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Ribokinase

Catalyzes the phosphorylation of ribose at O-5 in a reaction requiring ATP and magnesium. The resulting D-ribose-5-phosphate can then be used either for sythesis of nucleotides, histidine, and tryptophan, or as a component of the pentose phosphate pathway.

AlphaFold DB , UniProt , Accession G4VBK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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
1M49.4Very low84.3Confident155 Ų15551 Ų5176%0.76423%0.233SC*.  0149.80-73.1165.4173.500108.9D84M1-D84 HydrophobicContact CE-CB 4.33Å; M1-D84 WeakPolarHBondContact CE-OD2 3.23Å
2K55.3Low85.5Confident187 Ų18746.8 Ų46.881%0.81321%0.214SC*.PPolyproline II helixtrans-67.5131.5167.8-84-177.2174.9179.70107.7S4 N56K2-S4 PolarHBondContact O-N 2.6Å; K2-N56 PolarHBondContact O-ND2 2.99Å; K2-N56 VanDerWaalsContact O-ND2 3.09Å
3K67.7Low86.4Confident141 Ų14144.2 Ų44.261%0.61320%0.203SC*.PPolyproline II helixtrans-56.9130.8177.4-73.3-170.7174.4-170.80110.2N56K3-N56 VanDerWaalsContact C-ND2 3.3Å; K3-N56 PolarHBondContact O-ND2 2.59Å
4S72.9Confident87.2Confident5 Ų541.1 Ų41.14%0.03519%0.189CC..PPolyproline II helixtrans-67.1146.1172.6-59.60000109.7K2 A58 T136K2-S4 PolarHBondContact O-N 2.6Å; S4-A58 WeakPolarHBondContact OG-CB 3.28Å; S4-T136 WeakPolarHBondContact O-CA 3.12Å; S4-T136 PolarHBondContact O-OG1 3.39Å
5H91.6Very high87.7Confident72 Ų7240.4 Ų40.433%0.33319%0.187SC..SBendtrans-94.3-31.8171.5-64.8166.2000111.3C55 N56 T136 K137 V138 A315H5-C55 VanDerWaalsContact CB-SG 3.59Å; H5-N56 PolarHBondContact N-O 3.3Å; H5-T136 PolarHBondContact O-OG1 3.3Å; H5-K137 WeakPolarHBondContact O-CB 3.37Å; H5-K137 PolarHBondContact O-N 3.47Å; H5-K137 VanDerWaalsContact O-N 3.12Å; H5-V138 PolarHBondContact O-N 3.44Å; H5-V138 VanDerWaalsContact O-N 3.08Å; H5-A315 HydrophobicContact CB-CB 4.12Å; H5-A315 WeakPolarHBondContact O-CB 3.46Å
6V98.6Very high88.2Confident0 Ų039.9 Ų39.90%019%0.186CC..EExtended strand (participates in β ladder)trans-127.3132.4174.6176.60000108.7V8 C55 N56 T57 A58 T136 V138 V140 A311 A315V6-V8 HydrophobicContact CG1-CG2 4.1Å; V6-C55 WeakPolarHBondContact CG2-SG 3.4Å; V6-N56 PolarHBondContact N-O 3.21Å; V6-T57 HydrophobicContact CB-CG2 4.16Å; V6-T57 HydrophobicContact CG1-CG2 4.18Å; V6-T57 VanDerWaalsContact O-CA 3.26Å; V6-T57 WeakPolarHBondContact O-CA 3.39Å; V6-T57 WeakPolarHBondContact O-CG2 3.21Å; V6-A58 PolarHBondContact O-N 2.93Å; V6-T136 WeakPolarHBondContact CA-OG1 3.27Å; V6-T136 PolarHBondContact N-OG1 2.67Å; V6-V138 WeakPolarHBondContact CA-O 3.36Å; V6-V138 HydrophobicContact CG2-CB 4.22Å; V6-V140 HydrophobicContact CG1-CG2 4.08Å; V6-A311 HydrophobicContact CG1-CB 3.95Å; V6-A311 HydrophobicContact CG2-CB 4.14Å; V6-A311 WeakPolarHBondContact CG2-O 3.42Å; V6-A315 HydrophobicContact CG2-CB 3.72Å
7T98.7Very high88.6Confident0 Ų038.8 Ų38.80%018%0.184CC..EExtended strand (participates in β ladder)trans-121.3123.4168.8-60.90000108.9A58 V60 L133 L134 T136 V138 I139 V140T7-A58 WeakPolarHBondContact CA-O 3.01Å; T7-A58 HydrophobicContact CG2-CB 4.24Å; T7-V60 HydrophobicContact CG2-CG2 3.83Å; T7-L133 WeakPolarHBondContact CB-O 3.19Å; T7-L133 PolarHBondContact OG1-O 3.27Å; T7-L134 HydrophobicContact CG2-CD2 3.86Å; T7-T136 PolarHBondContact N-OG1 2.94Å; T7-V138 PolarHBondContact N-O 2.76Å; T7-I139 VanDerWaalsContact O-CA 3.28Å; T7-I139 WeakPolarHBondContact O-CA 3.42Å; T7-V140 PolarHBondContact O-N 3.3Å
8V98.8Very high88.9Confident0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-99.3130.2175-172.70000108V6 G43 C47 A58 L59 V60 V140V6-V8 HydrophobicContact CG1-CG2 4.1Å; V8-G43 WeakPolarHBondContact CG1-O 3.34Å; V8-C47 HydrophobicContact CB-CB 3.95Å; V8-C47 HydrophobicContact CG2-CB 3.71Å; V8-A58 PolarHBondContact N-O 2.92Å; V8-L59 HydrophobicContact CB-CD1 3.96Å; V8-L59 HydrophobicContact CG1-CD1 4.15Å; V8-L59 WeakPolarHBondContact O-CA 3.38Å; V8-V60 PolarHBondContact O-N 3.3Å; V8-V140 WeakPolarHBondContact CA-O 3.43Å; V8-V140 HydrophobicContact CG1-CB 4.26Å; V8-V140 HydrophobicContact CG2-CB 4.1Å; V8-V140 HydrophobicContact CG2-CG2 4.29Å
9V98.7Very high89.2Confident0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-110.2108.6171-171.50000107V60 I125 I139 V140 I145V9-V60 WeakPolarHBondContact CA-O 3.24Å; V9-V60 HydrophobicContact CB-CB 4.47Å; V9-V60 HydrophobicContact CG1-CB 4.25Å; V9-V60 HydrophobicContact CG1-CG1 4.29Å; V9-V60 HydrophobicContact CG2-CB 4.12Å; V9-V60 HydrophobicContact CG2-CG2 4.49Å; V9-I125 HydrophobicContact CG1-CD1 3.37Å; V9-I139 HydrophobicContact CG2-CG2 4.3Å; V9-V140 PolarHBondContact N-O 3.02Å; V9-I145 HydrophobicContact CG1-CD1 3.81Å
10G98.2Very high89.5Confident0 Ų037.3 Ų37.30%018%0.179CC..  trans-175.2-166.4-170.200000115V60G10-V60 PolarHBondContact N-O 2.72Å
11S97.8Very high89.7Confident1 Ų141 Ų411%0.00720%0.2CC..  trans-85.4155.9-170.257.10000113.8G41 K42 G43 A44 N117 E144S11-G41 WeakPolarHBondContact OG-CA 3.34Å; S11-K42 PolarHBondContact OG-N 2.99Å; S11-G43 PolarHBondContact OG-N 2.9Å; S11-A44 PolarHBondContact O-N 2.84Å; S11-N117 WeakPolarHBondContact CA-OD1 3.45Å; S11-E144 WeakPolarHBondContact CB-OE2 3.49Å; S11-E144 WeakPolarHBondContact OG-CB 3.31Å; S11-E144 PolarHBondContact OG-OE2 3.15Å
12L98.3Very high91.7Very high0 Ų037.6 Ų37.60%019%0.185CC..  trans-129.2117.7167.7-59.799.1000108.8L59 V63 F72 L76 I86 N117L12-L59 HydrophobicContact CD1-CD2 4.09Å; L12-L59 HydrophobicContact CD2-CD2 3.67Å; L12-L59 HydrophobicContact CG-CD2 3.85Å; L12-V63 HydrophobicContact CB-CG1 4.13Å; L12-V63 HydrophobicContact CD1-CG1 4.17Å; L12-V63 HydrophobicContact CD2-CG1 4Å; L12-V63 HydrophobicContact CG-CG1 4.34Å; L12-F72 HydrophobicContact CB-CD2 3.92Å; L12-F72 HydrophobicContact CB-CE2 3.75Å; L12-F72 HydrophobicContact CB-CG 4.47Å; L12-F72 HydrophobicContact CB-CZ 4.18Å; L12-F72 HydrophobicContact CD2-CD1 3.85Å; L12-F72 HydrophobicContact CD2-CD2 4.28Å; L12-F72 HydrophobicContact CD2-CE1 4.05Å; L12-F72 HydrophobicContact CD2-CE2 4.43Å; L12-F72 HydrophobicContact CD2-CG 3.99Å; L12-F72 HydrophobicContact CD2-CZ 4.34Å; L12-L76 HydrophobicContact CD2-CD1 3.73Å; L12-I86 HydrophobicContact CD2-CD1 4.04Å; L12-N117 PolarHBondContact N-OD1 3.44Å; L12-N117 PolarHBondContact O-ND2 3.28Å; L12-N117 PolarHBondContact O-OD1 3.13Å
13N96.8Very high93.4Very high13 Ų1330.6 Ų30.67%0.0716%0.155CC..EExtended strand (participates in β ladder)trans-122.5131.4175.6-80.423.9000112.1G40 F72 G95 N117N13-G40 PolarHBondContact N-O 2.98Å; N13-G40 CarbonylContact O-C 3.56Å; N13-G40 WeakPolarHBondContact O-CA 2.94Å; N13-G40 PolarHBondContact O-N 3.11Å; N13-F72 VanDerWaalsContact O-CE2 3.28Å; N13-F72 WeakPolarHBondContact O-CE2 3.47Å; N13-G95 CarbonylContact C-O 3.55Å; N13-G95 WeakPolarHBondContact CA-O 3.35Å; N13-N117 PolarHBondContact OD1-ND2 3.1Å
14V97.6Very high94.6Very high2 Ų226 Ų261%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-89.4121.1167.6-178.10000109.2L16 L37 G38 F68 F72 T94 G95 V96 A97V14-L16 HydrophobicContact CG1-CD2 3.91Å; V14-L37 HydrophobicContact CG1-CD2 4.19Å; V14-G38 WeakPolarHBondContact CA-O 3.39Å; V14-F68 HydrophobicContact CB-CD1 4.4Å; V14-F68 HydrophobicContact CG1-CD1 3.97Å; V14-F68 HydrophobicContact CG1-CE1 4.29Å; V14-F68 HydrophobicContact CG2-CB 3.93Å; V14-F68 HydrophobicContact CG2-CD1 4.38Å; V14-F68 HydrophobicContact CG2-CG 4.36Å; V14-F72 HydrophobicContact CG2-CD2 3.8Å; V14-F72 HydrophobicContact CG2-CE2 4.43Å; V14-T94 HydrophobicContact CG2-CG2 4.35Å; V14-G95 PolarHBondContact N-O 3.01Å; V14-V96 HydrophobicContact CB-CG1 4.38Å; V14-V96 CarbonylContact O-C 3.44Å; V14-V96 VanDerWaalsContact O-CA 3.23Å; V14-V96 WeakPolarHBondContact O-CA 3.46Å; V14-A97 PolarHBondContact O-N 3.19Å
15D94.9Very high95.5Very high30 Ų3033.7 Ų33.716%0.1617%0.173CC..EExtended strand (participates in β ladder)trans-87.3115-179.5-64.8-20.8000109.3L37 G38 I99D15-L37 CarbonylContact O-C 3.57Å; D15-L37 WeakPolarHBondContact O-CA 3.48Å; D15-G38 PolarHBondContact N-O 3.18Å; D15-G38 PolarHBondContact O-N 3.29Å; D15-I99 HydrophobicContact CB-CD1 3.86Å
16L96.1Very high95.6Very high33 Ų3338 Ų3817%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-98.187.4179.3-50.3-178.5000108.6V14 F35 L37 F68 V96 A97 I99V14-L16 HydrophobicContact CG1-CD2 3.91Å; L16-F35 HydrophobicContact CB-CE2 4.16Å; L16-F35 HydrophobicContact CB-CZ 4.45Å; L16-F35 HydrophobicContact CD2-CZ 4.32Å; L16-L37 HydrophobicContact CD2-CD2 3.24Å; L16-F68 HydrophobicContact CD2-CE1 4.03Å; L16-F68 HydrophobicContact CD2-CZ 3.84Å; L16-V96 HydrophobicContact CD1-CB 4.29Å; L16-V96 HydrophobicContact CD1-CG1 4.43Å; L16-A97 PolarHBondContact N-O 3.07Å; L16-I99 PolarHBondContact O-N 3Å
17S94.2Very high95.4Very high21 Ų2142 Ų4215%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-94116-174-62.30000112.1F35 L36 I99S17-F35 CarbonylContact O-C 3.56Å; S17-F35 WeakPolarHBondContact O-CA 3.22Å; S17-F35 WeakPolarHBondContact O-CD2 3.09Å; S17-L36 PolarHBondContact N-O 3.15Å; S17-L36 PolarHBondContact O-N 3.26Å; S17-I99 CarbonylContact C-O 3.59Å; S17-I99 WeakPolarHBondContact CA-O 3.44Å
18V95.2Very high95.2Very high49 Ų4945.9 Ų45.930%0.29726%0.263SS..EExtended strand (participates in β ladder)trans-106.1123.4173.4-175.80000108.8T20 F35 I99 T100 V101V18-T20 HydrophobicContact CG1-CG2 4.05Å; V18-F35 HydrophobicContact CG2-CD2 3.83Å; V18-F35 HydrophobicContact CG2-CE2 4.28Å; V18-I99 PolarHBondContact N-O 3.39Å; V18-T100 CarbonylContact O-C 3.52Å; V18-T100 WeakPolarHBondContact O-CA 3.45Å; V18-V101 PolarHBondContact O-N 3.45Å
19F94.7Very high95.1Very high32 Ų3252.6 Ų52.614%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-96.2133.1176.2-63-95.6000109.5G32 S33 N34 L36 V101F19-G32 CarbonylContact O-C 3.45Å; F19-G32 VanDerWaalsContact O-CA 3.25Å; F19-G32 WeakPolarHBondContact O-CA 3.41Å; F19-S33 PolarHBondContact O-N 3.31Å; F19-S33 PolarHBondContact O-OG 2.77Å; F19-S33 VanDerWaalsContact O-OG 3.14Å; F19-N34 HydrophobicContact CB-CB 4.13Å; F19-N34 HydrophobicContact CD2-CB 4Å; F19-N34 HydrophobicContact CG-CB 4.36Å; F19-N34 PolarHBondContact N-O 3.33Å; F19-L36 HydrophobicContact CE2-CB 4.31Å; F19-L36 HydrophobicContact CE2-CD1 3.67Å; F19-L36 HydrophobicContact CE2-CG 3.94Å; F19-L36 HydrophobicContact CZ-CD1 4.1Å; F19-V101 WeakPolarHBondContact CA-O 3.43Å; F19-V101 HydrophobicContact CD1-CB 3.75Å; F19-V101 HydrophobicContact CD1-CG1 3.97Å; F19-V101 HydrophobicContact CD1-CG2 4.44Å; F19-V101 HydrophobicContact CE1-CB 3.84Å; F19-V101 HydrophobicContact CE1-CG1 3.88Å; F19-V101 HydrophobicContact CE1-CG2 4.11Å; F19-V101 HydrophobicContact CG-CB 4.47Å; F19-V101 HydrophobicContact CZ-CG2 4.47Å
20T94.4Very high94.8Very high4 Ų454.3 Ų54.33%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-137.2157.7-179.967.90000109.7V18 I22 V30 T100 V101 E102 T103V18-T20 HydrophobicContact CG1-CG2 4.05Å; T20-I22 VanDerWaalsContact C-N 3.3Å; T20-I22 VanDerWaalsContact CB-O 3.27Å; T20-I22 WeakPolarHBondContact CB-O 3.4Å; T20-I22 VanDerWaalsContact OG1-C 3.32Å; T20-I22 PolarHBondContact OG1-O 3.2Å; T20-V30 HydrophobicContact CG2-CG2 4.1Å; T20-T100 HydrophobicContact CG2-CG2 4.25Å; T20-V101 PolarHBondContact N-O 3.41Å; T20-E102 CarbonylContact O-C 3.53Å; T20-E102 WeakPolarHBondContact O-CA 3.29Å; T20-T103 WeakPolarHBondContact O-CB 3.3Å; T20-T103 PolarHBondContact O-N 3.01Å; T20-T103 PolarHBondContact O-OG1 3.36Å
