7455.8168.6-57.2-21.8000118.7K810N808-K810 PolarHBondContact O-N 3.24Å
809E32.1Very low30.2Very low200 Ų200147.8 Ų147.894%0.93578%0.776SS**THydrogen-bonded Turntrans-59.881.1142.7-72.9-174.9147.700110.3
810K33.2Very low30.5Very low195 Ų195152.3 Ų152.385%0.84878%0.782SS**THydrogen-bonded Turntrans-164.5-8.2165.5-119.1161.4-171.7176.20120N808N808-K810 PolarHBondContact O-N 3.24Å
811L32.1Very low30.6Very low149 Ų149154.6 Ų154.678%0.7879%0.794SS**SBendtrans-113-4.2-162.9-129.987.7000119.3
812V33.6Very low30.9Very low123 Ų123152.6 Ų152.675%0.74579%0.792SS**  trans-123.851.5-175.4-160.40000112.8
813N31.8Very low30.9Very low161 Ų161153.1 Ų153.186%0.86180%0.796SS**SBendtrans-112.411.4168.7-91.7-15.8000112.9
814S35.7Very low31Very low81 Ų81152 Ų15257%0.56679%0.79SS**SBendtrans-109.6-22-172.347.20000115.6
815E35.5Very low31Very low160 Ų160154 Ų15475%0.74879%0.793SS**SBendtrans-99.9-14.6-172.6-64.7-165.6141.200115.1N817E815-N817 PolarHBondContact O-N 3.31Å
816L34.5Very low30.8Very low170 Ų170153.8 Ų153.889%0.8980%0.797SS**THydrogen-bonded Turntrans-75.1-3.9-177.1-14476.1000114.6
817N34.1Very low30.6Very low136 Ų136149.9 Ų149.973%0.72780%0.795SS**THydrogen-bonded Turntrans-100.8-2.2-172.4-75.7-27.6000115.3E815E815-N817 PolarHBondContact O-N 3.31Å
818N33.7Very low30.3Very low140 Ų140151.3 Ų151.375%0.74980%0.801SS**SBendtrans-110.43.8-169-83-21.6000116.6
819L32.1Very low29.8Very low174 Ų174150.3 Ų150.391%0.91180%0.8SS**  trans-117.419.8-179.1-123.879.5000115.8
820Q28.8Very low29.3Very low182 Ų182147.9 Ų147.985%0.8579%0.792SS**  trans-97.984.2162.1-74.4-173.4-14.400110.1
821N27.2Very low28.8Very low163 Ų163143.8 Ų143.887%0.87278%0.784SS**  trans172.978.7153-90.3-32.8000113.4
822S32Very low28.4Very low111 Ų111145.7 Ų145.778%0.77679%0.788SS**  trans-154.685.4148.162.60000110
823T26.4Very low27.9Very low123 Ų123144.6 Ų144.676%0.75579%0.786SS**  56.2141.497.3-5.50000117.1
824I26.9Very low27.6Very low135 Ų135143.9 Ų143.969%0.69278%0.782SS**  trans105.496.4145.2-69.4158.7000120.2
825K26.7Very low27.6Very low191 Ų191148.1 Ų148.183%0.8379%0.79SS**  99.9129.1128.7-76.7176.2-165.4170.50122.9
826N22.1Very low27.5Very low159 Ų159146.1 Ų146.185%0.8579%0.791SS**  trans-87.2160.3172.5-46.4-41.4000112.4
827S24.1Very low27.3Very low119 Ų119144.2 Ų144.283%0.83278%0.781SS**  trans-161.5137.6133.4540000112.2
828I21.1Very low27.4Very low160 Ų160145.4 Ų145.482%0.82178%0.782SS**  trans-104.9-172.8178.3-64.5164.1000108.4
829V22Very low27.5Very low125 Ų125144.1 Ų144.176%0.75878%0.775SS**  trans100.8133.1159.9178.80000113.7
830L21.1Very low27.6Very low148 Ų148140.3 Ų140.378%0.77576%0.755SS**  cis-151.6146.52.4-116.2159.4000112.9
831V22.5Very low27.9Very low110 Ų110135.1 Ų135.167%0.66774%0.739SS**  trans7.1133.7144.3171.90000122
832H24Very low28.4Very low189 Ų189133.4 Ų133.488%0.87573%0.726SS**  -154.5144.1114.1-111.4-59.5000112
833S23.2Very low28.7Very low99 Ų99136 Ų13669%0.69272%0.718SS**  trans-102.5153.6-17670.20000112.7
834D25.2Very low29.2Very low146 Ų146134 Ų13478%0.78170%0.702SS**  trans-165.292158-110.3-19.5000111.8
835K36.3Very low29.9Very low171 Ų171131 Ų13174%0.74369%0.693SS**  trans150.7144.3131.9-79.8150.8-169.9165.80114.1
836P32.5Very low30.4Very low117 Ų117125.2 Ų125.276%0.7668%0.676SS**SBendtrans-104.116.3-165.98.216.2000114.2
837L31.4Very low30.9Very low130 Ų130123.1 Ų123.168%0.68166%0.664SS**SBendtrans-92-32.9-166.6-152.773.9000113.9L840 S841L837-L840 PolarHBondContact O-N 3.45Å; L837-S841 PolarHBondContact O-N 2.94Å; L837-S841 VanDerWaalsContact O-N 3.16Å
838E36.2Very low31.6Very low161 Ų161123.4 Ų123.475%0.75266%0.655SS**Hα-helixtrans-72.4-34.8-175.6-75.1143.7-172.700112.3L840 S841 H842E838-L840 VanDerWaalsContact C-N 3.3Å; E838-L840 PolarHBondContact O-N 2.83Å; E838-S841 PolarHBondContact O-N 3.28Å; E838-H842 PolarHBondContact O-N 2.84Å
839D36.3Very low32.5Very low113 Ų113119.8 Ų119.860%0.60465%0.649SS**Hα-helixtrans-67.5-29.3174.9-164.551.1000112.5R843D839-R843 WeakPolarHBondContact O-CB 3.28Å; D839-R843 VanDerWaalsContact O-CG 3.25Å; D839-R843 WeakPolarHBondContact O-CG 3.41Å; D839-R843 PolarHBondContact O-N 2.72Å; D839-R843 VanDerWaalsContact O-N 3.15Å
840L33Very low33.1Very low95 Ų95117.6 Ų117.650%0.49764%0.639SS.*Hα-helixtrans-73.6-42.8172.5-166.973.9000111.4L837 E838 H842 R843 I844L837-L840 PolarHBondContact O-N 3.45Å; E838-L840 VanDerWaalsContact C-N 3.3Å; E838-L840 PolarHBondContact O-N 2.83Å; L840-H842 VanDerWaalsContact C-N 3.34Å; L840-H842 PolarHBondContact O-N 3.04Å; L840-R843 PolarHBondContact O-N 2.83Å; L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.97Å; L840-I844 VanDerWaalsContact O-CG1 3.32Å; L840-I844 WeakPolarHBondContact O-CG1 3.25Å; L840-I844 PolarHBondContact O-N 3.24Å
841S35Very low33.5Very low72 Ų72114.3 Ų114.350%0.50363%0.629SS.*Hα-helixtrans-61.1-43.2175.9-174.20000111.5L837 E838 R843 I844 S845L837-S841 PolarHBondContact O-N 2.94Å; L837-S841 VanDerWaalsContact O-N 3.16Å; E838-S841 PolarHBondContact O-N 3.28Å; S841-R843 PolarHBondContact O-N 3.36Å; S841-I844 PolarHBondContact O-N 3.08Å; S841-S845 WeakPolarHBondContact O-CB 3.34Å; S841-S845 PolarHBondContact O-N 3.45Å; S841-S845 PolarHBondContact O-OG 3.26Å
842H38.6Very low34.1Very low128 Ų128114.3 Ų114.359%0.59363%0.631SS**Hα-helixtrans-66.2-37.1177.9-155.6-53.6000112.1E838 L840 C846E838-H842 PolarHBondContact O-N 2.84Å; L840-H842 VanDerWaalsContact C-N 3.34Å; L840-H842 PolarHBondContact O-N 3.04Å; H842-C846 WeakPolarHBondContact O-CB 3.3Å; H842-C846 PolarHBondContact O-N 2.95Å; H842-C846 PolarHBondContact O-SG 3.08Å
843R37.9Very low34.5Very low165 Ų165112.6 Ų112.662%0.62363%0.628SS**Hα-helixtrans-68.5-38.4173.8-73.5174.870.3-174.61.4112.8D839 L840 S841 L847D839-R843 WeakPolarHBondContact O-CB 3.28Å; D839-R843 VanDerWaalsContact O-CG 3.25Å; D839-R843 WeakPolarHBondContact O-CG 3.41Å; D839-R843 PolarHBondContact O-N 2.72Å; D839-R843 VanDerWaalsContact O-N 3.15Å; L840-R843 PolarHBondContact O-N 2.83Å; S841-R843 PolarHBondContact O-N 3.36Å; R843-L847 WeakPolarHBondContact O-CB 3.49Å; R843-L847 PolarHBondContact O-N 3.03Å
844I37.8Very low35.1Very low82 Ų82115.3 Ų115.342%0.42163%0.634SS.*Hα-helixtrans-68-44.9176-69.9168000110.9L840 S841 C846 L847 I848L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.97Å; L840-I844 VanDerWaalsContact O-CG1 3.32Å; L840-I844 WeakPolarHBondContact O-CG1 3.25Å; L840-I844 PolarHBondContact O-N 3.24Å; S841-I844 PolarHBondContact O-N 3.08Å; I844-C846 VanDerWaalsContact C-N 3.34Å; I844-C846 PolarHBondContact O-N 3.16Å; I844-L847 WeakPolarHBondContact O-CB 3.34Å; I844-L847 PolarHBondContact O-N 3.06Å; I844-L847 VanDerWaalsContact O-N 3.12Å; I844-I848 HydrophobicContact CG2-CD1 3.66Å; I844-I848 HydrophobicContact CG2-CG1 4.33Å; I844-I848 WeakPolarHBondContact O-CG1 3.06Å; I844-I848 PolarHBondContact O-N 3.39Å
845S40.4Very low35.7Very low70 Ų70117.4 Ų117.449%0.4964%0.639SS.*Hα-helixtrans-62.4-38.8176.5-66.50000112.3S841 A849S841-S845 WeakPolarHBondContact O-CB 3.34Å; S841-S845 PolarHBondContact O-N 3.45Å; S841-S845 PolarHBondContact O-OG 3.26Å; S845-A849 VanDerWaalsContact O-CB 3.23Å; S845-A849 WeakPolarHBondContact O-CB 3.47Å; S845-A849 PolarHBondContact O-N 3.47Å
846C38Very low35.6Very low70 Ų70115.2 Ų115.247%0.47364%0.635SS.*Hα-helixtrans-66-38.5171.5-71.60000112.8H842 I844 S850H842-C846 WeakPolarHBondContact O-CB 3.3Å; H842-C846 PolarHBondContact O-N 2.95Å; H842-C846 PolarHBondContact O-SG 3.08Å; I844-C846 VanDerWaalsContact C-N 3.34Å; I844-C846 PolarHBondContact O-N 3.16Å; C846-S850 VanDerWaalsContact O-CB 3.27Å; C846-S850 WeakPolarHBondContact O-CB 3.23Å; C846-S850 PolarHBondContact O-N 2.86Å; C846-S850 VanDerWaalsContact O-N 3.14Å; C846-S850 PolarHBondContact O-OG 3.31Å
847L32.5Very low35.9Very low116 Ų116116.2 Ų116.261%0.60763%0.633SS**Hα-helixtrans-62.8-48.8175-103.8145.7000111.7R843 I844 S850R843-L847 WeakPolarHBondContact O-CB 3.49Å; R843-L847 PolarHBondContact O-N 3.03Å; I844-L847 WeakPolarHBondContact O-CB 3.34Å; I844-L847 PolarHBondContact O-N 3.06Å; I844-L847 VanDerWaalsContact O-N 3.12Å; L847-S850 PolarHBondContact O-N 2.85Å; L847-S850 VanDerWaalsContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.41Å
848I38.6Very low36.2Very low124 Ų124118.3 Ų118.364%0.63664%0.636SS**Hα-helixtrans-65.1-42.8179.6-65169.4000111.1I844 S850 S851I844-I848 HydrophobicContact CG2-CD1 3.66Å; I844-I848 HydrophobicContact CG2-CG1 4.33Å; I844-I848 WeakPolarHBondContact O-CG1 3.06Å; I844-I848 PolarHBondContact O-N 3.39Å; I848-S850 PolarHBondContact O-N 2.99Å; I848-S851 PolarHBondContact O-N 3.39Å
849A39.6Very low36.5Very low85 Ų85115.8 Ų115.870%0.70263%0.628SS**Hα-helixtrans-65.9-17.7175.600000113.8S845S845-A849 VanDerWaalsContact O-CB 3.23Å; S845-A849 WeakPolarHBondContact O-CB 3.47Å; S845-A849 PolarHBondContact O-N 3.47Å
850S34.7Very low36.8Very low78 Ų78115 Ų11555%0.54563%0.63SS.*THydrogen-bonded Turntrans-93.7-1.7-178.872.70000115.1C846 L847 I848C846-S850 VanDerWaalsContact O-CB 3.27Å; C846-S850 WeakPolarHBondContact O-CB 3.23Å; C846-S850 PolarHBondContact O-N 2.86Å; C846-S850 VanDerWaalsContact O-N 3.14Å; C846-S850 PolarHBondContact O-OG 3.31Å; L847-S850 PolarHBondContact O-N 2.85Å; L847-S850 VanDerWaalsContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.41Å; I848-S850 PolarHBondContact O-N 2.99Å