21N93.6Very high94.7Very high116 Ų11660.7 Ų60.762%0.6235%0.354SS*.SBendtrans-76.9-21.6174.5-69.4-21.6000112.8
22I92.2Very high94.5Very high84 Ų8462.6 Ų62.643%0.43137%0.373SS..SBendtrans-141.8143.4177.353.4166.5000108.7T20 V30T20-I22 VanDerWaalsContact C-N 3.3Å; T20-I22 VanDerWaalsContact CB-O 3.27Å; T20-I22 WeakPolarHBondContact CB-O 3.4Å; T20-I22 VanDerWaalsContact OG1-C 3.32Å; T20-I22 PolarHBondContact OG1-O 3.2Å; I22-V30 HydrophobicContact CD1-CG1 3.8Å; I22-V30 HydrophobicContact CG1-CG1 3.97Å
23I91.3Very high94.3Very high39 Ų3966 Ų6620%0.240%0.398CS..PPolyproline II helixtrans-76.8124.9171.1-59.9-177.2000108.4T100 E102 Q109I23-T100 HydrophobicContact CG1-CG2 4.46Å; I23-E102 HydrophobicContact CD1-CB 4.2Å; I23-E102 HydrophobicContact CG1-CB 3.93Å; I23-Q109 HydrophobicContact CD1-CG 4.3Å; I23-Q109 HydrophobicContact CG2-CG 4.13Å
24P91.2Very high94.2Very high46 Ų4669.4 Ų69.430%0.29942%0.416SS..PPolyproline II helixtrans-63.8139.9-176.225.3-32.4000111.6E28 V30P24-E28 HydrophobicContact CB-CB 4.36Å; P24-V30 HydrophobicContact CB-CG1 3.95Å; P24-V30 HydrophobicContact CB-CG2 3.89Å; P24-V30 HydrophobicContact CG-CG2 4Å
25K93.1Very high94Very high166 Ų16674.4 Ų74.472%0.72244%0.438SS*.PPolyproline II helixtrans-80.4167.1168.9-64.2175-174.6171.80110.8G27 E28K25-G27 PolarHBondContact O-N 2.74Å; K25-G27 VanDerWaalsContact O-N 3.16Å; K25-E28 HydrophobicContact CB-CB 4.42Å; K25-E28 PolarHBondContact N-OE2 2.77Å; K25-E28 VanDerWaalsContact O-CB 3.29Å; K25-E28 WeakPolarHBondContact O-CB 3.28Å; K25-E28 PolarHBondContact O-N 2.8Å
26V93.9Very high93.9Very high161 Ų16176.8 Ų76.898%0.97645%0.45SS*.THydrogen-bonded Turntrans-54.9122.3174.9179.10000110E28V26-E28 VanDerWaalsContact C-N 3.34Å
27G93.8Very high93.8Very high84 Ų8478.8 Ų78.887%0.86646%0.46SS*.THydrogen-bonded Turntrans85.5-4.2-179.100000115.3K25K25-G27 PolarHBondContact O-N 2.74Å; K25-G27 VanDerWaalsContact O-N 3.16Å
28E94.6Very high93.8Very high83 Ų8378.9 Ų78.939%0.38847%0.465SS..  trans-86.9146.6178.2-167.1175.9-16400111.5P24 K25 V26 V30P24-E28 HydrophobicContact CB-CB 4.36Å; K25-E28 HydrophobicContact CB-CB 4.42Å; K25-E28 PolarHBondContact N-OE2 2.77Å; K25-E28 VanDerWaalsContact O-CB 3.29Å; K25-E28 WeakPolarHBondContact O-CB 3.28Å; K25-E28 PolarHBondContact O-N 2.8Å; V26-E28 VanDerWaalsContact C-N 3.34Å; E28-V30 HydrophobicContact CG-CG1 3.94Å
29T95.9Very high93.8Very high140 Ų14079.3 Ų79.386%0.85946%0.462SS*.  trans-116.3122.8168.3-61.50000108.5
30V93.9Very high93.9Very high37 Ų3777.9 Ų77.922%0.22446%0.455CS..  trans-118.1150.6178.8-57.60000110.1T20 I22 P24 E28T20-V30 HydrophobicContact CG2-CG2 4.1Å; I22-V30 HydrophobicContact CD1-CG1 3.8Å; I22-V30 HydrophobicContact CG1-CG1 3.97Å; P24-V30 HydrophobicContact CB-CG1 3.95Å; P24-V30 HydrophobicContact CB-CG2 3.89Å; P24-V30 HydrophobicContact CG-CG2 4Å; E28-V30 HydrophobicContact CG-CG1 3.94Å
31T94.9Very high93.9Very high134 Ų13478.1 Ų78.182%0.82246%0.459SS*.  trans-85.1127.4173.7-59.40000109.7
32G94.3Very high94.1Very high40 Ų4075 Ų7541%0.41244%0.44SS..EExtended strand (participates in β ladder)trans-76.1147.1171.800000112.3F19F19-G32 CarbonylContact O-C 3.45Å; F19-G32 VanDerWaalsContact O-CA 3.25Å; F19-G32 WeakPolarHBondContact O-CA 3.41Å
33S93.6Very high94.4Very high73 Ų7371 Ų7151%0.5142%0.419SS..EExtended strand (participates in β ladder)trans-89.3-27.517658.30000112.6F19F19-S33 PolarHBondContact O-N 3.31Å; F19-S33 PolarHBondContact O-OG 2.77Å; F19-S33 VanDerWaalsContact O-OG 3.14Å
34N93.8Very high94.7Very high83 Ų8369.1 Ų69.144%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-158.5157.2-179.3-164.414.5000111.9F19F19-N34 HydrophobicContact CB-CB 4.13Å; F19-N34 HydrophobicContact CD2-CB 4Å; F19-N34 HydrophobicContact CG-CB 4.36Å; F19-N34 PolarHBondContact N-O 3.33Å
35F95Very high95Very high108 Ų10867.3 Ų67.347%0.47440%0.398SS..EExtended strand (participates in β ladder)trans-133.6128.9172.5176.4-105.1000110.1L16 S17 V18 L37L16-F35 HydrophobicContact CB-CE2 4.16Å; L16-F35 HydrophobicContact CB-CZ 4.45Å; L16-F35 HydrophobicContact CD2-CZ 4.32Å; S17-F35 CarbonylContact O-C 3.56Å; S17-F35 WeakPolarHBondContact O-CA 3.22Å; S17-F35 WeakPolarHBondContact O-CD2 3.09Å; V18-F35 HydrophobicContact CG2-CD2 3.83Å; V18-F35 HydrophobicContact CG2-CE2 4.28Å; F35-L37 HydrophobicContact CE1-CD2 3.74Å; F35-L37 HydrophobicContact CE1-CG 3.85Å; F35-L37 HydrophobicContact CZ-CD2 3.54Å; F35-L37 HydrophobicContact CZ-CG 4.18Å
36L92.9Very high95.3Very high80 Ų8059.4 Ų59.442%0.41936%0.363SS..EExtended strand (participates in β ladder)trans-128.7137.1178.5-61.9178.4000110.6S17 F19S17-L36 PolarHBondContact N-O 3.15Å; S17-L36 PolarHBondContact O-N 3.26Å; F19-L36 HydrophobicContact CE2-CB 4.31Å; F19-L36 HydrophobicContact CE2-CD1 3.67Å; F19-L36 HydrophobicContact CE2-CG 3.94Å; F19-L36 HydrophobicContact CZ-CD1 4.1Å
37L93.9Very high95.5Very high74 Ų7451.8 Ų51.839%0.38732%0.317SS..EExtended strand (participates in β ladder)trans-93.1128.9165.9-65.5176.7000109.1V14 D15 L16 F35 F68 M71V14-L37 HydrophobicContact CG1-CD2 4.19Å; D15-L37 CarbonylContact O-C 3.57Å; D15-L37 WeakPolarHBondContact O-CA 3.48Å; L16-L37 HydrophobicContact CD2-CD2 3.24Å; F35-L37 HydrophobicContact CE1-CD2 3.74Å; F35-L37 HydrophobicContact CE1-CG 3.85Å; F35-L37 HydrophobicContact CZ-CD2 3.54Å; F35-L37 HydrophobicContact CZ-CG 4.18Å; L37-F68 HydrophobicContact CD2-CE1 4.15Å; L37-M71 HydrophobicContact CD1-CE 4.19Å
38G93.5Very high95.8Very high24 Ų2447.8 Ų47.825%0.24728%0.276CS..EExtended strand (participates in β ladder)trans-120.8161.4173.600000112V14 D15V14-G38 WeakPolarHBondContact CA-O 3.39Å; D15-G38 PolarHBondContact N-O 3.18Å; D15-G38 PolarHBondContact O-N 3.29Å
39Y96.3Very high95.9Very high58 Ų5843.9 Ų43.923%0.22726%0.258CS..EExtended strand (participates in β ladder)trans-109.1121.8172.2-57.6-75.2000108.9M71 F72 H75 Q343Y39-M71 WeakPolarHBondContact OH-CE 3.28Å; Y39-F72 HydrophobicContact CD1-CB 4.41Å; Y39-F72 AromaticContact CD1-CD1 3.86Å; Y39-F72 HydrophobicContact CD1-CD1 3.86Å; Y39-F72 AromaticContact CD1-CD2 3.93Å; Y39-F72 HydrophobicContact CD1-CD2 3.93Å; Y39-F72 HydrophobicContact CD1-CE1 4.02Å; Y39-F72 HydrophobicContact CD1-CE2 4.08Å; Y39-F72 AromaticContact CD1-CG 3.81Å; Y39-F72 HydrophobicContact CD1-CG 3.81Å; Y39-F72 HydrophobicContact CD1-CZ 4.12Å; Y39-F72 HydrophobicContact CE1-CB 4.38Å; Y39-F72 HydrophobicContact CE1-CD1 4.47Å; Y39-F72 HydrophobicContact CE1-CG 4.26Å; Y39-F72 HydrophobicContact CG-CE1 4.37Å; Y39-F72 HydrophobicContact CG-CZ 4.44Å; Y39-H75 HydrophobicContact CD1-CB 4.39Å; Y39-H75 AromaticContact CD1-CD2 3.95Å; Y39-H75 HydrophobicContact CD2-CB 4.33Å; Y39-H75 AromaticContact CD2-CD2 3.43Å; Y39-H75 VanDerWaalsContact CD2-CD2 3.43Å; Y39-H75 WeakPolarHBondContact CD2-CD2 3.48Å; Y39-H75 AromaticContact CD2-CE1 3.64Å; Y39-H75 AromaticContact CD2-CG 3.58Å; Y39-H75 AromaticContact CD2-ND1 3.74Å; Y39-H75 AromaticContact CD2-NE2 3.47Å; Y39-H75 WeakPolarHBondContact CD2-NE2 3.34Å; Y39-H75 HydrophobicContact CE1-CB 3.9Å; Y39-H75 HydrophobicContact CE2-CB 3.82Å; Y39-H75 AromaticContact CE2-CD2 3.81Å; Y39-H75 AromaticContact CE2-CE1 3.92Å; Y39-H75 AromaticContact CE2-CG 3.44Å; Y39-H75 VanDerWaalsContact CE2-CG 3.44Å; Y39-H75 AromaticContact CE2-ND1 3.54Å; Y39-H75 AromaticContact CG-CD2 3.5Å; Y39-H75 AromaticContact CG-CG 3.99Å; Y39-H75 AromaticContact CG-NE2 3.8Å; Y39-H75 AromaticContact CZ-CG 3.74Å; Y39-Q343 PolarHBondContact O-NE2 3.23Å
40G95.3Very high96.1Very high1 Ų137.2 Ų37.21%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-137-160-177.300000112.1N13 F72N13-G40 PolarHBondContact N-O 2.98Å; N13-G40 CarbonylContact O-C 3.56Å; N13-G40 WeakPolarHBondContact O-CA 2.94Å; N13-G40 PolarHBondContact O-N 3.11Å; G40-F72 WeakPolarHBondContact O-CZ 3.23Å
41G95.3Very high96.3Very high10 Ų1038.9 Ų38.910%0.10322%0.219CC..  trans88.3125.8-166.300000110.4S11 G43 A44 N45S11-G41 WeakPolarHBondContact OG-CA 3.34Å; G41-G43 PolarHBondContact O-N 3.49Å; G41-A44 PolarHBondContact O-N 2.98Å; G41-A44 VanDerWaalsContact O-N 3.17Å; G41-N45 WeakPolarHBondContact O-CB 3.38Å; G41-N45 PolarHBondContact O-N 3.41Å; G41-N45 PolarHBondContact O-ND2 3.31Å; G41-N45 PolarHBondContact O-OD1 3.22Å
42K96.9Very high96.4Very high49 Ų4933.4 Ų33.421%0.21319%0.186CC..Hα-helixtrans-58.7-39.6-173.3-65.4175.7-173.3-69.60111.6S11 N45 Q46 Q142 E144 A169S11-K42 PolarHBondContact OG-N 2.99Å; K42-N45 PolarHBondContact O-N 3.3Å; K42-Q46 WeakPolarHBondContact O-CB 3.47Å; K42-Q46 WeakPolarHBondContact O-CG 3.41Å; K42-Q46 PolarHBondContact O-N 3.24Å; K42-Q142 HydrophobicContact CB-CB 4.37Å; K42-Q142 HydrophobicContact CB-CG 3.91Å; K42-E144 WeakPolarHBondContact CB-OE2 3.44Å; K42-E144 HydrophobicContact CD-CG 4.14Å; K42-E144 WeakPolarHBondContact CD-OE1 3.42Å; K42-E144 VanDerWaalsContact CE-OE1 3.24Å; K42-E144 WeakPolarHBondContact CE-OE1 3.32Å; K42-E144 WeakPolarHBondContact CG-OE1 3.45Å; K42-E144 PolarHBondContact N-OE2 3.33Å; K42-A169 HydrophobicContact CD-CB 3.54Å; K42-A169 VanDerWaalsContact CE-CB 3.48Å
43G98Very high96.6Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-59.2-52.8175.800000112.3V8 S11 G41 N45 Q46 C47V8-G43 WeakPolarHBondContact CG1-O 3.34Å; S11-G43 PolarHBondContact OG-N 2.9Å; G41-G43 PolarHBondContact O-N 3.49Å; G43-N45 VanDerWaalsContact C-N 3.34Å; G43-N45 PolarHBondContact O-N 2.98Å; G43-Q46 PolarHBondContact O-N 3.22Å; G43-C47 WeakPolarHBondContact O-CB 3.45Å; G43-C47 PolarHBondContact O-N 3.11Å
44A98.5Very high96.7Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-60.2-42.8176.200000112.3S11 G41 C47 V48 L59 F72S11-A44 PolarHBondContact O-N 2.84Å; G41-A44 PolarHBondContact O-N 2.98Å; G41-A44 VanDerWaalsContact O-N 3.17Å; A44-C47 WeakPolarHBondContact O-CB 3.45Å; A44-C47 PolarHBondContact O-N 3.45Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.34Å; A44-L59 HydrophobicContact CB-CD2 4.35Å; A44-F72 HydrophobicContact CB-CE1 3.94Å; A44-F72 HydrophobicContact CB-CZ 3.65Å
45N98.5Very high96.8Very high9 Ų926.5 Ų26.55%0.04815%0.145CC..Hα-helixtrans-62-49.2179.3-64.3-18.5000112.1G41 K42 G43 C47 V48 A49 D304 T342 Q343 Y346G41-N45 WeakPolarHBondContact O-CB 3.38Å; G41-N45 PolarHBondContact O-N 3.41Å; G41-N45 PolarHBondContact O-ND2 3.31Å; G41-N45 PolarHBondContact O-OD1 3.22Å; K42-N45 PolarHBondContact O-N 3.3Å; G43-N45 VanDerWaalsContact C-N 3.34Å; G43-N45 PolarHBondContact O-N 2.98Å; N45-C47 VanDerWaalsContact C-N 3.28Å; N45-C47 PolarHBondContact O-N 2.83Å; N45-V48 PolarHBondContact O-N 3.29Å; N45-A49 WeakPolarHBondContact O-CB 3.48Å; N45-A49 PolarHBondContact O-N 3.06Å; N45-D304 HydrophobicContact CB-CB 3.57Å; N45-D304 PolarHBondContact ND2-OD2 3Å; N45-T342 HydrophobicContact CB-CG2 4.3Å; N45-T342 VanDerWaalsContact CG-CG2 3.48Å; N45-T342 VanDerWaalsContact ND2-CG2 3.32Å; N45-T342 WeakPolarHBondContact ND2-CG2 3.44Å; N45-Q343 WeakPolarHBondContact OD1-CG 3.4Å; N45-Q343 PolarHBondContact OD1-NE2 3.38Å; N45-Y346 HydrophobicContact CB-CE2 4.36Å; N45-Y346 WeakPolarHBondContact O-CE2 3.43Å
46Q98.8Very high96.8Very high0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-64.7-35.3178.9-67.2169.126.300111.6K42 G43 S50 V140 N167 D304 V307 G308K42-Q46 WeakPolarHBondContact O-CB 3.47Å; K42-Q46 WeakPolarHBondContact O-CG 3.41Å; K42-Q46 PolarHBondContact O-N 3.24Å; G43-Q46 PolarHBondContact O-N 3.22Å; Q46-S50 PolarHBondContact O-N 2.61Å; Q46-S50 VanDerWaalsContact O-N 3.08Å; Q46-S50 PolarHBondContact O-OG 3.09Å; Q46-V140 VanDerWaalsContact OE1-CG1 3.25Å; Q46-N167 PolarHBondContact NE2-OD1 3.18Å; Q46-D304 HydrophobicContact CG-CB 3.85Å; Q46-D304 WeakPolarHBondContact CG-O 3.41Å; Q46-D304 PolarHBondContact NE2-OD1 3.14Å; Q46-V307 HydrophobicContact CG-CB 4.04Å; Q46-V307 HydrophobicContact CG-CG1 4.12Å; Q46-V307 VanDerWaalsContact OE1-CG1 3.29Å; Q46-G308 VanDerWaalsContact O-CA 3.32Å; Q46-G308 WeakPolarHBondContact O-CA 3.48Å
47C98.5Very high97.1Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-63.8-48.6173.9-1710000111.5V8 G43 A44 N45 S50 R51 T57 L59 V81V8-C47 HydrophobicContact CB-CB 3.95Å; V8-C47 HydrophobicContact CG2-CB 3.71Å; G43-C47 WeakPolarHBondContact O-CB 3.45Å; G43-C47 PolarHBondContact O-N 3.11Å; A44-C47 WeakPolarHBondContact O-CB 3.45Å; A44-C47 PolarHBondContact O-N 3.45Å; N45-C47 VanDerWaalsContact C-N 3.28Å; N45-C47 PolarHBondContact O-N 2.83Å; C47-S50 PolarHBondContact O-N 2.94Å; C47-R51 WeakPolarHBondContact O-CB 3.47Å; C47-R51 PolarHBondContact O-N 2.8Å; C47-T57 HydrophobicContact CB-CG2 4.4Å; C47-T57 WeakPolarHBondContact SG-CG2 3.43Å; C47-L59 HydrophobicContact CB-CD1 4.15Å; C47-V81 VanDerWaalsContact SG-CG1 3.52Å
48V98.6Very high97.3Very high1 Ų115.9 Ų15.91%0.0069%0.094CC..Hα-helixtrans-65.2-43.7178171.60000111.2A44 N45 S50 R51 V52 L76 L79 Q343 Y346A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.34Å; N45-V48 PolarHBondContact O-N 3.29Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 2.77Å; V48-R51 PolarHBondContact O-N 3.45Å; V48-V52 HydrophobicContact CG1-CG1 3.98Å; V48-V52 WeakPolarHBondContact O-CG1 3.43Å; V48-V52 WeakPolarHBondContact O-CG2 3.3Å; V48-V52 PolarHBondContact O-N 3.12Å; V48-L76 HydrophobicContact CG2-CD2 3.78Å; V48-L79 HydrophobicContact CB-CD1 4.45Å; V48-L79 HydrophobicContact CG1-CD1 3.8Å; V48-L79 HydrophobicContact CG2-CD1 3.72Å; V48-Q343 HydrophobicContact CB-CG 4.31Å; V48-Q343 HydrophobicContact CG1-CB 4.23Å; V48-Q343 HydrophobicContact CG1-CG 4.32Å; V48-Q343 HydrophobicContact CG2-CG 4.44Å; V48-Y346 HydrophobicContact CG1-CD2 4.15Å
49A98.6Very high97.5Very high1 Ų114.7 Ų14.71%0.0088%0.082CC..Hα-helixtrans-56.2-43.1175.700000111.9N45 V52 L53 Y346N45-A49 WeakPolarHBondContact O-CB 3.48Å; N45-A49 PolarHBondContact O-N 3.06Å; A49-V52 WeakPolarHBondContact O-CG2 3.25Å; A49-L53 WeakPolarHBondContact O-CG 3.3Å; A49-Y346 HydrophobicContact CB-CD2 3.87Å; A49-Y346 HydrophobicContact CB-CE2 3.86Å
50S98.6Very high97.7Very high0 Ų012 Ų120%07%0.071CC..Hα-helixtrans-63.1-44.8173-55.20000111.6Q46 C47 V48 L53 C55 G308Q46-S50 PolarHBondContact O-N 2.61Å; Q46-S50 VanDerWaalsContact O-N 3.08Å; Q46-S50 PolarHBondContact O-OG 3.09Å; C47-S50 PolarHBondContact O-N 2.94Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 2.77Å; S50-L53 PolarHBondContact O-N 2.87Å; S50-C55 WeakPolarHBondContact O-CB 3.2Å; S50-C55 PolarHBondContact O-N 3.2Å; S50-G308 PolarHBondContact OG-O 3.46Å
51R98.3Very high97.8Very high71 Ų7111.9 Ų11.927%0.2687%0.071SC..Hα-helixtrans-66.6-43.7-173.2176.857.3-170.1150.2-0.4112.7C47 V48 L53 G54 C55 L79 G80 V81C47-R51 WeakPolarHBondContact O-CB 3.47Å; C47-R51 PolarHBondContact O-N 2.8Å; V48-R51 PolarHBondContact O-N 3.45Å; R51-L53 PolarHBondContact O-N 2.93Å; R51-G54 PolarHBondContact O-N 2.89Å; R51-C55 WeakPolarHBondContact CD-O 3.29Å; R51-C55 PolarHBondContact NH1-O 3.38Å; R51-L79 VanDerWaalsContact CG-O 3.28Å; R51-L79 WeakPolarHBondContact CG-O 3.41Å; R51-L79 PolarHBondContact NE-O 3.08Å; R51-G80 PolarHBondContact NE-O 2.85Å; R51-V81 HydrophobicContact CB-CG2 3.85Å; R51-V81 HydrophobicContact CG-CG2 3.74Å
52V97.8Very high98Very high20 Ų2012.7 Ų12.712%0.1217%0.071CC..Hα-helixtrans-66.7-23-177-62.20000112.9V48 A49 G54 L347 K348 R349V48-V52 HydrophobicContact CG1-CG1 3.98Å; V48-V52 WeakPolarHBondContact O-CG1 3.43Å; V48-V52 WeakPolarHBondContact O-CG2 3.3Å; V48-V52 PolarHBondContact O-N 3.12Å; A49-V52 WeakPolarHBondContact O-CG2 3.25Å; V52-G54 PolarHBondContact O-N 3.22Å; V52-L347 WeakPolarHBondContact CG2-O 3.45Å; V52-K348 HydrophobicContact CB-CG 4.25Å; V52-K348 WeakPolarHBondContact O-CA 3.17Å; V52-R349 PolarHBondContact O-N 2.91Å
53L97.9Very high98.1Very high1 Ų110.4 Ų10.41%0.0056%0.061CC..THydrogen-bonded Turntrans-76-4.2172-61.8177.6000113.6A49 S50 R51 Y312 V332 L352 F357A49-L53 WeakPolarHBondContact O-CG 3.3Å; S50-L53 PolarHBondContact O-N 2.87Å; R51-L53 PolarHBondContact O-N 2.93Å; L53-Y312 HydrophobicContact CB-CD1 3.82Å; L53-Y312 HydrophobicContact CB-CD2 4.06Å; L53-Y312 HydrophobicContact CB-CE1 3.9Å; L53-Y312 HydrophobicContact CB-CE2 4.12Å; L53-Y312 HydrophobicContact CB-CG 3.87Å; L53-Y312 HydrophobicContact CD1-CD1 3.51Å; L53-Y312 HydrophobicContact CD1-CE1 4.14Å; L53-Y312 HydrophobicContact CD1-CG 3.91Å; L53-Y312 HydrophobicContact CG-CD1 4.3Å; L53-Y312 PolarHBondContact O-OH 2.8Å; L53-V332 HydrophobicContact CD1-CG1 4.44Å; L53-V332 HydrophobicContact CD2-CG1 4.21Å; L53-V332 HydrophobicContact CD2-CG2 4.39Å; L53-L352 HydrophobicContact CD2-CD1 3.36Å; L53-F357 HydrophobicContact CD2-CE1 4.27Å; L53-F357 HydrophobicContact CD2-CZ 4.17Å
54G95.9Very high98.1Very high49 Ų4910.4 Ų10.451%0.5056%0.061SC..THydrogen-bonded Turntrans103.15.3177.300000114.6R51 V52R51-G54 PolarHBondContact O-N 2.89Å; V52-G54 PolarHBondContact O-N 3.22Å
55C95Very high98Very high0 Ų015.7 Ų15.70%09%0.09CC..  trans-65.8145.8176.5-154.80000111.7H5 V6 S50 R51 T57 Y312 C316H5-C55 VanDerWaalsContact CB-SG 3.59Å; V6-C55 WeakPolarHBondContact CG2-SG 3.4Å; S50-C55 WeakPolarHBondContact O-CB 3.2Å; S50-C55 PolarHBondContact O-N 3.2Å; R51-C55 WeakPolarHBondContact CD-O 3.29Å; R51-C55 PolarHBondContact NH1-O 3.38Å; C55-T57 PolarHBondContact O-N 3.42Å; C55-Y312 HydrophobicContact CB-CD2 3.7Å; C55-Y312 HydrophobicContact CB-CE2 4.45Å; C55-C316 VanDerWaalsContact SG-SG 3.64Å
56N96.6Very high98Very high39 Ų3917.4 Ų17.421%0.20910%0.099CC..  trans-81.4114.1163-171.122.4000108.3K2 K3 H5 V6K2-N56 PolarHBondContact O-ND2 2.99Å; K2-N56 VanDerWaalsContact O-ND2 3.09Å; K3-N56 VanDerWaalsContact C-ND2 3.3Å; K3-N56 PolarHBondContact O-ND2 2.59Å; H5-N56 PolarHBondContact N-O 3.3Å; V6-N56 PolarHBondContact N-O 3.21Å
57T98.2Very high97.9Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-126.3139.2-168.6-47.50000111.4V6 C47 C55 S82V6-T57 HydrophobicContact CB-CG2 4.16Å; V6-T57 HydrophobicContact CG1-CG2 4.18Å; V6-T57 VanDerWaalsContact O-CA 3.26Å; V6-T57 WeakPolarHBondContact O-CA 3.39Å; V6-T57 WeakPolarHBondContact O-CG2 3.21Å; C47-T57 HydrophobicContact CB-CG2 4.4Å; C47-T57 WeakPolarHBondContact SG-CG2 3.43Å; C55-T57 PolarHBondContact O-N 3.42Å; T57-S82 PolarHBondContact O-N 2.91Å
58A98.3Very high97.9Very high0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-114.9148.4168.800000111.2S4 V6 T7 V8 S82 L133S4-A58 WeakPolarHBondContact OG-CB 3.28Å; V6-A58 PolarHBondContact O-N 2.93Å; T7-A58 WeakPolarHBondContact CA-O 3.01Å; T7-A58 HydrophobicContact CG2-CB 4.24Å; V8-A58 PolarHBondContact N-O 2.92Å; A58-S82 WeakPolarHBondContact CA-O 3.46Å; A58-L133 HydrophobicContact CB-CB 4.41Å; A58-L133 HydrophobicContact CB-CD2 4.02Å
59L98.7Very high97.9Very high0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-113.2127.2168.7-173.663000109.4V8 L12 A44 C47 L76 V81 S82 I86V8-L59 HydrophobicContact CB-CD1 3.96Å; V8-L59 HydrophobicContact CG1-CD1 4.15Å; V8-L59 WeakPolarHBondContact O-CA 3.38Å; L12-L59 HydrophobicContact CD1-CD2 4.09Å; L12-L59 HydrophobicContact CD2-CD2 3.67Å; L12-L59 HydrophobicContact CG-CD2 3.85Å; A44-L59 HydrophobicContact CB-CD2 4.35Å; C47-L59 HydrophobicContact CB-CD1 4.15Å; L59-L76 HydrophobicContact CD2-CD1 3.59Å; L59-V81 HydrophobicContact CB-CG1 4.07Å; L59-S82 PolarHBondContact N-O 2.75Å; L59-I86 HydrophobicContact CB-CD1 4.37Å; L59-I86 HydrophobicContact CB-CG1 4.5Å; L59-I86 HydrophobicContact CD2-CD1 4.08Å; L59-I86 HydrophobicContact CG-CD1 4.42Å
60V98.7Very high97.9Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-106.6123.4168.1-177.20000107.2T7 V8 V9 G10 G85 I125 A128T7-V60 HydrophobicContact CG2-CG2 3.83Å; V8-V60 PolarHBondContact O-N 3.3Å; V9-V60 WeakPolarHBondContact CA-O 3.24Å; V9-V60 HydrophobicContact CB-CB 4.47Å; V9-V60 HydrophobicContact CG1-CB 4.25Å; V9-V60 HydrophobicContact CG1-CG1 4.29Å; V9-V60 HydrophobicContact CG2-CB 4.12Å; V9-V60 HydrophobicContact CG2-CG2 4.49Å; G10-V60 PolarHBondContact N-O 2.72Å; V60-G85 WeakPolarHBondContact CA-O 3.38Å; V60-I125 HydrophobicContact CG1-CD1 3.83Å; V60-A128 HydrophobicContact CB-CB 4.36Å; V60-A128 HydrophobicContact CG1-CB 3.86Å; V60-A128 HydrophobicContact CG2-CB 3.5Å
61G98.5Very high97.8Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-173.2-171-174.400000110.9G85 I86 S87G61-G85 PolarHBondContact N-O 3.42Å; G61-I86 WeakPolarHBondContact O-CA 3.36Å; G61-S87 PolarHBondContact O-N 3.48Å; G61-S87 VanDerWaalsContact O-N 3.07Å
62K98.5Very high97.8Very high27 Ų2729.9 Ų29.912%0.11715%0.154CC..EExtended strand (participates in β ladder)trans-144.9132.2179.8-165.1174.4-63.2-171.40111.1S87 A116 L119 V120 D124K62-S87 WeakPolarHBondContact CA-O 3.26Å; K62-S87 WeakPolarHBondContact CE-OG 3.33Å; K62-S87 WeakPolarHBondContact CG-O 3.41Å; K62-A116 HydrophobicContact CB-CB 4.39Å; K62-A116 HydrophobicContact CG-CB 4.09Å; K62-L119 HydrophobicContact CD-CB 3.85Å; K62-L119 WeakPolarHBondContact CE-O 3.4Å; K62-L119 PolarHBondContact NZ-O 3.05Å; K62-V120 HydrophobicContact CB-CG2 3.7Å; K62-D124 VanDerWaalsContact CE-CG 3.45Å; K62-D124 WeakPolarHBondContact CE-OD1 3.36Å; K62-D124 VanDerWaalsContact CE-OD2 3.31Å; K62-D124 WeakPolarHBondContact CE-OD2 3.08Å; K62-D124 VanDerWaalsContact NZ-CG 3.27Å; K62-D124 IonicContact NZ-OD1 2.63Å; K62-D124 PolarHBondContact NZ-OD1 3.26Å; K62-D124 IonicContact NZ-OD2 2.92Å; K62-D124 PolarHBondContact NZ-OD2 2.95Å
63V98.7Very high97.9Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-113.7166.5174.7-61.90000110.2L12 I73 I86 S87 R88 S89 T94 A116L12-V63 HydrophobicContact CB-CG1 4.13Å; L12-V63 HydrophobicContact CD1-CG1 4.17Å; L12-V63 HydrophobicContact CD2-CG1 4Å; L12-V63 HydrophobicContact CG-CG1 4.34Å; V63-I73 HydrophobicContact CG2-CD1 3.82Å; V63-I86 HydrophobicContact CG1-CG2 4.05Å; V63-I86 HydrophobicContact CG2-CG2 4.06Å; V63-S87 PolarHBondContact N-O 2.67Å; V63-R88 HydrophobicContact CG2-CG 4.1Å; V63-R88 CarbonylContact O-C 3.59Å; V63-R88 VanDerWaalsContact O-CA 3.31Å; V63-R88 WeakPolarHBondContact O-CA 3.41Å; V63-S89 PolarHBondContact O-N 3.38Å; V63-T94 HydrophobicContact CB-CG2 4.18Å; V63-T94 HydrophobicContact CG1-CG2 4.17Å; V63-A116 VanDerWaalsContact C-CB 3.43Å