851S30.8Very low37.5Very low80 Ų80117.3 Ų117.356%0.55964%0.642SS**  trans-132.883.8-175.7-71.60000113.6I848 N853I848-S851 PolarHBondContact O-N 3.39Å; S851-N853 VanDerWaalsContact C-N 3.28Å; S851-N853 PolarHBondContact O-N 2.99Å
852P34.6Very low38Very low110 Ų110120.4 Ų120.471%0.71465%0.649SS**  trans-76.81.7-177.1-16.232.2000116.2L854P852-L854 PolarHBondContact O-N 3.25Å
853N33Very low38.4Very low153 Ų153117.7 Ų117.782%0.81864%0.641SS**  trans-93.725.6-163.6-82.5-6000115.7S851 H855S851-N853 VanDerWaalsContact C-N 3.28Å; S851-N853 PolarHBondContact O-N 2.99Å; N853-H855 PolarHBondContact O-N 3.1Å
854L34.5Very low39Very low156 Ų156115.5 Ų115.582%0.81764%0.641SS**  trans-83.117.6-179.2-134.886.3000114.8P852P852-L854 PolarHBondContact O-N 3.25Å
855H39.1Very low39.7Very low189 Ų189119.2 Ų119.288%0.87565%0.651SS**  trans-93.57.2-169.6-122.1-52.4000115.4N853N853-H855 PolarHBondContact O-N 3.1Å
856D33.4Very low40.4Very low125 Ų125119.2 Ų119.267%0.66865%0.645SS**  trans-11970.2-171.9-149.20.9000111.4
857I39.5Very low41.4Very low139 Ų139119.8 Ų119.871%0.71365%0.647SS**  trans-113.593.9170.3-57.7-178.7000108.8N859I857-N859 PolarHBondContact O-N 3.32Å
858K36.2Very low42.9Very low173 Ų173123.4 Ų123.475%0.75265%0.652SS**  trans-87.495.1170.5-71.8171.1-179.1157.90110.1
859N42.3Very low44.4Very low108 Ų108120.3 Ų120.358%0.57864%0.635SS**  trans-148.3109.6160.7-97.9-21000109.8I857I857-N859 PolarHBondContact O-N 3.32Å
860P44.6Very low45.6Very low98 Ų98120.4 Ų120.464%0.63662%0.623SS**G310 helixtrans-76.5-23.7-176.629.6-33.7000113.8E862 V863P860-E862 VanDerWaalsContact C-N 3.29Å; P860-E862 PolarHBondContact O-N 3.22Å; P860-V863 PolarHBondContact O-N 3.42Å
861D46.5Very low47.3Very low142 Ų142121.6 Ų121.676%0.75962%0.623SS**G310 helixtrans-75-14.4-169.4-58.3-21.7000114.1
862E45.4Very low49.4Very low137 Ų137119.9 Ų119.964%0.6462%0.618SS**G310 helixtrans-87.6-15.1-177-152.7163.1-15400112.7P860P860-E862 VanDerWaalsContact C-N 3.29Å; P860-E862 PolarHBondContact O-N 3.22Å
863V46.4Very low51.3Low71 Ų71117.6 Ų117.643%0.4360%0.602SS.*Hα-helixtrans-81.3-32.3-174.5-175.30000112.7P860 Y865 T867P860-V863 PolarHBondContact O-N 3.42Å; V863-Y865 PolarHBondContact O-N 2.96Å; V863-T867 PolarHBondContact O-N 2.84Å; V863-T867 PolarHBondContact O-OG1 3.16Å
864D50.9Low53.1Low119 Ų119116.9 Ų116.964%0.63659%0.591SS**Hα-helixtrans-68.2-35.1-177.2-89.6-9000112.9T867 W868D864-T867 PolarHBondContact O-N 3.31Å; D864-W868 PolarHBondContact O-N 3.39Å
865Y53.6Low54.9Low160 Ų160112 Ų11263%0.62757%0.573SS**Hα-helixtrans-68.6-42.7-179.3-173.5-102000112.3V863 T867 W868 Q869V863-Y865 PolarHBondContact O-N 2.96Å; Y865-T867 VanDerWaalsContact C-N 3.29Å; Y865-T867 PolarHBondContact O-N 3.32Å; Y865-W868 PolarHBondContact O-N 2.85Å; Y865-Q869 HydrophobicContact CE1-CG 4.25Å; Y865-Q869 PolarHBondContact O-N 2.61Å; Y865-Q869 PolarHBondContact OH-NE2 2.81Å
866I55Low56.8Low71 Ų71109.9 Ų109.936%0.36456%0.562SS.*Hα-helixtrans-62.3-39.9177.9-64.1171.6000110.3V212 W868 Q869 L870V212-I866 HydrophobicContact CG2-CG2 4.36Å; I866-W868 PolarHBondContact O-N 3.12Å; I866-Q869 PolarHBondContact O-N 3.29Å; I866-L870 HydrophobicContact CG2-CD1 3.8Å; I866-L870 PolarHBondContact O-N 3.49Å
867T57.8Low58.9Low81 Ų81106.8 Ų106.850%0.49755%0.548SS..Hα-helixtrans-64.5-40.8-179.5-53.60000112.4V863 D864 Y865 L870 L871V863-T867 PolarHBondContact O-N 2.84Å; V863-T867 PolarHBondContact O-OG1 3.16Å; D864-T867 PolarHBondContact O-N 3.31Å; Y865-T867 VanDerWaalsContact C-N 3.29Å; Y865-T867 PolarHBondContact O-N 3.32Å; T867-L870 PolarHBondContact O-N 3.44Å; T867-L871 PolarHBondContact O-N 2.61Å; T867-L871 VanDerWaalsContact O-N 3.14Å
868W65.7Low60.7Low193 Ų193105.8 Ų105.873%0.73154%0.538SS*.Hα-helixtrans-68.5-36175.6-85.9101.6000113.5D864 Y865 I866 L871 G872D864-W868 PolarHBondContact O-N 3.39Å; Y865-W868 PolarHBondContact O-N 2.85Å; I866-W868 PolarHBondContact O-N 3.12Å; W868-L871 HydrophobicContact CE3-CD2 4.38Å; W868-L871 HydrophobicContact CZ3-CD2 4.24Å; W868-G872 PolarHBondContact O-N 3.12Å; W868-G872 VanDerWaalsContact O-N 3.13Å
869Q68.3Low62.8Low58 Ų58101.4 Ų101.427%0.27153%0.526SS..Hα-helixtrans-63.2-48.3172.9-71.4-164.4-12.300111L211 Y865 I866 L871 G872 V873L211-Q869 HydrophobicContact CD2-CB 4.15Å; L211-Q869 WeakPolarHBondContact CD2-O 3.41Å; Y865-Q869 HydrophobicContact CE1-CG 4.25Å; Y865-Q869 PolarHBondContact O-N 2.61Å; Y865-Q869 PolarHBondContact OH-NE2 2.81Å; I866-Q869 PolarHBondContact O-N 3.29Å; Q869-L871 VanDerWaalsContact C-N 3.31Å; Q869-L871 PolarHBondContact O-N 3.34Å; Q869-G872 WeakPolarHBondContact O-CA 3.45Å; Q869-G872 PolarHBondContact O-N 3.14Å; Q869-V873 PolarHBondContact O-N 2.91Å
870L65.9Low64.7Low87 Ų8799.2 Ų99.246%0.45552%0.517SS..Hα-helixtrans-52.5-45.5176.8-100.2135.5000112.7L211 I866 T867 G872 F874L211-L870 HydrophobicContact CB-CG 4.43Å; L211-L870 HydrophobicContact CD1-CB 4.42Å; L211-L870 HydrophobicContact CD1-CD2 3.75Å; L211-L870 HydrophobicContact CD1-CG 3.84Å; L211-L870 HydrophobicContact CD2-CB 4.4Å; L211-L870 HydrophobicContact CD2-CG 4.19Å; L211-L870 HydrophobicContact CG-CG 4.38Å; I866-L870 HydrophobicContact CG2-CD1 3.8Å; I866-L870 PolarHBondContact O-N 3.49Å; T867-L870 PolarHBondContact O-N 3.44Å; L870-G872 VanDerWaalsContact C-N 3.35Å; L870-G872 PolarHBondContact O-N 3.45Å; L870-F874 WeakPolarHBondContact O-CB 3.46Å; L870-F874 PolarHBondContact O-N 3.42Å; L870-F874 VanDerWaalsContact O-N 3.09Å
871L70.7Confident66.4Low104 Ų10498.8 Ų98.855%0.54551%0.508SS..Hα-helixtrans-64.8-37.7176-170.664.1000112.5T867 W868 Q869 A875T867-L871 PolarHBondContact O-N 2.61Å; T867-L871 VanDerWaalsContact O-N 3.14Å; W868-L871 HydrophobicContact CE3-CD2 4.38Å; W868-L871 HydrophobicContact CZ3-CD2 4.24Å; Q869-L871 VanDerWaalsContact C-N 3.31Å; Q869-L871 PolarHBondContact O-N 3.34Å; L871-A875 PolarHBondContact O-N 3.42Å
872G74.3Confident68Low43 Ų4396.3 Ų96.344%0.44349%0.494SS..Hα-helixtrans-63.7-48.3178.300000113.5W868 Q869 L870 A875 F876W868-G872 PolarHBondContact O-N 3.12Å; W868-G872 VanDerWaalsContact O-N 3.13Å; Q869-G872 WeakPolarHBondContact O-CA 3.45Å; Q869-G872 PolarHBondContact O-N 3.14Å; L870-G872 VanDerWaalsContact C-N 3.35Å; L870-G872 PolarHBondContact O-N 3.45Å; G872-A875 PolarHBondContact O-N 3.24Å; G872-F876 PolarHBondContact O-N 3.1Å
873V75.2Confident69.7Low62 Ų6294.5 Ų94.538%0.37649%0.487SS..Hα-helixtrans-72.1-33.9178.3176.80000111.4L211 Q869 A875 F876 T877L211-V873 HydrophobicContact CD1-CB 3.78Å; L211-V873 HydrophobicContact CD1-CG1 4.04Å; L211-V873 HydrophobicContact CD1-CG2 4.45Å; L211-V873 HydrophobicContact CD2-CB 3.56Å; L211-V873 HydrophobicContact CD2-CG1 4.45Å; L211-V873 HydrophobicContact CD2-CG2 3.36Å; L211-V873 HydrophobicContact CG-CB 3.62Å; L211-V873 HydrophobicContact CG-CG1 3.98Å; L211-V873 HydrophobicContact CG-CG2 3.74Å; Q869-V873 PolarHBondContact O-N 2.91Å; V873-A875 VanDerWaalsContact C-N 3.33Å; V873-A875 PolarHBondContact O-N 3.39Å; V873-F876 PolarHBondContact O-N 3.07Å; V873-F876 VanDerWaalsContact O-N 3.15Å; V873-T877 HydrophobicContact CG1-CG2 4.05Å; V873-T877 WeakPolarHBondContact O-CG2 3.21Å; V873-T877 PolarHBondContact O-N 3.14Å; V873-T877 PolarHBondContact O-OG1 3.49Å
874F69.1Low71.2Confident138 Ų13894.4 Ų94.461%0.60549%0.49SS*.Hα-helixtrans-60.5-41.8172.4-174.2-94000112.1L870 T877 F878L870-F874 WeakPolarHBondContact O-CB 3.46Å; L870-F874 PolarHBondContact O-N 3.42Å; L870-F874 VanDerWaalsContact O-N 3.09Å; F874-T877 PolarHBondContact O-OG1 3.33Å; F874-T877 VanDerWaalsContact O-OG1 3.13Å; F874-F878 VanDerWaalsContact O-CB 3.3Å; F874-F878 WeakPolarHBondContact O-CB 3.29Å; F874-F878 PolarHBondContact O-N 3.13Å
875A73.3Confident72.5Confident53 Ų5394 Ų9444%0.43849%0.487SS..Hα-helixtrans-63-41.217300000111.9L871 G872 V873 V879L871-A875 PolarHBondContact O-N 3.42Å; G872-A875 PolarHBondContact O-N 3.24Å; V873-A875 VanDerWaalsContact C-N 3.33Å; V873-A875 PolarHBondContact O-N 3.39Å; A875-V879 WeakPolarHBondContact O-CG2 3.44Å; A875-V879 PolarHBondContact O-N 3Å
876F78.3Confident73.7Confident145 Ų14590.1 Ų90.164%0.63648%0.48SS*.Hα-helixtrans-67.6-42.8179-173.9-97.6000113.2G872 V873 V879 T880G872-F876 PolarHBondContact O-N 3.1Å; V873-F876 PolarHBondContact O-N 3.07Å; V873-F876 VanDerWaalsContact O-N 3.15Å; F876-V879 PolarHBondContact O-N 3.32Å; F876-T880 WeakPolarHBondContact O-CB 3.41Å; F876-T880 PolarHBondContact O-N 3.14Å; F876-T880 PolarHBondContact O-OG1 3.1Å
877T77.2Confident74.7Confident60 Ų6087.5 Ų87.537%0.36847%0.467SS..Hα-helixtrans-67.6-38176.357.10000111.3V873 F874 T880 L881V873-T877 HydrophobicContact CG1-CG2 4.05Å; V873-T877 WeakPolarHBondContact O-CG2 3.21Å; V873-T877 PolarHBondContact O-N 3.14Å; V873-T877 PolarHBondContact O-OG1 3.49Å; F874-T877 PolarHBondContact O-OG1 3.33Å; F874-T877 VanDerWaalsContact O-OG1 3.13Å; T877-T880 PolarHBondContact O-N 3.49Å; T877-L881 WeakPolarHBondContact O-CB 3.4Å; T877-L881 PolarHBondContact O-N 3.35Å