64G98.4Very high97.9Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-71.7156.1168.400000110.8D66 S89 N92 T94G64-D66 PolarHBondContact O-N 3.21Å; G64-S89 CarbonylContact C-O 3.54Å; G64-S89 WeakPolarHBondContact CA-O 3.5Å; G64-N92 WeakPolarHBondContact CA-O 3.17Å; G64-T94 PolarHBondContact N-OG1 2.93Å
65D98Very high98Very high111 Ų11132.1 Ų32.159%0.59415%0.15SC*.SBendtrans-77.761.3167-163.625.3000110.3R88 S89D65-R88 HydrophobicContact CB-CB 4.38Å; D65-R88 IonicContact OD1-NH1 2.91Å; D65-S89 PolarHBondContact N-O 3.48Å
66D98Very high98.2Very high46 Ų4632.1 Ų32.125%0.24615%0.15CC..SBendtrans-136.1174.4-174.96236.6000111.7G64 F68 G69 E70 S93 T94G64-D66 PolarHBondContact O-N 3.21Å; D66-F68 VanDerWaalsContact C-N 3.27Å; D66-F68 PolarHBondContact O-N 3.02Å; D66-F68 WeakPolarHBondContact OD1-CB 3.25Å; D66-F68 PolarHBondContact OD1-N 3.36Å; D66-F68 VanDerWaalsContact OD1-N 3.15Å; D66-G69 PolarHBondContact O-N 3.13Å; D66-G69 PolarHBondContact OD1-N 2.86Å; D66-E70 PolarHBondContact O-N 3.26Å; D66-E70 VanDerWaalsContact O-N 3.11Å; D66-S93 VanDerWaalsContact OD2-CA 3.3Å; D66-S93 WeakPolarHBondContact OD2-CA 3.3Å; D66-T94 WeakPolarHBondContact OD1-CB 3.17Å; D66-T94 PolarHBondContact OD1-OG1 3.35Å; D66-T94 PolarHBondContact OD2-N 3.35Å; D66-T94 PolarHBondContact OD2-OG1 2.9Å
67Y97.1Very high98.2Very high168 Ų16835.1 Ų35.166%0.65916%0.161SC*.Hα-helixtrans-60.3-36.9-179.1179.1-106.2000112.6E70 M71Y67-E70 PolarHBondContact O-N 3.44Å; Y67-M71 HydrophobicContact CD1-CG 4.28Å; Y67-M71 HydrophobicContact CD1-SD 3.8Å; Y67-M71 HydrophobicContact CE1-CG 3.85Å; Y67-M71 HydrophobicContact CE1-SD 3.05Å; Y67-M71 WeakPolarHBondContact CE1-SD 3.46Å; Y67-M71 HydrophobicContact CE2-CG 4.14Å; Y67-M71 HydrophobicContact CE2-SD 4.29Å; Y67-M71 WeakPolarHBondContact O-CB 3.2Å; Y67-M71 WeakPolarHBondContact O-CG 3.41Å; Y67-M71 PolarHBondContact O-N 3.46Å; Y67-M71 PolarHBondContact OH-SD 3.46Å; Y67-M71 VanDerWaalsContact OH-SD 3.37Å
68F97.9Very high98.2Very high61 Ų6142.6 Ų42.627%0.26820%0.196SC..Hα-helixtrans-67.7-39.8178.9-69.2-46.6000111.7V14 L16 L37 D66 M71 F72 T94 V96V14-F68 HydrophobicContact CB-CD1 4.4Å; V14-F68 HydrophobicContact CG1-CD1 3.97Å; V14-F68 HydrophobicContact CG1-CE1 4.29Å; V14-F68 HydrophobicContact CG2-CB 3.93Å; V14-F68 HydrophobicContact CG2-CD1 4.38Å; V14-F68 HydrophobicContact CG2-CG 4.36Å; L16-F68 HydrophobicContact CD2-CE1 4.03Å; L16-F68 HydrophobicContact CD2-CZ 3.84Å; L37-F68 HydrophobicContact CD2-CE1 4.15Å; D66-F68 VanDerWaalsContact C-N 3.27Å; D66-F68 PolarHBondContact O-N 3.02Å; D66-F68 WeakPolarHBondContact OD1-CB 3.25Å; D66-F68 PolarHBondContact OD1-N 3.36Å; D66-F68 VanDerWaalsContact OD1-N 3.15Å; F68-M71 PolarHBondContact O-N 3.28Å; F68-F72 WeakPolarHBondContact O-CB 3.26Å; F68-F72 PolarHBondContact O-N 3.46Å; F68-T94 HydrophobicContact CB-CG2 4.19Å; F68-V96 HydrophobicContact CD2-CG1 4.14Å; F68-V96 HydrophobicContact CE2-CG1 4.41Å
69G98.4Very high98.1Very high0 Ų045.1 Ų45.10%021%0.209CC..Hα-helixtrans-64-44.4176.600000112D66 F72 I73 T94D66-G69 PolarHBondContact O-N 3.13Å; D66-G69 PolarHBondContact OD1-N 2.86Å; G69-F72 PolarHBondContact O-N 2.97Å; G69-I73 WeakPolarHBondContact O-CG1 3.16Å; G69-I73 PolarHBondContact O-N 3.04Å; G69-I73 VanDerWaalsContact O-N 3.1Å; G69-T94 WeakPolarHBondContact CA-OG1 3.42Å; G69-T94 PolarHBondContact N-OG1 2.82Å
70E98.1Very high98Very high67 Ų6746.5 Ų46.531%0.31322%0.224SC..Hα-helixtrans-60.9-50.8174.4-176.160.2-14100111.5D66 Y67 F72 I73 Q74 R88D66-E70 PolarHBondContact O-N 3.26Å; D66-E70 VanDerWaalsContact O-N 3.11Å; Y67-E70 PolarHBondContact O-N 3.44Å; E70-F72 VanDerWaalsContact C-N 3.3Å; E70-F72 PolarHBondContact O-N 2.89Å; E70-I73 PolarHBondContact O-N 3.48Å; E70-Q74 WeakPolarHBondContact O-CG 3.47Å; E70-Q74 PolarHBondContact O-N 3.24Å; E70-Q74 PolarHBondContact OE1-NE2 3.16Å; E70-R88 IonicContact OE2-CZ 3.72Å; E70-R88 IonicContact OE2-NH1 3.56Å; E70-R88 PolarHBondContact OE2-NH1 3.11Å; E70-R88 IonicContact OE2-NH2 2.72Å; E70-R88 PolarHBondContact OE2-NH2 3.22Å
71M97.7Very high98Very high39 Ų3946.8 Ų46.819%0.19223%0.225CC..Hα-helixtrans-54.9-45.7178.5-84.2-168.957.200112.4L37 Y39 Y67 F68 Q74 H75L37-M71 HydrophobicContact CD1-CE 4.19Å; Y39-M71 WeakPolarHBondContact OH-CE 3.28Å; Y67-M71 HydrophobicContact CD1-CG 4.28Å; Y67-M71 HydrophobicContact CD1-SD 3.8Å; Y67-M71 HydrophobicContact CE1-CG 3.85Å; Y67-M71 HydrophobicContact CE1-SD 3.05Å; Y67-M71 WeakPolarHBondContact CE1-SD 3.46Å; Y67-M71 HydrophobicContact CE2-CG 4.14Å; Y67-M71 HydrophobicContact CE2-SD 4.29Å; Y67-M71 WeakPolarHBondContact O-CB 3.2Å; Y67-M71 WeakPolarHBondContact O-CG 3.41Å; Y67-M71 PolarHBondContact O-N 3.46Å; Y67-M71 PolarHBondContact OH-SD 3.46Å; Y67-M71 VanDerWaalsContact OH-SD 3.37Å; F68-M71 PolarHBondContact O-N 3.28Å; M71-Q74 PolarHBondContact O-N 3.13Å; M71-H75 PolarHBondContact O-N 2.87Å
72F98.3Very high98Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-64-45.9-179-148-39.3000111.1L12 N13 V14 Y39 G40 A44 F68 G69 E70 Q74 H75 L76L12-F72 HydrophobicContact CB-CD2 3.92Å; L12-F72 HydrophobicContact CB-CE2 3.75Å; L12-F72 HydrophobicContact CB-CG 4.47Å; L12-F72 HydrophobicContact CB-CZ 4.18Å; L12-F72 HydrophobicContact CD2-CD1 3.85Å; L12-F72 HydrophobicContact CD2-CD2 4.28Å; L12-F72 HydrophobicContact CD2-CE1 4.05Å; L12-F72 HydrophobicContact CD2-CE2 4.43Å; L12-F72 HydrophobicContact CD2-CG 3.99Å; L12-F72 HydrophobicContact CD2-CZ 4.34Å; N13-F72 VanDerWaalsContact O-CE2 3.28Å; N13-F72 WeakPolarHBondContact O-CE2 3.47Å; V14-F72 HydrophobicContact CG2-CD2 3.8Å; V14-F72 HydrophobicContact CG2-CE2 4.43Å; Y39-F72 HydrophobicContact CD1-CB 4.41Å; Y39-F72 AromaticContact CD1-CD1 3.86Å; Y39-F72 HydrophobicContact CD1-CD1 3.86Å; Y39-F72 AromaticContact CD1-CD2 3.93Å; Y39-F72 HydrophobicContact CD1-CD2 3.93Å; Y39-F72 HydrophobicContact CD1-CE1 4.02Å; Y39-F72 HydrophobicContact CD1-CE2 4.08Å; Y39-F72 AromaticContact CD1-CG 3.81Å; Y39-F72 HydrophobicContact CD1-CG 3.81Å; Y39-F72 HydrophobicContact CD1-CZ 4.12Å; Y39-F72 HydrophobicContact CE1-CB 4.38Å; Y39-F72 HydrophobicContact CE1-CD1 4.47Å; Y39-F72 HydrophobicContact CE1-CG 4.26Å; Y39-F72 HydrophobicContact CG-CE1 4.37Å; Y39-F72 HydrophobicContact CG-CZ 4.44Å; G40-F72 WeakPolarHBondContact O-CZ 3.23Å; A44-F72 HydrophobicContact CB-CE1 3.94Å; A44-F72 HydrophobicContact CB-CZ 3.65Å; F68-F72 WeakPolarHBondContact O-CB 3.26Å; F68-F72 PolarHBondContact O-N 3.46Å; G69-F72 PolarHBondContact O-N 2.97Å; E70-F72 VanDerWaalsContact C-N 3.3Å; E70-F72 PolarHBondContact O-N 2.89Å; F72-Q74 VanDerWaalsContact C-N 3.27Å; F72-Q74 PolarHBondContact O-N 3.13Å; F72-H75 WeakPolarHBondContact O-CB 3.38Å; F72-H75 PolarHBondContact O-N 3.36Å; F72-L76 HydrophobicContact CD1-CD1 3.84Å; F72-L76 HydrophobicContact CD1-CG 3.87Å; F72-L76 HydrophobicContact CE1-CD1 4.04Å; F72-L76 HydrophobicContact CE1-CD2 4.19Å; F72-L76 HydrophobicContact CE1-CG 4Å; F72-L76 PolarHBondContact O-N 3.46Å
73I98.6Very high97.9Very high8 Ų847.1 Ų47.14%0.04123%0.231CC..Hα-helixtrans-58.2-42.1177-72167.3000110.8V63 G69 E70 L76 K77 T83 I86V63-I73 HydrophobicContact CG2-CD1 3.82Å; G69-I73 WeakPolarHBondContact O-CG1 3.16Å; G69-I73 PolarHBondContact O-N 3.04Å; G69-I73 VanDerWaalsContact O-N 3.1Å; E70-I73 PolarHBondContact O-N 3.48Å; I73-L76 PolarHBondContact O-N 2.97Å; I73-K77 HydrophobicContact CG2-CD 4.18Å; I73-K77 WeakPolarHBondContact O-CG 3.46Å; I73-K77 PolarHBondContact O-N 3.17Å; I73-T83 HydrophobicContact CG2-CG2 4.3Å; I73-I86 HydrophobicContact CD1-CG2 4.04Å; I73-I86 HydrophobicContact CG1-CD1 4.26Å; I73-I86 HydrophobicContact CG1-CG2 4.11Å
74Q98.4Very high97.9Very high76 Ų7650.6 Ų50.636%0.35525%0.249SC..Hα-helixtrans-66.3-41.5177.9-64.5-58.9-26.500112.5E70 M71 F72 K77 Q78E70-Q74 WeakPolarHBondContact O-CG 3.47Å; E70-Q74 PolarHBondContact O-N 3.24Å; E70-Q74 PolarHBondContact OE1-NE2 3.16Å; M71-Q74 PolarHBondContact O-N 3.13Å; F72-Q74 VanDerWaalsContact C-N 3.27Å; F72-Q74 PolarHBondContact O-N 3.13Å; Q74-K77 PolarHBondContact O-N 3.24Å; Q74-Q78 VanDerWaalsContact O-CG 3.31Å; Q74-Q78 WeakPolarHBondContact O-CG 3.04Å; Q74-Q78 PolarHBondContact O-N 2.96Å
75H97.8Very high97.9Very high32 Ų3250.8 Ų50.815%0.14825%0.251CS..Hα-helixtrans-57.9-48.4174.3170.667000112.1Y39 M71 F72 K77 Q78 L79 Q343Y39-H75 HydrophobicContact CD1-CB 4.39Å; Y39-H75 AromaticContact CD1-CD2 3.95Å; Y39-H75 HydrophobicContact CD2-CB 4.33Å; Y39-H75 AromaticContact CD2-CD2 3.43Å; Y39-H75 VanDerWaalsContact CD2-CD2 3.43Å; Y39-H75 WeakPolarHBondContact CD2-CD2 3.48Å; Y39-H75 AromaticContact CD2-CE1 3.64Å; Y39-H75 AromaticContact CD2-CG 3.58Å; Y39-H75 AromaticContact CD2-ND1 3.74Å; Y39-H75 AromaticContact CD2-NE2 3.47Å; Y39-H75 WeakPolarHBondContact CD2-NE2 3.34Å; Y39-H75 HydrophobicContact CE1-CB 3.9Å; Y39-H75 HydrophobicContact CE2-CB 3.82Å; Y39-H75 AromaticContact CE2-CD2 3.81Å; Y39-H75 AromaticContact CE2-CE1 3.92Å; Y39-H75 AromaticContact CE2-CG 3.44Å; Y39-H75 VanDerWaalsContact CE2-CG 3.44Å; Y39-H75 AromaticContact CE2-ND1 3.54Å; Y39-H75 AromaticContact CG-CD2 3.5Å; Y39-H75 AromaticContact CG-CG 3.99Å; Y39-H75 AromaticContact CG-NE2 3.8Å; Y39-H75 AromaticContact CZ-CG 3.74Å; M71-H75 PolarHBondContact O-N 2.87Å; F72-H75 WeakPolarHBondContact O-CB 3.38Å; F72-H75 PolarHBondContact O-N 3.36Å; H75-K77 VanDerWaalsContact C-N 3.35Å; H75-K77 PolarHBondContact O-N 3.43Å; H75-Q78 WeakPolarHBondContact O-CB 3.48Å; H75-Q78 PolarHBondContact O-N 3.29Å; H75-L79 PolarHBondContact O-N 2.77Å; H75-L79 VanDerWaalsContact O-N 3.16Å; H75-Q343 PolarHBondContact NE2-OE1 2.92Å
76L98.4Very high97.9Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-62.4-40.3177.8-71.3173.7000112.4L12 V48 L59 F72 I73 Q78 L79 G80 V81 T83 I86L12-L76 HydrophobicContact CD2-CD1 3.73Å; V48-L76 HydrophobicContact CG2-CD2 3.78Å; L59-L76 HydrophobicContact CD2-CD1 3.59Å; F72-L76 HydrophobicContact CD1-CD1 3.84Å; F72-L76 HydrophobicContact CD1-CG 3.87Å; F72-L76 HydrophobicContact CE1-CD1 4.04Å; F72-L76 HydrophobicContact CE1-CD2 4.19Å; F72-L76 HydrophobicContact CE1-CG 4Å; F72-L76 PolarHBondContact O-N 3.46Å; I73-L76 PolarHBondContact O-N 2.97Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 2.76Å; L76-L79 PolarHBondContact O-N 3.31Å; L76-G80 PolarHBondContact O-N 3.25Å; L76-G80 VanDerWaalsContact O-N 3.13Å; L76-V81 HydrophobicContact CB-CB 4.16Å; L76-V81 HydrophobicContact CD2-CB 4.4Å; L76-V81 HydrophobicContact CD2-CG2 4.24Å; L76-V81 PolarHBondContact O-N 3.47Å; L76-T83 HydrophobicContact CB-CG2 3.65Å; L76-T83 HydrophobicContact CD1-CG2 4.39Å; L76-I86 HydrophobicContact CD1-CD1 3.74Å