878F78.3Confident75.5Confident118 Ų11886 Ų8652%0.51846%0.463SS..Hα-helixtrans-62.8-46.7174.1-174.2-95.9000112.2F874 T880 L881 M882F874-F878 VanDerWaalsContact O-CB 3.3Å; F874-F878 WeakPolarHBondContact O-CB 3.29Å; F874-F878 PolarHBondContact O-N 3.13Å; F878-T880 VanDerWaalsContact C-N 3.34Å; F878-T880 PolarHBondContact O-N 3.47Å; F878-L881 PolarHBondContact O-N 3.09Å; F878-M882 HydrophobicContact CD1-CG 4.13Å; F878-M882 HydrophobicContact CE1-CG 3.76Å; F878-M882 HydrophobicContact CE1-SD 4.47Å; F878-M882 HydrophobicContact CZ-CG 4.01Å; F878-M882 HydrophobicContact CZ-SD 4.22Å; F878-M882 WeakPolarHBondContact O-CB 3.44Å; F878-M882 VanDerWaalsContact O-CG 3.31Å; F878-M882 WeakPolarHBondContact O-CG 3.46Å; F878-M882 PolarHBondContact O-N 2.81Å
879V80.8Confident75.9Confident82 Ų8282.8 Ų82.850%0.49745%0.454SS..Hα-helixtrans-60.9-43.7174.7168.90000111A875 F876 L881 M882 I883A875-V879 WeakPolarHBondContact O-CG2 3.44Å; A875-V879 PolarHBondContact O-N 3Å; F876-V879 PolarHBondContact O-N 3.32Å; V879-L881 PolarHBondContact O-N 2.85Å; V879-M882 PolarHBondContact O-N 3.01Å; V879-I883 HydrophobicContact CG1-CD1 3.87Å; V879-I883 VanDerWaalsContact O-CG1 3.31Å; V879-I883 WeakPolarHBondContact O-CG1 3.48Å; V879-I883 PolarHBondContact O-N 3.02Å
880T81.5Confident76.1Confident61 Ų6182.1 Ų82.137%0.37445%0.454SS..Hα-helixtrans-62.3-43.3177.9-56.70000111.5F876 T877 F878 I883 S884F876-T880 WeakPolarHBondContact O-CB 3.41Å; F876-T880 PolarHBondContact O-N 3.14Å; F876-T880 PolarHBondContact O-OG1 3.1Å; T877-T880 PolarHBondContact O-N 3.49Å; F878-T880 VanDerWaalsContact C-N 3.34Å; F878-T880 PolarHBondContact O-N 3.47Å; T880-I883 PolarHBondContact O-N 3.15Å; T880-S884 PolarHBondContact O-N 3.23Å; T880-S884 PolarHBondContact O-OG 2.93Å; T880-S884 VanDerWaalsContact O-OG 3.04Å
881L81.4Confident76.2Confident89 Ų8980.1 Ų80.147%0.46645%0.447SS..Hα-helixtrans-64.9-42176.5-172.3150.4000111.5T877 F878 V879 I883 S884 L885T877-L881 WeakPolarHBondContact O-CB 3.4Å; T877-L881 PolarHBondContact O-N 3.35Å; F878-L881 PolarHBondContact O-N 3.09Å; V879-L881 PolarHBondContact O-N 2.85Å; L881-I883 VanDerWaalsContact C-N 3.35Å; L881-I883 PolarHBondContact O-N 2.66Å; L881-S884 PolarHBondContact O-N 3.2Å; L881-L885 WeakPolarHBondContact O-CB 3.31Å; L881-L885 PolarHBondContact O-N 3.27Å
882M79.6Confident76.1Confident91 Ų9182.3 Ų82.345%0.44846%0.458SS..Hα-helixtrans-62.5-39.8175.1-74.2-66.7-69.600112.2F878 V879 T886F878-M882 HydrophobicContact CD1-CG 4.13Å; F878-M882 HydrophobicContact CE1-CG 3.76Å; F878-M882 HydrophobicContact CE1-SD 4.47Å; F878-M882 HydrophobicContact CZ-CG 4.01Å; F878-M882 HydrophobicContact CZ-SD 4.22Å; F878-M882 WeakPolarHBondContact O-CB 3.44Å; F878-M882 VanDerWaalsContact O-CG 3.31Å; F878-M882 WeakPolarHBondContact O-CG 3.46Å; F878-M882 PolarHBondContact O-N 2.81Å; V879-M882 PolarHBondContact O-N 3.01Å; M882-T886 WeakPolarHBondContact O-CB 3.28Å; M882-T886 PolarHBondContact O-N 2.87Å; M882-T886 PolarHBondContact O-OG1 3.14Å
883I81.5Confident75.7Confident98 Ų9886.9 Ų86.950%0.50347%0.468SS..Hα-helixtrans-62.2-52.3172-68.2164.5000109.6V879 T880 L881 L885 T886 V887V879-I883 HydrophobicContact CG1-CD1 3.87Å; V879-I883 VanDerWaalsContact O-CG1 3.31Å; V879-I883 WeakPolarHBondContact O-CG1 3.48Å; V879-I883 PolarHBondContact O-N 3.02Å; T880-I883 PolarHBondContact O-N 3.15Å; L881-I883 VanDerWaalsContact C-N 3.35Å; L881-I883 PolarHBondContact O-N 2.66Å; I883-L885 VanDerWaalsContact C-N 3.32Å; I883-L885 PolarHBondContact O-N 2.62Å; I883-T886 CarbonylContact O-C 3.51Å; I883-T886 WeakPolarHBondContact O-CA 3.21Å; I883-T886 WeakPolarHBondContact O-CB 3.38Å; I883-T886 PolarHBondContact O-N 2.96Å; I883-V887 HydrophobicContact CG2-CG2 4.3Å; I883-V887 VanDerWaalsContact O-CG2 3.25Å; I883-V887 WeakPolarHBondContact O-CG2 3.25Å; I883-V887 PolarHBondContact O-N 2.8Å
884S77.4Confident75.2Confident69 Ų6991.4 Ų91.448%0.48348%0.479SS..Hα-helixtrans-57.5-41.2179.1-600000113T880 L881 T886 V887 A888T880-S884 PolarHBondContact O-N 3.23Å; T880-S884 PolarHBondContact O-OG 2.93Å; T880-S884 VanDerWaalsContact O-OG 3.04Å; L881-S884 PolarHBondContact O-N 3.2Å; S884-T886 VanDerWaalsContact C-N 3.33Å; S884-V887 PolarHBondContact O-N 3.04Å; S884-A888 WeakPolarHBondContact O-CB 3.15Å; S884-A888 PolarHBondContact O-N 3.15Å
885L78.4Confident74.6Confident112 Ų11294.5 Ų94.559%0.58650%0.495SS*.Hα-helixtrans-65-38175.9-14787.3000111.4L881 I883 A888 F889L881-L885 WeakPolarHBondContact O-CB 3.31Å; L881-L885 PolarHBondContact O-N 3.27Å; I883-L885 VanDerWaalsContact C-N 3.32Å; I883-L885 PolarHBondContact O-N 2.62Å; L885-A888 PolarHBondContact O-N 3.31Å; L885-F889 VanDerWaalsContact O-CB 3.28Å; L885-F889 WeakPolarHBondContact O-CB 3.26Å; L885-F889 PolarHBondContact O-N 2.8Å
886T78.4Confident74Confident78 Ų7895.6 Ų95.648%0.47951%0.511SS..Hα-helixtrans-67.4-39.7175.8-56.20000111.7M882 I883 S884 T890M882-T886 WeakPolarHBondContact O-CB 3.28Å; M882-T886 PolarHBondContact O-N 2.87Å; M882-T886 PolarHBondContact O-OG1 3.14Å; I883-T886 CarbonylContact O-C 3.51Å; I883-T886 WeakPolarHBondContact O-CA 3.21Å; I883-T886 WeakPolarHBondContact O-CB 3.38Å; I883-T886 PolarHBondContact O-N 2.96Å; S884-T886 VanDerWaalsContact C-N 3.33Å; T886-T890 PolarHBondContact O-N 3.25Å; T886-T890 PolarHBondContact O-OG1 3.12Å
887V76.2Confident73.1Confident15 Ų1589.8 Ų89.89%0.09149%0.488CS..Hα-helixtrans-63.9-48.7172.7-1710000110.4I883 S884 F889 T890 C891 F899 F902I883-V887 HydrophobicContact CG2-CG2 4.3Å; I883-V887 VanDerWaalsContact O-CG2 3.25Å; I883-V887 WeakPolarHBondContact O-CG2 3.25Å; I883-V887 PolarHBondContact O-N 2.8Å; S884-V887 PolarHBondContact O-N 3.04Å; V887-F889 VanDerWaalsContact C-N 3.33Å; V887-F889 PolarHBondContact O-N 3.35Å; V887-T890 WeakPolarHBondContact CA-OG1 3.15Å; V887-T890 PolarHBondContact O-N 3.46Å; V887-T890 PolarHBondContact O-OG1 3.28Å; V887-T890 VanDerWaalsContact O-OG1 3.08Å; V887-C891 WeakPolarHBondContact O-CB 3.32Å; V887-C891 PolarHBondContact O-N 2.88Å; V887-F899 HydrophobicContact CG1-CD2 3.82Å; V887-F899 HydrophobicContact CG1-CE2 3.96Å; V887-F902 HydrophobicContact CB-CD1 4.43Å; V887-F902 HydrophobicContact CB-CE1 4.19Å; V887-F902 HydrophobicContact CB-CZ 4.36Å; V887-F902 HydrophobicContact CG1-CD1 3.73Å; V887-F902 HydrophobicContact CG1-CD2 4.42Å; V887-F902 HydrophobicContact CG1-CE1 3.99Å; V887-F902 HydrophobicContact CG1-CG 3.98Å; V887-F902 HydrophobicContact CG1-CZ 4.44Å; V887-F902 HydrophobicContact CG2-CD1 3.97Å; V887-F902 HydrophobicContact CG2-CE1 3.35Å; V887-F902 HydrophobicContact CG2-CE2 4.47Å; V887-F902 HydrophobicContact CG2-CZ 3.66Å
888A74.2Confident72.5Confident49 Ų4992.4 Ų92.441%0.40550%0.5SS..Hα-helixtrans-59.1-43.8178.500000111.9S884 L885 C891 L892S884-A888 WeakPolarHBondContact O-CB 3.15Å; S884-A888 PolarHBondContact O-N 3.15Å; L885-A888 PolarHBondContact O-N 3.31Å; A888-C891 PolarHBondContact O-N 2.87Å; A888-L892 WeakPolarHBondContact O-CB 3.26Å; A888-L892 WeakPolarHBondContact O-CG 3.28Å; A888-L892 PolarHBondContact O-N 2.99Å
889F74.7Confident71.7Confident126 Ų12692.9 Ų92.955%0.55350%0.502SS*.Hα-helixtrans-63.5-42.3176.5-174.1-95.9000112.4L885 V887 L892 H893L885-F889 VanDerWaalsContact O-CB 3.28Å; L885-F889 WeakPolarHBondContact O-CB 3.26Å; L885-F889 PolarHBondContact O-N 2.8Å; V887-F889 VanDerWaalsContact C-N 3.33Å; V887-F889 PolarHBondContact O-N 3.35Å; F889-L892 PolarHBondContact O-N 2.91Å; F889-H893 AromaticContact CE1-CD2 3.83Å; F889-H893 AromaticContact CE2-CD2 3.49Å; F889-H893 VanDerWaalsContact CE2-CD2 3.49Å; F889-H893 WeakPolarHBondContact CE2-CD2 3.46Å; F889-H893 AromaticContact CE2-NE2 3.74Å; F889-H893 AromaticContact CZ-CD2 3.37Å; F889-H893 WeakPolarHBondContact CZ-CD2 3.46Å; F889-H893 AromaticContact CZ-NE2 3.68Å; F889-H893 WeakPolarHBondContact O-CB 3.07Å; F889-H893 PolarHBondContact O-N 2.91Å
890T72.5Confident71.2Confident45 Ų4594.2 Ų94.228%0.27651%0.51SS..Hα-helixtrans-71.1-35.5177.642.20000113.2T886 V887 R894 F902T886-T890 PolarHBondContact O-N 3.25Å; T886-T890 PolarHBondContact O-OG1 3.12Å; V887-T890 WeakPolarHBondContact CA-OG1 3.15Å; V887-T890 PolarHBondContact O-N 3.46Å; V887-T890 PolarHBondContact O-OG1 3.28Å; V887-T890 VanDerWaalsContact O-OG1 3.08Å; T890-R894 PolarHBondContact O-N 2.91Å; T890-R894 VanDerWaalsContact O-N 3.09Å; T890-F902 WeakPolarHBondContact OG1-CE2 3.41Å
891C67.9Low70.6Confident45 Ų4594.2 Ų94.230%0.30451%0.513SS..Hα-helixtrans-67.3-35.7171.1-74.70000112.8V887 A888 C897V887-C891 WeakPolarHBondContact O-CB 3.32Å; V887-C891 PolarHBondContact O-N 2.88Å; A888-C891 PolarHBondContact O-N 2.87Å; C891-C897 PolarHBondContact SG-O 3.27Å; C891-C897 VanDerWaalsContact SG-O 3.37Å
892L67.8Low70.1Confident149 Ų14992 Ų9278%0.7850%0.499SS*.Hα-helixtrans-71-36.1175.4-84.3160.9000113.1A888 F889A888-L892 WeakPolarHBondContact O-CB 3.26Å; A888-L892 WeakPolarHBondContact O-CG 3.28Å; A888-L892 PolarHBondContact O-N 2.99Å; F889-L892 PolarHBondContact O-N 2.91Å
893H67Low69.8Low140 Ų14091.1 Ų91.165%0.64850%0.496SS*.Hα-helixtrans-91.4-14-176.3-96.5-73.4000115.7F889F889-H893 AromaticContact CE1-CD2 3.83Å; F889-H893 AromaticContact CE2-CD2 3.49Å; F889-H893 VanDerWaalsContact CE2-CD2 3.49Å; F889-H893 WeakPolarHBondContact CE2-CD2 3.46Å; F889-H893 AromaticContact CE2-NE2 3.74Å; F889-H893 AromaticContact CZ-CD2 3.37Å; F889-H893 WeakPolarHBondContact CZ-CD2 3.46Å; F889-H893 AromaticContact CZ-NE2 3.68Å; F889-H893 WeakPolarHBondContact O-CB 3.07Å; F889-H893 PolarHBondContact O-N 2.91Å