77K98.2Very high97.9Very high102 Ų10245.6 Ų45.644%0.44323%0.226SC..Hα-helixtrans-61.7-40.1174.4-76.1176.8179.4178.40112.3I73 Q74 H75 L79 G80 T83I73-K77 HydrophobicContact CG2-CD 4.18Å; I73-K77 WeakPolarHBondContact O-CG 3.46Å; I73-K77 PolarHBondContact O-N 3.17Å; Q74-K77 PolarHBondContact O-N 3.24Å; H75-K77 VanDerWaalsContact C-N 3.35Å; H75-K77 PolarHBondContact O-N 3.43Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 2.65Å; K77-G80 WeakPolarHBondContact O-CA 3.42Å; K77-G80 PolarHBondContact O-N 3.14Å; K77-T83 WeakPolarHBondContact CE-OG1 3.19Å; K77-T83 HydrophobicContact CG-CG2 3.86Å
78Q97.8Very high97.9Very high158 Ų15842.4 Ų42.474%0.73821%0.213SC*.Hα-helixtrans-64-33.5176.9-72170.69.500112.2Q74 H75 L76 G80Q74-Q78 VanDerWaalsContact O-CG 3.31Å; Q74-Q78 WeakPolarHBondContact O-CG 3.04Å; Q74-Q78 PolarHBondContact O-N 2.96Å; H75-Q78 WeakPolarHBondContact O-CB 3.48Å; H75-Q78 PolarHBondContact O-N 3.29Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 2.76Å; Q78-G80 PolarHBondContact O-N 2.88Å
79L96.9Very high97.9Very high52 Ų5240 Ų4027%0.27220%0.203SC..THydrogen-bonded Turntrans-76.9-9171.6-63.2174000113V48 R51 H75 L76 K77V48-L79 HydrophobicContact CB-CD1 4.45Å; V48-L79 HydrophobicContact CG1-CD1 3.8Å; V48-L79 HydrophobicContact CG2-CD1 3.72Å; R51-L79 VanDerWaalsContact CG-O 3.28Å; R51-L79 WeakPolarHBondContact CG-O 3.41Å; R51-L79 PolarHBondContact NE-O 3.08Å; H75-L79 PolarHBondContact O-N 2.77Å; H75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.31Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 2.65Å
80G96.7Very high97.8Very high30 Ų3045.3 Ų45.331%0.30924%0.24SC..THydrogen-bonded Turntrans78.821.7-179.300000114.3R51 L76 K77 Q78R51-G80 PolarHBondContact NE-O 2.85Å; L76-G80 PolarHBondContact O-N 3.25Å; L76-G80 VanDerWaalsContact O-N 3.13Å; K77-G80 WeakPolarHBondContact O-CA 3.42Å; K77-G80 PolarHBondContact O-N 3.14Å; Q78-G80 PolarHBondContact O-N 2.88Å
81V98Very high97.5Very high5 Ų549.1 Ų49.13%0.0326%0.26CS..  trans-73.6136.2167.9175.50000108.8C47 R51 L59 L76 T83C47-V81 VanDerWaalsContact SG-CG1 3.52Å; R51-V81 HydrophobicContact CB-CG2 3.85Å; R51-V81 HydrophobicContact CG-CG2 3.74Å; L59-V81 HydrophobicContact CB-CG1 4.07Å; L76-V81 HydrophobicContact CB-CB 4.16Å; L76-V81 HydrophobicContact CD2-CB 4.4Å; L76-V81 HydrophobicContact CD2-CG2 4.24Å; L76-V81 PolarHBondContact O-N 3.47Å; V81-T83 PolarHBondContact O-N 3.42Å
82S97.7Very high97.4Very high25 Ų2550.5 Ų50.518%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-69.8118.8169.4176.50000110.1T57 A58 L59 D84T57-S82 PolarHBondContact O-N 2.91Å; A58-S82 WeakPolarHBondContact CA-O 3.46Å; L59-S82 PolarHBondContact N-O 2.75Å; S82-D84 PolarHBondContact OG-OD2 2.96Å
83T98Very high97.3Very high10 Ų1053.1 Ų53.16%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-102.77.1-178.661.20000113.1I73 L76 K77 V81 G85 I86I73-T83 HydrophobicContact CG2-CG2 4.3Å; L76-T83 HydrophobicContact CB-CG2 3.65Å; L76-T83 HydrophobicContact CD1-CG2 4.39Å; K77-T83 WeakPolarHBondContact CE-OG1 3.19Å; K77-T83 HydrophobicContact CG-CG2 3.86Å; V81-T83 PolarHBondContact O-N 3.42Å; T83-G85 PolarHBondContact O-N 2.72Å; T83-I86 HydrophobicContact CG2-CD1 3.91Å; T83-I86 WeakPolarHBondContact O-CB 3.4Å; T83-I86 PolarHBondContact O-N 3.36Å
84D97.7Very high97.3Very high72 Ų7252.8 Ų52.839%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-67.6-18.5-174.4-59.1-43.1000112.7M1 S82 L131 L133M1-D84 HydrophobicContact CE-CB 4.33Å; M1-D84 WeakPolarHBondContact CE-OD2 3.23Å; S82-D84 PolarHBondContact OG-OD2 2.96Å; D84-L131 HydrophobicContact CB-CD1 4.17Å; D84-L131 WeakPolarHBondContact O-CD1 3.22Å; D84-L133 HydrophobicContact CB-CD1 4.36Å
85G97.7Very high97.3Very high4 Ų449.1 Ų49.14%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-87.22.1173.800000114.4V60 G61 T83 L133V60-G85 WeakPolarHBondContact CA-O 3.38Å; G61-G85 PolarHBondContact N-O 3.42Å; T83-G85 PolarHBondContact O-N 2.72Å; G85-L133 VanDerWaalsContact CA-CD1 3.49Å; G85-L133 VanDerWaalsContact N-CD1 3.31Å
86I98.6Very high97.2Very high18 Ų1848.7 Ų48.79%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-94109.7179.4-54.5175.9000109.2L12 L59 G61 V63 I73 L76 T83L12-I86 HydrophobicContact CD2-CD1 4.04Å; L59-I86 HydrophobicContact CB-CD1 4.37Å; L59-I86 HydrophobicContact CB-CG1 4.5Å; L59-I86 HydrophobicContact CD2-CD1 4.08Å; L59-I86 HydrophobicContact CG-CD1 4.42Å; G61-I86 WeakPolarHBondContact O-CA 3.36Å; V63-I86 HydrophobicContact CG1-CG2 4.05Å; V63-I86 HydrophobicContact CG2-CG2 4.06Å; I73-I86 HydrophobicContact CD1-CG2 4.04Å; I73-I86 HydrophobicContact CG1-CD1 4.26Å; I73-I86 HydrophobicContact CG1-CG2 4.11Å; L76-I86 HydrophobicContact CD1-CD1 3.74Å; T83-I86 HydrophobicContact CG2-CD1 3.91Å; T83-I86 WeakPolarHBondContact O-CB 3.4Å; T83-I86 PolarHBondContact O-N 3.36Å
87S97.9Very high97.1Very high31 Ų3149 Ų4922%0.21727%0.269CS..EExtended strand (participates in β ladder)trans-89.5166.8175.1560000111.7G61 K62 V63 D124G61-S87 PolarHBondContact O-N 3.48Å; G61-S87 VanDerWaalsContact O-N 3.07Å; K62-S87 WeakPolarHBondContact CA-O 3.26Å; K62-S87 WeakPolarHBondContact CE-OG 3.33Å; K62-S87 WeakPolarHBondContact CG-O 3.41Å; V63-S87 PolarHBondContact N-O 2.67Å; S87-D124 PolarHBondContact OG-OD1 3.13Å
88R98.2Very high97Very high101 Ų10146.7 Ų46.738%0.38127%0.266SS..EExtended strand (participates in β ladder)trans-115.3142.1179.1-62.9-175.1-174.3-137.8-3.1111.1V63 D65 E70V63-R88 HydrophobicContact CG2-CG 4.1Å; V63-R88 CarbonylContact O-C 3.59Å; V63-R88 VanDerWaalsContact O-CA 3.31Å; V63-R88 WeakPolarHBondContact O-CA 3.41Å; D65-R88 HydrophobicContact CB-CB 4.38Å; D65-R88 IonicContact OD1-NH1 2.91Å; E70-R88 IonicContact OE2-CZ 3.72Å; E70-R88 IonicContact OE2-NH1 3.56Å; E70-R88 PolarHBondContact OE2-NH1 3.11Å; E70-R88 IonicContact OE2-NH2 2.72Å; E70-R88 PolarHBondContact OE2-NH2 3.22Å
89S97.3Very high96.8Very high9 Ų940.2 Ų40.26%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-109.4125.7171.9-174.10000110.6V63 G64 D65 M91 N92 L119V63-S89 PolarHBondContact O-N 3.38Å; G64-S89 CarbonylContact C-O 3.54Å; G64-S89 WeakPolarHBondContact CA-O 3.5Å; D65-S89 PolarHBondContact N-O 3.48Å; S89-M91 VanDerWaalsContact C-N 3.26Å; S89-M91 PolarHBondContact OG-N 3.32Å; S89-M91 VanDerWaalsContact OG-N 3.13Å; S89-N92 PolarHBondContact OG-N 3.41Å; S89-L119 VanDerWaalsContact OG-CD1 3.22Å; S89-L119 WeakPolarHBondContact OG-CD1 3.47Å
90S95.6Very high96.7Very high113 Ų11339 Ų3979%0.7923%0.232SC*.SBendtrans-81.4-6.4166.456.70000113
91M91.4Very high96.5Very high147 Ų14738.8 Ų38.872%0.72422%0.224SC*.SBendtrans-94.6-29.6-176-58.9-168.7-6000113.2S89 L119S89-M91 VanDerWaalsContact C-N 3.26Å; S89-M91 PolarHBondContact OG-N 3.32Å; S89-M91 VanDerWaalsContact OG-N 3.13Å; M91-L119 HydrophobicContact CE-CD1 4.12Å
92N95.5Very high96.2Very high68 Ų6840.9 Ų40.936%0.36423%0.233SC..SBendtrans-134.2146.1-174.3-69.665.2000109.8G64 S89 A116 L119G64-N92 WeakPolarHBondContact CA-O 3.17Å; S89-N92 PolarHBondContact OG-N 3.41Å; N92-A116 HydrophobicContact CB-CB 4.49Å; N92-L119 HydrophobicContact CB-CD1 3.89Å; N92-L119 VanDerWaalsContact OD1-CD1 3.31Å; N92-L119 WeakPolarHBondContact OD1-CD1 3.49Å
93S97.5Very high95.8Very high55 Ų5542.7 Ų42.739%0.38524%0.244SC..PPolyproline II helixtrans-64.6163.6173.363.60000111.6D66 G115 A116D66-S93 VanDerWaalsContact OD2-CA 3.3Å; D66-S93 WeakPolarHBondContact OD2-CA 3.3Å; S93-G115 CarbonylContact O-C 3.58Å; S93-G115 VanDerWaalsContact O-CA 3.28Å; S93-G115 WeakPolarHBondContact O-CA 3.46Å; S93-A116 PolarHBondContact O-N 3.05Å
94T98.4Very high95.1Very high0 Ų046.3 Ų46.30%028%0.283CS..PPolyproline II helixtrans-55.7147.4161.9-58.90000109.7V14 V63 G64 D66 F68 G69 V96V14-T94 HydrophobicContact CG2-CG2 4.35Å; V63-T94 HydrophobicContact CB-CG2 4.18Å; V63-T94 HydrophobicContact CG1-CG2 4.17Å; G64-T94 PolarHBondContact N-OG1 2.93Å; D66-T94 WeakPolarHBondContact OD1-CB 3.17Å; D66-T94 PolarHBondContact OD1-OG1 3.35Å; D66-T94 PolarHBondContact OD2-N 3.35Å; D66-T94 PolarHBondContact OD2-OG1 2.9Å; F68-T94 HydrophobicContact CB-CG2 4.19Å; G69-T94 WeakPolarHBondContact CA-OG1 3.42Å; G69-T94 PolarHBondContact N-OG1 2.82Å; T94-V96 PolarHBondContact O-N 3.48Å
95G97.7Very high94.5Very high0 Ų047.6 Ų47.60%029%0.293CS..EExtended strand (participates in β ladder)trans-58.9136.9174.300000110.4N13 V14 V113 P114N13-G95 CarbonylContact C-O 3.55Å; N13-G95 WeakPolarHBondContact CA-O 3.35Å; V14-G95 PolarHBondContact N-O 3.01Å; G95-V113 CarbonylContact C-O 3.6Å; G95-V113 VanDerWaalsContact CA-O 3.29Å; G95-V113 WeakPolarHBondContact CA-O 3.44Å; G95-P114 WeakPolarHBondContact CA-O 2.9Å
96V97.3Very high93.8Very high23 Ų2349.7 Ų49.714%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-137.2148.9178-63.60000111.1V14 L16 F68 T94 V113V14-V96 HydrophobicContact CB-CG1 4.38Å; V14-V96 CarbonylContact O-C 3.44Å; V14-V96 VanDerWaalsContact O-CA 3.23Å; V14-V96 WeakPolarHBondContact O-CA 3.46Å; L16-V96 HydrophobicContact CD1-CB 4.29Å; L16-V96 HydrophobicContact CD1-CG1 4.43Å; F68-V96 HydrophobicContact CD2-CG1 4.14Å; F68-V96 HydrophobicContact CE2-CG1 4.41Å; T94-V96 PolarHBondContact O-N 3.48Å; V96-V113 HydrophobicContact CG2-CB 3.87Å; V96-V113 HydrophobicContact CG2-CG2 4.3Å; V96-V113 PolarHBondContact N-O 3Å; V96-V113 PolarHBondContact O-N 2.95Å
97A95.3Very high93.2Very high5 Ų550.3 Ų50.34%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-116.7117.6165.600000108.9V14 L16 I99 I110 I111 I112V14-A97 PolarHBondContact O-N 3.19Å; L16-A97 PolarHBondContact N-O 3.07Å; A97-I99 HydrophobicContact CB-CD1 4.16Å; A97-I99 HydrophobicContact CB-CG1 4.02Å; A97-I110 HydrophobicContact CB-CG2 4.31Å; A97-I111 CarbonylContact C-O 3.54Å; A97-I111 WeakPolarHBondContact CA-O 3.34Å; A97-I112 HydrophobicContact CB-CG1 4.44Å
98S95.4Very high92.7Very high55 Ų5553.4 Ų53.439%0.38534%0.34SS..EExtended strand (participates in β ladder)trans-84.4111.6169.8-177.80000108.4I110 I111S98-I110 WeakPolarHBondContact O-CA 3.49Å; S98-I111 PolarHBondContact N-O 2.85Å; S98-I111 PolarHBondContact O-N 2.94Å
99I93.6Very high92.4Very high21 Ų2153.8 Ų53.811%0.10835%0.346CS..EExtended strand (participates in β ladder)trans-117.5116.1-172-55.1172.7000108.3D15 L16 S17 V18 A97 V101 Q109 I110D15-I99 HydrophobicContact CB-CD1 3.86Å; L16-I99 PolarHBondContact O-N 3Å; S17-I99 CarbonylContact C-O 3.59Å; S17-I99 WeakPolarHBondContact CA-O 3.44Å; V18-I99 PolarHBondContact N-O 3.39Å; A97-I99 HydrophobicContact CB-CD1 4.16Å; A97-I99 HydrophobicContact CB-CG1 4.02Å; I99-V101 HydrophobicContact CG2-CG2 3.66Å; I99-Q109 WeakPolarHBondContact CA-O 3.24Å; I99-I110 HydrophobicContact CG1-CG1 4.21Å; I99-I110 HydrophobicContact CG1-CG2 4.13Å; I99-I110 HydrophobicContact CG2-CG1 4.16Å
100T95Very high92Very high28 Ų2857.4 Ų57.417%0.17236%0.364CS..EExtended strand (participates in β ladder)trans-97.4127167.9-57.10000108.4V18 T20 I23 N108 Q109V18-T100 CarbonylContact O-C 3.52Å; V18-T100 WeakPolarHBondContact O-CA 3.45Å; T20-T100 HydrophobicContact CG2-CG2 4.25Å; I23-T100 HydrophobicContact CG1-CG2 4.46Å; T100-N108 CarbonylContact O-C 3.54Å; T100-N108 WeakPolarHBondContact O-CA 3.28Å; T100-N108 WeakPolarHBondContact O-CB 3.35Å; T100-Q109 PolarHBondContact N-O 3.21Å; T100-Q109 PolarHBondContact O-N 2.91Å