894R64.3Low69.5Low157 Ų15793.6 Ų93.659%0.59250%0.503SS*.SBendtrans-109.4103.6170.8-85.7-176.9159.2171.8-4.6111.1T890 G896 C897T890-R894 PolarHBondContact O-N 2.91Å; T890-R894 VanDerWaalsContact O-N 3.09Å; R894-G896 PolarHBondContact O-N 3.13Å; R894-C897 HydrophobicContact CB-CB 3.57Å; R894-C897 PolarHBondContact O-N 3.46Å; R894-C897 VanDerWaalsContact O-N 3.13Å
895E55.3Low69.4Low203 Ų20397.4 Ų97.495%0.94951%0.508SS*.THydrogen-bonded Turntrans-51.3122.4163.2-67.5-173.4148.600110
896G60.4Low69.1Low75 Ų7594.1 Ų94.177%0.77349%0.492SS*.THydrogen-bonded Turntrans86.610179.400000116.6R894 D898R894-G896 PolarHBondContact O-N 3.13Å; G896-D898 PolarHBondContact O-N 3.21Å
897C59.9Low69Low24 Ų2494.6 Ų94.616%0.16249%0.491CS..  trans-94.381.3176-160.90000112.5C891 R894C891-C897 PolarHBondContact SG-O 3.27Å; C891-C897 VanDerWaalsContact SG-O 3.37Å; R894-C897 HydrophobicContact CB-CB 3.57Å; R894-C897 PolarHBondContact O-N 3.46Å; R894-C897 VanDerWaalsContact O-N 3.13Å
898D64.5Low69Low115 Ų11598.2 Ų98.262%0.61551%0.507SS*.  trans-55.8147.2170.6-70.1-29.4000111.7G896 V900 S901 F902G896-D898 PolarHBondContact O-N 3.21Å; D898-V900 PolarHBondContact O-N 2.91Å; D898-V900 VanDerWaalsContact O-N 3.12Å; D898-S901 WeakPolarHBondContact O-CA 3.28Å; D898-S901 VanDerWaalsContact O-CB 3.32Å; D898-S901 WeakPolarHBondContact O-CB 3.45Å; D898-S901 PolarHBondContact O-N 2.76Å; D898-F902 PolarHBondContact O-N 3.09Å; D898-F902 VanDerWaalsContact O-N 3.11Å
899F62.7Low69.2Low128 Ų128101.7 Ų101.756%0.56151%0.513SS*.Hα-helixtrans-52.5-35.9178.2-179.4-107.6000113V887 F902 I903V887-F899 HydrophobicContact CG1-CD2 3.82Å; V887-F899 HydrophobicContact CG1-CE2 3.96Å; F899-F902 PolarHBondContact O-N 2.86Å; F899-I903 HydrophobicContact CD1-CD1 3.86Å; F899-I903 HydrophobicContact CE1-CD1 3.38Å; F899-I903 HydrophobicContact CE1-CG1 4.39Å; F899-I903 HydrophobicContact CE2-CD1 4.48Å; F899-I903 HydrophobicContact CZ-CD1 3.74Å; F899-I903 HydrophobicContact CZ-CG1 4.46Å; F899-I903 PolarHBondContact O-N 3.17Å
900V69.2Low69.1Low110 Ų110102.6 Ų102.667%0.66752%0.517SS*.Hα-helixtrans-63.9-39.3175.3-177.30000111.8D898 I903 K904D898-V900 PolarHBondContact O-N 2.91Å; D898-V900 VanDerWaalsContact O-N 3.12Å; V900-I903 PolarHBondContact O-N 3.24Å; V900-K904 WeakPolarHBondContact O-CB 3.46Å; V900-K904 PolarHBondContact O-N 3.16Å
901S70.4Confident69.3Low61 Ų61108.2 Ų108.243%0.42754%0.538SS..Hα-helixtrans-69.2-36176.5-63.70000111.8D898 Y905D898-S901 WeakPolarHBondContact O-CA 3.28Å; D898-S901 VanDerWaalsContact O-CB 3.32Å; D898-S901 WeakPolarHBondContact O-CB 3.45Å; D898-S901 PolarHBondContact O-N 2.76Å; S901-Y905 WeakPolarHBondContact O-CB 3.34Å; S901-Y905 PolarHBondContact O-N 3.16Å
902F69.5Low69.5Low42 Ų42116 Ų11618%0.18456%0.56CS.*Hα-helixtrans-61.9-53.1171.3178.7-88.1000111V887 T890 D898 F899 K904 Y905 T906V887-F902 HydrophobicContact CB-CD1 4.43Å; V887-F902 HydrophobicContact CB-CE1 4.19Å; V887-F902 HydrophobicContact CB-CZ 4.36Å; V887-F902 HydrophobicContact CG1-CD1 3.73Å; V887-F902 HydrophobicContact CG1-CD2 4.42Å; V887-F902 HydrophobicContact CG1-CE1 3.99Å; V887-F902 HydrophobicContact CG1-CG 3.98Å; V887-F902 HydrophobicContact CG1-CZ 4.44Å; V887-F902 HydrophobicContact CG2-CD1 3.97Å; V887-F902 HydrophobicContact CG2-CE1 3.35Å; V887-F902 HydrophobicContact CG2-CE2 4.47Å; V887-F902 HydrophobicContact CG2-CZ 3.66Å; T890-F902 WeakPolarHBondContact OG1-CE2 3.41Å; D898-F902 PolarHBondContact O-N 3.09Å; D898-F902 VanDerWaalsContact O-N 3.11Å; F899-F902 PolarHBondContact O-N 2.86Å; F902-K904 VanDerWaalsContact C-N 3.29Å; F902-K904 PolarHBondContact O-N 2.75Å; F902-Y905 PolarHBondContact O-N 3.05Å; F902-Y905 VanDerWaalsContact O-N 3.11Å; F902-T906 WeakPolarHBondContact CE1-OG1 3.35Å; F902-T906 PolarHBondContact O-N 3.14Å; F902-T906 PolarHBondContact O-OG1 2.78Å
903I73.4Confident69Low73 Ų73114.7 Ų114.737%0.37456%0.564SS.*Hα-helixtrans-55.4-45.4177.6-72.3175.2000111.1F899 V900 Y905 T906 I907F899-I903 HydrophobicContact CD1-CD1 3.86Å; F899-I903 HydrophobicContact CE1-CD1 3.38Å; F899-I903 HydrophobicContact CE1-CG1 4.39Å; F899-I903 HydrophobicContact CE2-CD1 4.48Å; F899-I903 HydrophobicContact CZ-CD1 3.74Å; F899-I903 HydrophobicContact CZ-CG1 4.46Å; F899-I903 PolarHBondContact O-N 3.17Å; V900-I903 PolarHBondContact O-N 3.24Å; I903-Y905 PolarHBondContact O-N 3.19Å; I903-T906 PolarHBondContact O-N 3.46Å; I903-I907 HydrophobicContact CG2-CD1 3.67Å; I903-I907 HydrophobicContact CG2-CG1 4.4Å; I903-I907 WeakPolarHBondContact O-CG1 3.45Å; I903-I907 PolarHBondContact O-N 3.18Å