101V92.4Very high91.8Very high24 Ų2457.6 Ų57.615%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-120.7125-179.7-171.60000110.2V18 F19 T20 I99 G107 N108V18-V101 PolarHBondContact O-N 3.45Å; F19-V101 WeakPolarHBondContact CA-O 3.43Å; F19-V101 HydrophobicContact CD1-CB 3.75Å; F19-V101 HydrophobicContact CD1-CG1 3.97Å; F19-V101 HydrophobicContact CD1-CG2 4.44Å; F19-V101 HydrophobicContact CE1-CB 3.84Å; F19-V101 HydrophobicContact CE1-CG1 3.88Å; F19-V101 HydrophobicContact CE1-CG2 4.11Å; F19-V101 HydrophobicContact CG-CB 4.47Å; F19-V101 HydrophobicContact CZ-CG2 4.47Å; T20-V101 PolarHBondContact N-O 3.41Å; I99-V101 HydrophobicContact CG2-CG2 3.66Å; V101-G107 WeakPolarHBondContact CA-O 3.47Å; V101-N108 HydrophobicContact CG2-CB 4.5Å
102E93Very high91.8Very high49 Ų4955.6 Ų55.623%0.22935%0.345CS..EExtended strand (participates in β ladder)trans-76.3122.2173.4-170171.7-118.200110.8T20 I23 G104 T105 G106 G107T20-E102 CarbonylContact O-C 3.53Å; T20-E102 WeakPolarHBondContact O-CA 3.29Å; I23-E102 HydrophobicContact CD1-CB 4.2Å; I23-E102 HydrophobicContact CG1-CB 3.93Å; E102-G104 PolarHBondContact O-N 3.48Å; E102-T105 WeakPolarHBondContact CB-OG1 3.39Å; E102-T105 HydrophobicContact CG-CG2 4.46Å; E102-T105 WeakPolarHBondContact CG-OG1 3.33Å; E102-T105 WeakPolarHBondContact OE2-CB 3.37Å; E102-T105 VanDerWaalsContact OE2-CG2 3.28Å; E102-T105 WeakPolarHBondContact OE2-CG2 3.41Å; E102-T105 PolarHBondContact OE2-OG1 2.96Å; E102-G106 WeakPolarHBondContact O-CA 3.48Å; E102-G106 PolarHBondContact O-N 3.18Å; E102-G107 PolarHBondContact N-O 3.23Å
103T87.6Confident91.8Very high64 Ų6455.4 Ų55.439%0.39335%0.347SS..THydrogen-bonded Turntrans-73.2125.8-178.8-54.30000109.1T20T20-T103 WeakPolarHBondContact O-CB 3.3Å; T20-T103 PolarHBondContact O-N 3.01Å; T20-T103 PolarHBondContact O-OG1 3.36Å
104G84.3Confident91.6Very high86 Ų8654.3 Ų54.389%0.88734%0.338SS*.THydrogen-bonded Turntrans100-43.5179.400000113.5E102E102-G104 PolarHBondContact O-N 3.48Å
105T85.7Confident91.4Very high99 Ų9954.7 Ų54.761%0.60734%0.343SS*.THydrogen-bonded Turntrans-90-30.5176.567.90000112.6E102 G107E102-T105 WeakPolarHBondContact CB-OG1 3.39Å; E102-T105 HydrophobicContact CG-CG2 4.46Å; E102-T105 WeakPolarHBondContact CG-OG1 3.33Å; E102-T105 WeakPolarHBondContact OE2-CB 3.37Å; E102-T105 VanDerWaalsContact OE2-CG2 3.28Å; E102-T105 WeakPolarHBondContact OE2-CG2 3.41Å; E102-T105 PolarHBondContact OE2-OG1 2.96Å; T105-G107 PolarHBondContact O-N 3.42Å; T105-G107 PolarHBondContact OG1-N 2.87Å; T105-G107 VanDerWaalsContact OG1-N 3.15Å
106G82.2Confident91.4Very high47 Ų4754.7 Ų54.749%0.48534%0.343SS..  trans76.34.5-171.800000114.1E102E102-G106 WeakPolarHBondContact O-CA 3.48Å; E102-G106 PolarHBondContact O-N 3.18Å
107G86.6Confident91.4Very high31 Ų3153.7 Ų53.732%0.3234%0.336SS..  trans-58.4143.3173.800000111V101 E102 T105V101-G107 WeakPolarHBondContact CA-O 3.47Å; E102-G107 PolarHBondContact N-O 3.23Å; T105-G107 PolarHBondContact O-N 3.42Å; T105-G107 PolarHBondContact OG1-N 2.87Å; T105-G107 VanDerWaalsContact OG1-N 3.15Å
108N87.2Confident91.4Very high96 Ų9655.2 Ų55.251%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-138156.5-176.665.337.2000113.9T100 V101T100-N108 CarbonylContact O-C 3.54Å; T100-N108 WeakPolarHBondContact O-CA 3.28Å; T100-N108 WeakPolarHBondContact O-CB 3.35Å; V101-N108 HydrophobicContact CG2-CB 4.5Å
109Q91Very high91.4Very high109 Ų10955 Ų5551%0.50934%0.337SS..EExtended strand (participates in β ladder)trans-129.8130.9168.2-74.3-177.1-2100108.4I23 I99 T100I23-Q109 HydrophobicContact CD1-CG 4.3Å; I23-Q109 HydrophobicContact CG2-CG 4.13Å; I99-Q109 WeakPolarHBondContact CA-O 3.24Å; T100-Q109 PolarHBondContact N-O 3.21Å; T100-Q109 PolarHBondContact O-N 2.91Å
110I88.8Confident91.6Very high86 Ų8654 Ų5444%0.44133%0.332SS..EExtended strand (participates in β ladder)trans-126.8129.6-172.8-54.3179.7000109.2A97 S98 I99 I112A97-I110 HydrophobicContact CB-CG2 4.31Å; S98-I110 WeakPolarHBondContact O-CA 3.49Å; I99-I110 HydrophobicContact CG1-CG1 4.21Å; I99-I110 HydrophobicContact CG1-CG2 4.13Å; I99-I110 HydrophobicContact CG2-CG1 4.16Å; I110-I112 HydrophobicContact CG2-CD1 4.45Å; I110-I112 HydrophobicContact CG2-CG1 3.83Å
111I92.6Very high91.7Very high116 Ų11654.4 Ų54.460%0.59534%0.336SS*.EExtended strand (participates in β ladder)trans-115.7118.9167.6-56.2174.5000107.5A97 S98A97-I111 CarbonylContact C-O 3.54Å; A97-I111 WeakPolarHBondContact CA-O 3.34Å; S98-I111 PolarHBondContact N-O 2.85Å; S98-I111 PolarHBondContact O-N 2.94Å
112I91.4Very high91.9Very high105 Ų10557.8 Ų57.854%0.53835%0.35SS..EExtended strand (participates in β ladder)trans-99.3131.2178.7-57.9175.8000108.7A97 I110A97-I112 HydrophobicContact CB-CG1 4.44Å; I110-I112 HydrophobicContact CG2-CD1 4.45Å; I110-I112 HydrophobicContact CG2-CG1 3.83Å
113V93.8Very high92.2Very high65 Ų6563.7 Ų63.739%0.39438%0.375SS..EExtended strand (participates in β ladder)trans-116.2105.6167.1-179.10000106.6G95 V96 G115G95-V113 CarbonylContact C-O 3.6Å; G95-V113 VanDerWaalsContact CA-O 3.29Å; G95-V113 WeakPolarHBondContact CA-O 3.44Å; V96-V113 HydrophobicContact CG2-CB 3.87Å; V96-V113 HydrophobicContact CG2-CG2 4.3Å; V96-V113 PolarHBondContact N-O 3Å; V96-V113 PolarHBondContact O-N 2.95Å; V113-G115 PolarHBondContact O-N 2.83Å
114P93.2Very high92.7Very high31 Ų3161.6 Ų61.620%0.20136%0.362CS..  trans-67.4-23-174.727.6-35000112.4G95 A116 N117 M118G95-P114 WeakPolarHBondContact CA-O 2.9Å; P114-A116 PolarHBondContact O-N 2.87Å; P114-N117 VanDerWaalsContact O-CB 3.27Å; P114-N117 WeakPolarHBondContact O-CB 3.26Å; P114-N117 PolarHBondContact O-N 3.31Å; P114-N117 VanDerWaalsContact O-N 3.14Å; P114-N117 PolarHBondContact O-ND2 2.97Å; P114-M118 HydrophobicContact CB-CG 3.9Å; P114-M118 HydrophobicContact CG-CG 3.94Å
115G95.7Very high93.4Very high9 Ų957.5 Ų57.59%0.09332%0.319CS..G310 helixtrans57.1-132.2173.500000112S93 V113 N117S93-G115 CarbonylContact O-C 3.58Å; S93-G115 VanDerWaalsContact O-CA 3.28Å; S93-G115 WeakPolarHBondContact O-CA 3.46Å; V113-G115 PolarHBondContact O-N 2.83Å; G115-N117 PolarHBondContact O-N 3.24Å
116A97.5Very high93.9Very high0 Ų054.3 Ų54.30%030%0.301CS..G310 helixtrans-65.5-13.8-178.500000114.4K62 V63 N92 S93 P114 M118 L119K62-A116 HydrophobicContact CB-CB 4.39Å; K62-A116 HydrophobicContact CG-CB 4.09Å; V63-A116 VanDerWaalsContact C-CB 3.43Å; N92-A116 HydrophobicContact CB-CB 4.49Å; S93-A116 PolarHBondContact O-N 3.05Å; P114-A116 PolarHBondContact O-N 2.87Å; A116-M118 VanDerWaalsContact C-N 3.3Å; A116-M118 PolarHBondContact O-N 2.89Å; A116-L119 WeakPolarHBondContact O-CB 3.49Å; A116-L119 PolarHBondContact O-N 2.99Å
117N97Very high94.7Very high1 Ų157.4 Ų57.41%0.00530%0.301CS..G310 helixtrans-60-38.5178.7-65.8-45.5000112.4S11 L12 N13 P114 G115 L119 V120 I145S11-N117 WeakPolarHBondContact CA-OD1 3.45Å; L12-N117 PolarHBondContact N-OD1 3.44Å; L12-N117 PolarHBondContact O-ND2 3.28Å; L12-N117 PolarHBondContact O-OD1 3.13Å; N13-N117 PolarHBondContact OD1-ND2 3.1Å; P114-N117 VanDerWaalsContact O-CB 3.27Å; P114-N117 WeakPolarHBondContact O-CB 3.26Å; P114-N117 PolarHBondContact O-N 3.31Å; P114-N117 VanDerWaalsContact O-N 3.14Å; P114-N117 PolarHBondContact O-ND2 2.97Å; G115-N117 PolarHBondContact O-N 3.24Å; N117-L119 PolarHBondContact O-N 2.86Å; N117-V120 WeakPolarHBondContact O-CG2 3.05Å; N117-V120 PolarHBondContact O-N 2.85Å; N117-I145 HydrophobicContact CB-CG2 4.47Å
118M94.5Very high95.2Very high37 Ų3755.9 Ų55.918%0.18229%0.286CS..G310 helixtrans-73.2-9.6177.1-64.3-49.9-64.200113.8P114 A116 E179P114-M118 HydrophobicContact CB-CG 3.9Å; P114-M118 HydrophobicContact CG-CG 3.94Å; A116-M118 VanDerWaalsContact C-N 3.3Å; A116-M118 PolarHBondContact O-N 2.89Å; M118-E179 HydrophobicContact CE-CB 3.91Å; M118-E179 HydrophobicContact CE-CG 4.06Å; M118-E179 HydrophobicContact CG-CG 4.42Å
119L96Very high95.6Very high51 Ų5154.1 Ų54.127%0.26728%0.275SS..G310 helixtrans-93.8-2.5175.9-63-174.6000113.4K62 S89 M91 N92 A116 N117 S121K62-L119 HydrophobicContact CD-CB 3.85Å; K62-L119 WeakPolarHBondContact CE-O 3.4Å; K62-L119 PolarHBondContact NZ-O 3.05Å; S89-L119 VanDerWaalsContact OG-CD1 3.22Å; S89-L119 WeakPolarHBondContact OG-CD1 3.47Å; M91-L119 HydrophobicContact CE-CD1 4.12Å; N92-L119 HydrophobicContact CB-CD1 3.89Å; N92-L119 VanDerWaalsContact OD1-CD1 3.31Å; N92-L119 WeakPolarHBondContact OD1-CD1 3.49Å; A116-L119 WeakPolarHBondContact O-CB 3.49Å; A116-L119 PolarHBondContact O-N 2.99Å; N117-L119 PolarHBondContact O-N 2.86Å; L119-S121 PolarHBondContact O-N 2.96Å
120V97.7Very high95.9Very high0 Ų057.1 Ų57.10%029%0.286CS..  trans-58.6123.7168.5178.60000107.6K62 N117 I125 I145 N146 A149K62-V120 HydrophobicContact CB-CG2 3.7Å; N117-V120 WeakPolarHBondContact O-CG2 3.05Å; N117-V120 PolarHBondContact O-N 2.85Å; V120-I125 HydrophobicContact CG1-CD1 4.15Å; V120-I145 HydrophobicContact CB-CB 4.21Å; V120-I145 HydrophobicContact CB-CG2 4.35Å; V120-I145 HydrophobicContact CG1-CD1 4.05Å; V120-I145 HydrophobicContact CG2-CB 4.48Å; V120-I145 HydrophobicContact CG2-CG2 4.09Å; V120-N146 WeakPolarHBondContact O-CB 3.29Å; V120-A149 HydrophobicContact CG1-CB 4.02Å
121S96.9Very high96.2Very high36 Ų3655.4 Ų55.425%0.25228%0.277SS..  trans-127.2167.2-172.669.30000111L119 K123 D124 I125L119-S121 PolarHBondContact O-N 2.96Å; S121-K123 PolarHBondContact O-N 2.99Å; S121-K123 VanDerWaalsContact O-N 3.09Å; S121-K123 PolarHBondContact OG-N 2.62Å; S121-D124 WeakPolarHBondContact CB-OD2 3.08Å; S121-D124 PolarHBondContact N-OD2 3.28Å; S121-D124 WeakPolarHBondContact O-CB 3.44Å; S121-D124 PolarHBondContact O-N 3.36Å; S121-D124 PolarHBondContact OG-OD2 2.85Å; S121-I125 PolarHBondContact O-N 3.5Å
122E98Very high96.4Very high95 Ų9552.8 Ų52.844%0.44427%0.267SS..Hα-helixtrans-53.5-31.9173-59.5-177.6-179.600112.6D124 I125 S126 Y152E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 2.97Å; E122-I125 WeakPolarHBondContact O-CB 3.19Å; E122-I125 PolarHBondContact O-N 3.48Å; E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 3.39Å; E122-S126 VanDerWaalsContact O-OG 3.09Å; E122-Y152 HydrophobicContact CB-CD1 3.84Å; E122-Y152 HydrophobicContact CB-CE1 4.17Å; E122-Y152 HydrophobicContact CB-CG 4.15Å; E122-Y152 HydrophobicContact CG-CD1 4.03Å; E122-Y152 HydrophobicContact CG-CD2 4.49Å; E122-Y152 HydrophobicContact CG-CG 3.88Å
123K98Very high96.6Very high174 Ų17448 Ų4876%0.75724%0.243SC*.Hα-helixtrans-64.7-37.3176.2-66.6-178.3-178.4175.10112.6S121 I125 F127S121-K123 PolarHBondContact O-N 2.99Å; S121-K123 VanDerWaalsContact O-N 3.09Å; S121-K123 PolarHBondContact OG-N 2.62Å; K123-I125 VanDerWaalsContact C-N 3.31Å; K123-F127 WeakPolarHBondContact O-CB 3.38Å; K123-F127 PolarHBondContact O-N 3Å
124D98.3Very high96.6Very high19 Ų1945 Ų4510%0.10222%0.224CC..Hα-helixtrans-65.9-40175.4-58.9-79.9000110.1K62 S87 S121 E122 F127 A128K62-D124 VanDerWaalsContact CE-CG 3.45Å; K62-D124 WeakPolarHBondContact CE-OD1 3.36Å; K62-D124 VanDerWaalsContact CE-OD2 3.31Å; K62-D124 WeakPolarHBondContact CE-OD2 3.08Å; K62-D124 VanDerWaalsContact NZ-CG 3.27Å; K62-D124 IonicContact NZ-OD1 2.63Å; K62-D124 PolarHBondContact NZ-OD1 3.26Å; K62-D124 IonicContact NZ-OD2 2.92Å; K62-D124 PolarHBondContact NZ-OD2 2.95Å; S87-D124 PolarHBondContact OG-OD1 3.13Å; S121-D124 WeakPolarHBondContact CB-OD2 3.08Å; S121-D124 PolarHBondContact N-OD2 3.28Å; S121-D124 WeakPolarHBondContact O-CB 3.44Å; S121-D124 PolarHBondContact O-N 3.36Å; S121-D124 PolarHBondContact OG-OD2 2.85Å; E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 2.97Å; D124-F127 PolarHBondContact O-N 3.02Å; D124-A128 PolarHBondContact O-N 3.21Å
125I98.4Very high96.7Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-66.7-46.4177.1-49.5-47.5000111.2V9 V60 V120 S121 E122 K123 F127 A128 E129 L134 A149 Y152 S153 L156V9-I125 HydrophobicContact CG1-CD1 3.37Å; V60-I125 HydrophobicContact CG1-CD1 3.83Å; V120-I125 HydrophobicContact CG1-CD1 4.15Å; S121-I125 PolarHBondContact O-N 3.5Å; E122-I125 WeakPolarHBondContact O-CB 3.19Å; E122-I125 PolarHBondContact O-N 3.48Å; K123-I125 VanDerWaalsContact C-N 3.31Å; I125-F127 PolarHBondContact O-N 3.19Å; I125-A128 PolarHBondContact O-N 2.92Å; I125-E129 PolarHBondContact O-N 3.35Å; I125-L134 HydrophobicContact CG2-CD1 3.76Å; I125-A149 HydrophobicContact CG1-CB 4.34Å; I125-Y152 HydrophobicContact CB-CD1 3.64Å; I125-Y152 HydrophobicContact CB-CE1 3.82Å; I125-Y152 HydrophobicContact CG1-CD1 4.11Å; I125-Y152 HydrophobicContact CG2-CD1 3.65Å; I125-Y152 HydrophobicContact CG2-CE1 3.82Å; I125-S153 WeakPolarHBondContact CD1-OG 3.36Å; I125-S153 WeakPolarHBondContact CG1-OG 3.47Å; I125-L156 HydrophobicContact CG2-CD2 4.22Å
126S98.2Very high96.8Very high32 Ų3246.4 Ų46.422%0.22423%0.229CC..Hα-helixtrans-63.5-31.2175.1-54.80000112.2E122 K130 Y152E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 3.39Å; E122-S126 VanDerWaalsContact O-OG 3.09Å; S126-K130 WeakPolarHBondContact O-CG 3.39Å; S126-K130 PolarHBondContact O-N 2.84Å; S126-K130 VanDerWaalsContact O-N 3.16Å; S126-Y152 PolarHBondContact OG-OH 2.99Å; S126-Y152 VanDerWaalsContact OG-OH 3.06Å
127F97.9Very high96.8Very high112 Ų11250.5 Ų50.549%0.49125%0.246SC..Hα-helixtrans-68.8-45.6173.4-179.6-104000111.3K123 D124 I125 E129 K130 L131K123-F127 WeakPolarHBondContact O-CB 3.38Å; K123-F127 PolarHBondContact O-N 3Å; D124-F127 PolarHBondContact O-N 3.02Å; I125-F127 PolarHBondContact O-N 3.19Å; F127-E129 VanDerWaalsContact C-N 3.26Å; F127-E129 PolarHBondContact O-N 3.3Å; F127-K130 WeakPolarHBondContact O-CB 3.44Å; F127-K130 PolarHBondContact O-N 2.92Å; F127-K130 VanDerWaalsContact O-N 3.13Å; F127-L131 HydrophobicContact CD1-CD1 4Å; F127-L131 HydrophobicContact CE1-CD1 3.47Å; F127-L131 VanDerWaalsContact CE1-CD1 3.47Å; F127-L131 HydrophobicContact CE1-CG 4.19Å; F127-L131 HydrophobicContact CZ-CD1 3.92Å; F127-L131 HydrophobicContact CZ-CD2 4.42Å; F127-L131 HydrophobicContact CZ-CG 4.28Å; F127-L131 PolarHBondContact O-N 3.27Å; F127-L131 VanDerWaalsContact O-N 3.13Å
128A97.2Very high96.9Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-59.8-36.5173.500000112.4V60 D124 I125 L131 T132 L133V60-A128 HydrophobicContact CB-CB 4.36Å; V60-A128 HydrophobicContact CG1-CB 3.86Å; V60-A128 HydrophobicContact CG2-CB 3.5Å; D124-A128 PolarHBondContact O-N 3.21Å; I125-A128 PolarHBondContact O-N 2.92Å; A128-L131 PolarHBondContact O-N 2.94Å; A128-T132 PolarHBondContact O-N 3.47Å; A128-L133 HydrophobicContact CB-CB 4.33Å; A128-L133 HydrophobicContact CB-CD1 4.23Å; A128-L133 WeakPolarHBondContact O-CB 3.42Å; A128-L133 PolarHBondContact O-N 3.46Å
129E96.6Very high97.1Very high59 Ų5948.7 Ų48.728%0.27624%0.237SC..Hα-helixtrans-59.5-47.9172.4-171.2-175.5-158.500111.8I125 F127 L131 T132 L134 L156 K160I125-E129 PolarHBondContact O-N 3.35Å; F127-E129 VanDerWaalsContact C-N 3.26Å; F127-E129 PolarHBondContact O-N 3.3Å; E129-L131 PolarHBondContact O-N 3.46Å; E129-T132 WeakPolarHBondContact O-CA 3.45Å; E129-T132 PolarHBondContact O-N 3Å; E129-L134 HydrophobicContact CB-CD1 3.96Å; E129-L134 HydrophobicContact CB-CG 4.37Å; E129-L156 HydrophobicContact CB-CD2 4.24Å; E129-L156 HydrophobicContact CG-CD2 4.3Å; E129-K160 IonicContact OE1-NZ 2.76Å; E129-K160 PolarHBondContact OE1-NZ 3.46Å
130K96.8Very high97.2Very high171 Ų17146.2 Ų46.274%0.74323%0.225SC*.Hα-helixtrans-60.9-29.8178-71.5171.7-176.3178.10112.6S126 F127 T132S126-K130 WeakPolarHBondContact O-CG 3.39Å; S126-K130 PolarHBondContact O-N 2.84Å; S126-K130 VanDerWaalsContact O-N 3.16Å; F127-K130 WeakPolarHBondContact O-CB 3.44Å; F127-K130 PolarHBondContact O-N 2.92Å; F127-K130 VanDerWaalsContact O-N 3.13Å; K130-T132 PolarHBondContact O-N 2.74Å
131L95.4Very high97.3Very high50 Ų5046.2 Ų46.226%0.26223%0.225SC..THydrogen-bonded Turntrans-78.95.3173.5-65.3179.9000113.4D84 F127 A128 E129 L133D84-L131 HydrophobicContact CB-CD1 4.17Å; D84-L131 WeakPolarHBondContact O-CD1 3.22Å; F127-L131 HydrophobicContact CD1-CD1 4Å; F127-L131 HydrophobicContact CE1-CD1 3.47Å; F127-L131 VanDerWaalsContact CE1-CD1 3.47Å; F127-L131 HydrophobicContact CE1-CG 4.19Å; F127-L131 HydrophobicContact CZ-CD1 3.92Å; F127-L131 HydrophobicContact CZ-CD2 4.42Å; F127-L131 HydrophobicContact CZ-CG 4.28Å; F127-L131 PolarHBondContact O-N 3.27Å; F127-L131 VanDerWaalsContact O-N 3.13Å; A128-L131 PolarHBondContact O-N 2.94Å; E129-L131 PolarHBondContact O-N 3.46Å; L131-L133 HydrophobicContact CB-CD1 4.16Å; L131-L133 HydrophobicContact CB-CG 3.88Å; L131-L133 HydrophobicContact CD1-CD1 4.21Å; L131-L133 PolarHBondContact O-N 2.91Å
132T95.3Very high97.3Very high61 Ų6144.6 Ų44.637%0.37421%0.213SC..THydrogen-bonded Turntrans62.414.9-175.669.20000114.1A128 E129 K130 L134 D135A128-T132 PolarHBondContact O-N 3.47Å; E129-T132 WeakPolarHBondContact O-CA 3.45Å; E129-T132 PolarHBondContact O-N 3Å; K130-T132 PolarHBondContact O-N 2.74Å; T132-L134 PolarHBondContact O-N 3.09Å; T132-D135 WeakPolarHBondContact O-CB 3.24Å; T132-D135 PolarHBondContact O-N 3.06Å; T132-D135 VanDerWaalsContact O-N 3.13Å
133L95.9Very high97.2Very high5 Ų540.3 Ų40.33%0.02619%0.193CC..THydrogen-bonded Turntrans-71.1-21.7179.3-59178.1000111.9T7 A58 D84 G85 A128 L131T7-L133 WeakPolarHBondContact CB-O 3.19Å; T7-L133 PolarHBondContact OG1-O 3.27Å; A58-L133 HydrophobicContact CB-CB 4.41Å; A58-L133 HydrophobicContact CB-CD2 4.02Å; D84-L133 HydrophobicContact CB-CD1 4.36Å; G85-L133 VanDerWaalsContact CA-CD1 3.49Å; G85-L133 VanDerWaalsContact N-CD1 3.31Å; A128-L133 HydrophobicContact CB-CB 4.33Å; A128-L133 HydrophobicContact CB-CD1 4.23Å; A128-L133 WeakPolarHBondContact O-CB 3.42Å; A128-L133 PolarHBondContact O-N 3.46Å; L131-L133 HydrophobicContact CB-CD1 4.16Å; L131-L133 HydrophobicContact CB-CG 3.88Å; L131-L133 HydrophobicContact CD1-CD1 4.21Å; L131-L133 PolarHBondContact O-N 2.91Å
134L95.1Very high97Very high1 Ų134 Ų341%0.00517%0.166CC..THydrogen-bonded Turntrans-92.13173.7-54.6-171.7000113.3T7 I125 E129 T132 T136 I139 L156 K160T7-L134 HydrophobicContact CG2-CD2 3.86Å; I125-L134 HydrophobicContact CG2-CD1 3.76Å; E129-L134 HydrophobicContact CB-CD1 3.96Å; E129-L134 HydrophobicContact CB-CG 4.37Å; T132-L134 PolarHBondContact O-N 3.09Å; L134-T136 PolarHBondContact O-N 3.22Å; L134-I139 HydrophobicContact CD2-CD1 4.04Å; L134-L156 HydrophobicContact CD1-CD2 3.49Å; L134-L156 VanDerWaalsContact CD1-CD2 3.49Å; L134-L156 HydrophobicContact CD1-CG 4.12Å; L134-K160 HydrophobicContact CB-CD 4.21Å; L134-K160 WeakPolarHBondContact O-CE 3.31Å
135D95.3Very high96.9Very high56 Ų5633.1 Ų33.130%0.29916%0.161SC..  trans-8263.6168.9-66.1-6.1000109.2T132 K160T132-D135 WeakPolarHBondContact O-CB 3.24Å; T132-D135 PolarHBondContact O-N 3.06Å; T132-D135 VanDerWaalsContact O-N 3.13Å; D135-K160 WeakPolarHBondContact OD1-CE 3.21Å; D135-K160 IonicContact OD1-NZ 2.67Å; D135-K160 PolarHBondContact OD1-NZ 3.38Å
136T96.7Very high96.7Very high15 Ų1535.6 Ų35.69%0.09217%0.174CC..SBendtrans-122.7165.4-169.3-1720000111.1S4 H5 V6 T7 L134 V138 I139 A162S4-T136 WeakPolarHBondContact O-CA 3.12Å; S4-T136 PolarHBondContact O-OG1 3.39Å; H5-T136 PolarHBondContact O-OG1 3.3Å; V6-T136 WeakPolarHBondContact CA-OG1 3.27Å; V6-T136 PolarHBondContact N-OG1 2.67Å; T7-T136 PolarHBondContact N-OG1 2.94Å; L134-T136 PolarHBondContact O-N 3.22Å; T136-V138 VanDerWaalsContact CG2-O 3.25Å; T136-V138 WeakPolarHBondContact CG2-O 3.4Å; T136-V138 PolarHBondContact OG1-O 3.15Å; T136-I139 HydrophobicContact CG2-CD1 4.3Å; T136-I139 HydrophobicContact CG2-CG1 3.57Å; T136-A162 HydrophobicContact CG2-CB 4.29Å; T136-A162 WeakPolarHBondContact O-CB 3.4Å
137K97.8Very high96.5Very high85 Ų8534.7 Ų34.737%0.3717%0.168SC..SBendtrans-85.7-32174.6-65.7-176.4174-165.50112.3H5 A162 K163 A315 E318H5-K137 WeakPolarHBondContact O-CB 3.37Å; H5-K137 PolarHBondContact O-N 3.47Å; H5-K137 VanDerWaalsContact O-N 3.12Å; K137-A162 CarbonylContact O-C 3.52Å; K137-A162 WeakPolarHBondContact O-CA 3.47Å; K137-K163 PolarHBondContact O-N 2.93Å; K137-A315 HydrophobicContact CB-CB 4.06Å; K137-A315 HydrophobicContact CD-CB 4.45Å; K137-A315 WeakPolarHBondContact CD-O 3.42Å; K137-A315 PolarHBondContact NZ-O 2.88Å; K137-E318 IonicContact NZ-OE1 3.22Å; K137-E318 PolarHBondContact NZ-OE1 2.71Å
138V98.6Very high96.4Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-133.1135.3-179.1178.70000110.5H5 V6 T7 T136 V140 K163 I165 A311 V314 A315H5-V138 PolarHBondContact O-N 3.44Å; H5-V138 VanDerWaalsContact O-N 3.08Å; V6-V138 WeakPolarHBondContact CA-O 3.36Å; V6-V138 HydrophobicContact CG2-CB 4.22Å; T7-V138 PolarHBondContact N-O 2.76Å; T136-V138 VanDerWaalsContact CG2-O 3.25Å; T136-V138 WeakPolarHBondContact CG2-O 3.4Å; T136-V138 PolarHBondContact OG1-O 3.15Å; V138-V140 HydrophobicContact CG1-CG2 3.94Å; V138-K163 CarbonylContact C-O 3.37Å; V138-K163 VanDerWaalsContact CA-O 3.3Å; V138-K163 WeakPolarHBondContact CA-O 3.46Å; V138-K163 HydrophobicContact CG2-CB 4.25Å; V138-I165 HydrophobicContact CG1-CD1 3.72Å; V138-I165 HydrophobicContact CG1-CG1 3.99Å; V138-A311 HydrophobicContact CG1-CB 4Å; V138-V314 HydrophobicContact CG2-CB 4.07Å; V138-V314 HydrophobicContact CG2-CG1 3.67Å; V138-A315 HydrophobicContact CB-CB 4.37Å; V138-A315 HydrophobicContact CG2-CB 3.69Å
139I98.6Very high96.4Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-110.4132.3165-63-167.3000109.4T7 V9 L134 T136 A162 K163 T164 I165T7-I139 VanDerWaalsContact O-CA 3.28Å; T7-I139 WeakPolarHBondContact O-CA 3.42Å; V9-I139 HydrophobicContact CG2-CG2 4.3Å; L134-I139 HydrophobicContact CD2-CD1 4.04Å; T136-I139 HydrophobicContact CG2-CD1 4.3Å; T136-I139 HydrophobicContact CG2-CG1 3.57Å; I139-A162 HydrophobicContact CG1-CB 4.17Å; I139-K163 PolarHBondContact N-O 2.92Å; I139-T164 WeakPolarHBondContact O-CA 3.39Å; I139-I165 PolarHBondContact O-N 2.96Å