904K76Confident69.1Low150 Ų150113.4 Ų113.465%0.65256%0.56SS**Hα-helixtrans-63-40.3179.3-166.3175.1-176.5179.50112.3V900 F902 E908V900-K904 WeakPolarHBondContact O-CB 3.46Å; V900-K904 PolarHBondContact O-N 3.16Å; F902-K904 VanDerWaalsContact C-N 3.29Å; F902-K904 PolarHBondContact O-N 2.75Å; K904-E908 WeakPolarHBondContact O-CB 3.32Å; K904-E908 PolarHBondContact O-N 2.97Å
905Y73.9Confident69.3Low149 Ų149111.1 Ų111.158%0.58456%0.558SS**Hα-helixtrans-66.3-40.6174.8-172.8-89000112S901 F902 I903 E908 F909S901-Y905 WeakPolarHBondContact O-CB 3.34Å; S901-Y905 PolarHBondContact O-N 3.16Å; F902-Y905 PolarHBondContact O-N 3.05Å; F902-Y905 VanDerWaalsContact O-N 3.11Å; I903-Y905 PolarHBondContact O-N 3.19Å; Y905-E908 PolarHBondContact O-N 3.14Å; Y905-F909 WeakPolarHBondContact O-CB 3.46Å; Y905-F909 PolarHBondContact O-N 3.4Å
906T73.1Confident70.1Confident42 Ų42106 Ų10626%0.25854%0.536SS..Hα-helixtrans-65.1-41177.1-560000111.7F902 I903 F909 F910F902-T906 WeakPolarHBondContact CE1-OG1 3.35Å; F902-T906 PolarHBondContact O-N 3.14Å; F902-T906 PolarHBondContact O-OG1 2.78Å; I903-T906 PolarHBondContact O-N 3.46Å; T906-F909 PolarHBondContact O-N 3.09Å; T906-F910 HydrophobicContact CG2-CD2 3.77Å; T906-F910 HydrophobicContact CG2-CE2 3.74Å; T906-F910 VanDerWaalsContact O-CD2 3.3Å; T906-F910 WeakPolarHBondContact O-CD2 3.41Å; T906-F910 PolarHBondContact O-N 3.4Å
907I77.3Confident70.6Confident89 Ų89107.8 Ų107.846%0.45652%0.522SS..Hα-helixtrans-66.4-41.1174.3-66.9167.8000111.4I903 F909 K911I903-I907 HydrophobicContact CG2-CD1 3.67Å; I903-I907 HydrophobicContact CG2-CG1 4.4Å; I903-I907 WeakPolarHBondContact O-CG1 3.45Å; I903-I907 PolarHBondContact O-N 3.18Å; I907-F909 VanDerWaalsContact C-N 3.33Å; I907-K911 HydrophobicContact CG2-CD 4.37Å; I907-K911 WeakPolarHBondContact O-CB 3.42Å; I907-K911 WeakPolarHBondContact O-CG 3.39Å; I907-K911 PolarHBondContact O-N 3.26Å
908E76Confident71.3Confident90 Ų90113.1 Ų113.142%0.42155%0.545SS..Hα-helixtrans-62.4-38.7172.8-85.1-75.2135.400112.2K904 Y905 K911 R912K904-E908 WeakPolarHBondContact O-CB 3.32Å; K904-E908 PolarHBondContact O-N 2.97Å; Y905-E908 PolarHBondContact O-N 3.14Å; E908-K911 PolarHBondContact O-N 3.24Å; E908-R912 WeakPolarHBondContact O-CG 3.43Å; E908-R912 PolarHBondContact O-N 3.25Å; E908-R912 IonicContact OE2-NE 2.7Å; E908-R912 IonicContact OE2-NH2 3.18Å
909F77.4Confident71.8Confident122 Ų122112.9 Ų112.954%0.53554%0.54SS..Hα-helixtrans-64.6-51.5176.6-175.2-93.6000111.2Y905 T906 I907 K911 R912 S913Y905-F909 WeakPolarHBondContact O-CB 3.46Å; Y905-F909 PolarHBondContact O-N 3.4Å; T906-F909 PolarHBondContact O-N 3.09Å; I907-F909 VanDerWaalsContact C-N 3.33Å; F909-K911 PolarHBondContact O-N 3.13Å; F909-R912 PolarHBondContact O-N 3.01Å; F909-S913 PolarHBondContact O-N 2.81Å; F909-S913 VanDerWaalsContact O-N 3.1Å; F909-S913 PolarHBondContact O-OG 3.38Å
910F73.3Confident72.4Confident146 Ų146111.9 Ų111.964%0.6454%0.539SS*.Hα-helixtrans-67.7-11.8176.7-80.5-65.2000114.8T906 S913T906-F910 HydrophobicContact CG2-CD2 3.77Å; T906-F910 HydrophobicContact CG2-CE2 3.74Å; T906-F910 VanDerWaalsContact O-CD2 3.3Å; T906-F910 WeakPolarHBondContact O-CD2 3.41Å; T906-F910 PolarHBondContact O-N 3.4Å; F910-S913 WeakPolarHBondContact CA-OG 3.5Å
911K76.3Confident72.7Confident162 Ų162112 Ų11270%0.70453%0.529SS*.THydrogen-bonded Turntrans-88.5-12.7169-81-177.3175.7-174.10113.8I907 E908 F909I907-K911 HydrophobicContact CG2-CD 4.37Å; I907-K911 WeakPolarHBondContact O-CB 3.42Å; I907-K911 WeakPolarHBondContact O-CG 3.39Å; I907-K911 PolarHBondContact O-N 3.26Å; E908-K911 PolarHBondContact O-N 3.24Å; F909-K911 PolarHBondContact O-N 3.13Å
912R72.7Confident72.9Confident208 Ų208116.3 Ų116.379%0.78554%0.537SS*.THydrogen-bonded Turntrans-105.2-21.9-179.4-73.1180-176.5-150.50.4113.3E908 F909E908-R912 WeakPolarHBondContact O-CG 3.43Å; E908-R912 PolarHBondContact O-N 3.25Å; E908-R912 IonicContact OE2-NE 2.7Å; E908-R912 IonicContact OE2-NH2 3.18Å; F909-R912 PolarHBondContact O-N 3.01Å
913S55.6Low73.2Confident122 Ų122123 Ų12385%0.85357%0.569SS**  trans-83.60165.660.50000111F909 F910F909-S913 PolarHBondContact O-N 2.81Å; F909-S913 VanDerWaalsContact O-N 3.1Å; F909-S913 PolarHBondContact O-OG 3.38Å; F910-S913 WeakPolarHBondContact CA-OG 3.5Å

Retrieved 913 of 913 residues in 303 ms (Link to these results)

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