140V98.9Very high96.4Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-117.9130.8176.5-166.20000109.8V6 T7 V8 V9 Q46 V138 I165 V307 A311V6-V140 HydrophobicContact CG1-CG2 4.08Å; T7-V140 PolarHBondContact O-N 3.3Å; V8-V140 WeakPolarHBondContact CA-O 3.43Å; V8-V140 HydrophobicContact CG1-CB 4.26Å; V8-V140 HydrophobicContact CG2-CB 4.1Å; V8-V140 HydrophobicContact CG2-CG2 4.29Å; V9-V140 PolarHBondContact N-O 3.02Å; Q46-V140 VanDerWaalsContact OE1-CG1 3.25Å; V138-V140 HydrophobicContact CG1-CG2 3.94Å; V140-I165 CarbonylContact C-O 3.58Å; V140-I165 WeakPolarHBondContact CA-O 3.29Å; V140-I165 HydrophobicContact CG1-CB 4.24Å; V140-I165 HydrophobicContact CG1-CG2 4.28Å; V140-I165 HydrophobicContact CG2-CB 4.33Å; V140-I165 HydrophobicContact CG2-CD1 4.46Å; V140-V307 HydrophobicContact CG1-CG1 3.8Å; V140-A311 HydrophobicContact CG2-CB 3.57Å
141C98.7Very high96.5Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-129158.2175.5-65.50000111.8T150 L154 I165 L166 N167C141-T150 HydrophobicContact CB-CG2 3.94Å; C141-L154 HydrophobicContact CB-CD2 4.26Å; C141-L154 HydrophobicContact CB-CG 4.43Å; C141-I165 PolarHBondContact N-O 3.49Å; C141-L166 HydrophobicContact CB-CD1 4.34Å; C141-L166 WeakPolarHBondContact O-CA 3.46Å; C141-N167 PolarHBondContact O-N 3.03Å
142Q97.7Very high96.6Very high1 Ų121.6 Ų21.61%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-135.1178.8173.2-45.177.236.800110K42 E144 T150 N167K42-Q142 HydrophobicContact CB-CB 4.37Å; K42-Q142 HydrophobicContact CB-CG 3.91Å; Q142-E144 VanDerWaalsContact C-N 3.35Å; Q142-T150 PolarHBondContact O-OG1 3.28Å; Q142-N167 VanDerWaalsContact CA-O 3.24Å; Q142-N167 WeakPolarHBondContact CA-O 3.39Å; Q142-N167 HydrophobicContact CG-CB 4.21Å
143F95.6Very high96.8Very high5 Ų518.7 Ų18.72%0.0229%0.094CC..SBendtrans-97.228.4178.6-69.1-22.9000113.6T150 L166 P168 A169 P170 P172 N183 M187 I190F143-T150 HydrophobicContact CD1-CG2 4.35Å; F143-T150 HydrophobicContact CE1-CG2 4.23Å; F143-L166 HydrophobicContact CD1-CD1 4.17Å; F143-L166 HydrophobicContact CE1-CD1 3.7Å; F143-L166 HydrophobicContact CE1-CD2 4.15Å; F143-L166 HydrophobicContact CE1-CG 4.47Å; F143-L166 HydrophobicContact CZ-CD1 4.12Å; F143-L166 HydrophobicContact CZ-CD2 3.83Å; F143-L166 HydrophobicContact CZ-CG 4.43Å; F143-P168 VanDerWaalsContact CD2-CA 3.49Å; F143-P168 HydrophobicContact CD2-CB 3.85Å; F143-P168 HydrophobicContact CE2-CB 3.35Å; F143-P168 HydrophobicContact CZ-CB 4.03Å; F143-A169 WeakPolarHBondContact CA-O 3.37Å; F143-A169 PolarHBondContact N-O 3.4Å; F143-P170 WeakPolarHBondContact O-CD 3.3Å; F143-P172 HydrophobicContact CD2-CB 4.3Å; F143-P172 HydrophobicContact CD2-CG 4.35Å; F143-P172 HydrophobicContact CE2-CB 4.12Å; F143-P172 HydrophobicContact CE2-CG 3.93Å; F143-N183 HydrophobicContact CB-CB 4.35Å; F143-N183 HydrophobicContact CD1-CB 4.2Å; F143-N183 WeakPolarHBondContact CD1-OD1 3.28Å; F143-N183 HydrophobicContact CD2-CB 4.1Å; F143-N183 HydrophobicContact CE2-CB 4.46Å; F143-N183 HydrophobicContact CG-CB 3.98Å; F143-N183 PolarHBondContact O-ND2 3Å; F143-M187 HydrophobicContact CE2-CE 3.53Å; F143-M187 HydrophobicContact CE2-SD 4.23Å; F143-M187 HydrophobicContact CZ-CE 3.55Å; F143-M187 HydrophobicContact CZ-SD 3.93Å; F143-I190 HydrophobicContact CE1-CD1 3.99Å; F143-I190 HydrophobicContact CE1-CG2 4.24Å; F143-I190 HydrophobicContact CZ-CG2 4.36Å
144E94.6Very high96.9Very high43 Ų4318.5 Ų18.520%0.2019%0.093CC..SBendtrans-10112.3178.4-64.4-168.5154.200113.7S11 K42 Q142S11-E144 WeakPolarHBondContact CB-OE2 3.49Å; S11-E144 WeakPolarHBondContact OG-CB 3.31Å; S11-E144 PolarHBondContact OG-OE2 3.15Å; K42-E144 WeakPolarHBondContact CB-OE2 3.44Å; K42-E144 HydrophobicContact CD-CG 4.14Å; K42-E144 WeakPolarHBondContact CD-OE1 3.42Å; K42-E144 VanDerWaalsContact CE-OE1 3.24Å; K42-E144 WeakPolarHBondContact CE-OE1 3.32Å; K42-E144 WeakPolarHBondContact CG-OE1 3.45Å; K42-E144 PolarHBondContact N-OE2 3.33Å; Q142-E144 VanDerWaalsContact C-N 3.35Å
145I95.5Very high97.1Very high0 Ų023.7 Ų23.70%011%0.113CC..SBendtrans-133.6178.4176.263.5168.8000110.3V9 N117 V120 P147 A149 T150V9-I145 HydrophobicContact CG1-CD1 3.81Å; N117-I145 HydrophobicContact CB-CG2 4.47Å; V120-I145 HydrophobicContact CB-CB 4.21Å; V120-I145 HydrophobicContact CB-CG2 4.35Å; V120-I145 HydrophobicContact CG1-CD1 4.05Å; V120-I145 HydrophobicContact CG2-CB 4.48Å; V120-I145 HydrophobicContact CG2-CG2 4.09Å; I145-P147 WeakPolarHBondContact O-CD 3.29Å; I145-A149 HydrophobicContact CD1-CB 4.31Å; I145-T150 WeakPolarHBondContact CG1-OG1 3.41Å
146N94Very high97.2Very high51 Ų5122.1 Ų22.127%0.27310%0.104SC..  trans-53.8125.3175.6-167.9-52.4000111.7V120 S148 A149 T150V120-N146 WeakPolarHBondContact O-CB 3.29Å; N146-S148 VanDerWaalsContact C-N 3.25Å; N146-S148 PolarHBondContact O-N 3.35Å; N146-S148 WeakPolarHBondContact OD1-CB 3.4Å; N146-S148 PolarHBondContact OD1-N 3.5Å; N146-S148 PolarHBondContact OD1-OG 2.86Å; N146-A149 HydrophobicContact CB-CB 4.28Å; N146-A149 WeakPolarHBondContact O-CB 3.2Å; N146-A149 PolarHBondContact O-N 2.84Å; N146-T150 PolarHBondContact O-N 3.28Å; N146-T150 VanDerWaalsContact O-N 3.15Å
147P94.4Very high97.2Very high13 Ų1321.4 Ų21.48%0.08410%0.1CC..Hα-helixtrans-55.7-36.2-178-27.534000114.2I145 A149 T150 L151 G182 N183 L186I145-P147 WeakPolarHBondContact O-CD 3.29Å; P147-A149 VanDerWaalsContact C-N 3.33Å; P147-A149 PolarHBondContact O-N 2.83Å; P147-T150 WeakPolarHBondContact O-CB 3.22Å; P147-T150 PolarHBondContact O-N 3.48Å; P147-L151 PolarHBondContact O-N 2.68Å; P147-G182 WeakPolarHBondContact CB-O 3.42Å; P147-N183 WeakPolarHBondContact CG-OD1 3.42Å; P147-L186 HydrophobicContact CB-CD1 3.7Å; P147-L186 HydrophobicContact CB-CG 4.41Å
148S95.5Very high97.1Very high39 Ų3922.4 Ų22.427%0.27310%0.101SC..Hα-helixtrans-63.8-38.417763.70000112.1N146 L151 Y152N146-S148 VanDerWaalsContact C-N 3.25Å; N146-S148 PolarHBondContact O-N 3.35Å; N146-S148 WeakPolarHBondContact OD1-CB 3.4Å; N146-S148 PolarHBondContact OD1-N 3.5Å; N146-S148 PolarHBondContact OD1-OG 2.86Å; S148-L151 PolarHBondContact O-N 2.88Å; S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.48Å; S148-Y152 PolarHBondContact O-N 3.1Å
149A97.4Very high97.1Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-69.7-37.6176.700000111.6V120 I125 I145 N146 P147 S153V120-A149 HydrophobicContact CG1-CB 4.02Å; I125-A149 HydrophobicContact CG1-CB 4.34Å; I145-A149 HydrophobicContact CD1-CB 4.31Å; N146-A149 HydrophobicContact CB-CB 4.28Å; N146-A149 WeakPolarHBondContact O-CB 3.2Å; N146-A149 PolarHBondContact O-N 2.84Å; P147-A149 VanDerWaalsContact C-N 3.33Å; P147-A149 PolarHBondContact O-N 2.83Å; A149-S153 VanDerWaalsContact O-CB 3.3Å; A149-S153 WeakPolarHBondContact O-CB 3.31Å; A149-S153 PolarHBondContact O-N 3.04Å; A149-S153 PolarHBondContact O-OG 3.43Å
150T97.6Very high97Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-59.9-52.6172.5-66.90000111C141 Q142 F143 I145 N146 P147 Y152 S153 L154 L166 I190C141-T150 HydrophobicContact CB-CG2 3.94Å; Q142-T150 PolarHBondContact O-OG1 3.28Å; F143-T150 HydrophobicContact CD1-CG2 4.35Å; F143-T150 HydrophobicContact CE1-CG2 4.23Å; I145-T150 WeakPolarHBondContact CG1-OG1 3.41Å; N146-T150 PolarHBondContact O-N 3.28Å; N146-T150 VanDerWaalsContact O-N 3.15Å; P147-T150 WeakPolarHBondContact O-CB 3.22Å; P147-T150 PolarHBondContact O-N 3.48Å; T150-Y152 VanDerWaalsContact C-N 3.35Å; T150-Y152 PolarHBondContact O-N 2.99Å; T150-S153 PolarHBondContact O-N 2.82Å; T150-L154 HydrophobicContact CG2-CD1 3.98Å; T150-L154 WeakPolarHBondContact O-CG 3.02Å; T150-L154 PolarHBondContact O-N 2.89Å; T150-L154 VanDerWaalsContact O-N 3.09Å; T150-L166 HydrophobicContact CG2-CD1 4.33Å; T150-I190 HydrophobicContact CG2-CD1 4.44Å
151L97.9Very high96.8Very high15 Ų1533.4 Ų33.48%0.07918%0.184CC..Hα-helixtrans-57.8-47.1178.1176.257.7000112.1P147 S148 S153 L154 R155 L186 D189 I190P147-L151 PolarHBondContact O-N 2.68Å; S148-L151 PolarHBondContact O-N 2.88Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.93Å; L151-L154 PolarHBondContact O-N 2.87Å; L151-R155 HydrophobicContact CD1-CG 4.17Å; L151-R155 WeakPolarHBondContact O-CB 3.33Å; L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.13Å; L151-L186 HydrophobicContact CD2-CD1 4.42Å; L151-D189 HydrophobicContact CD1-CB 3.9Å; L151-D189 VanDerWaalsContact CD1-O 3.22Å; L151-D189 WeakPolarHBondContact CD1-O 3.37Å; L151-D189 HydrophobicContact CD2-CB 3.72Å; L151-D189 HydrophobicContact CG-CB 4.48Å; L151-I190 HydrophobicContact CB-CG1 3.93Å; L151-I190 HydrophobicContact CD1-CG1 3.96Å; L151-I190 HydrophobicContact CG-CG1 4.46Å
152Y98.4Very high96.8Very high64 Ų6433.6 Ų33.625%0.25119%0.185SC..Hα-helixtrans-63.3-40.4-179.8-176.7-112.7000112.1E122 I125 S126 S148 T150 R155 L156E122-Y152 HydrophobicContact CB-CD1 3.84Å; E122-Y152 HydrophobicContact CB-CE1 4.17Å; E122-Y152 HydrophobicContact CB-CG 4.15Å; E122-Y152 HydrophobicContact CG-CD1 4.03Å; E122-Y152 HydrophobicContact CG-CD2 4.49Å; E122-Y152 HydrophobicContact CG-CG 3.88Å; I125-Y152 HydrophobicContact CB-CD1 3.64Å; I125-Y152 HydrophobicContact CB-CE1 3.82Å; I125-Y152 HydrophobicContact CG1-CD1 4.11Å; I125-Y152 HydrophobicContact CG2-CD1 3.65Å; I125-Y152 HydrophobicContact CG2-CE1 3.82Å; S126-Y152 PolarHBondContact OG-OH 2.99Å; S126-Y152 VanDerWaalsContact OG-OH 3.06Å; S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.48Å; S148-Y152 PolarHBondContact O-N 3.1Å; T150-Y152 VanDerWaalsContact C-N 3.35Å; T150-Y152 PolarHBondContact O-N 2.99Å; Y152-R155 PolarHBondContact O-N 2.94Å; Y152-L156 HydrophobicContact CE1-CD2 4.17Å; Y152-L156 VanDerWaalsContact O-CB 3.24Å; Y152-L156 WeakPolarHBondContact O-CB 3.33Å; Y152-L156 PolarHBondContact O-N 3.23Å
153S98.5Very high96.8Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-62.2-45176.9-59.80000112.4I125 A149 T150 L151 L156 G157I125-S153 WeakPolarHBondContact CD1-OG 3.36Å; I125-S153 WeakPolarHBondContact CG1-OG 3.47Å; A149-S153 VanDerWaalsContact O-CB 3.3Å; A149-S153 WeakPolarHBondContact O-CB 3.31Å; A149-S153 PolarHBondContact O-N 3.04Å; A149-S153 PolarHBondContact O-OG 3.43Å; T150-S153 PolarHBondContact O-N 2.82Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.93Å; S153-L156 PolarHBondContact O-N 2.88Å; S153-G157 PolarHBondContact O-N 3.01Å
154L98.5Very high97Very high0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-66.1-45.6178.8-66166.3000111.4C141 T150 L151 L156 G157 R158 T164 I190 N193C141-L154 HydrophobicContact CB-CD2 4.26Å; C141-L154 HydrophobicContact CB-CG 4.43Å; T150-L154 HydrophobicContact CG2-CD1 3.98Å; T150-L154 WeakPolarHBondContact O-CG 3.02Å; T150-L154 PolarHBondContact O-N 2.89Å; T150-L154 VanDerWaalsContact O-N 3.09Å; L151-L154 PolarHBondContact O-N 2.87Å; L154-L156 PolarHBondContact O-N 3.46Å; L154-G157 PolarHBondContact O-N 2.98Å; L154-R158 WeakPolarHBondContact O-CB 3.35Å; L154-R158 PolarHBondContact O-N 3.35Å; L154-T164 HydrophobicContact CD2-CG2 4.09Å; L154-I190 HydrophobicContact CD1-CG2 3.77Å; L154-N193 HydrophobicContact CB-CB 3.9Å
155R98.1Very high97.2Very high110 Ų11035.6 Ų35.642%0.41519%0.193SC..Hα-helixtrans-58.9-47.5175.9-78179.4175172.81.6111.6L151 Y152 R158 A159 D189 N193L151-R155 HydrophobicContact CD1-CG 4.17Å; L151-R155 WeakPolarHBondContact O-CB 3.33Å; L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.13Å; Y152-R155 PolarHBondContact O-N 2.94Å; R155-R158 PolarHBondContact O-N 3.35Å; R155-A159 WeakPolarHBondContact O-CB 3.47Å; R155-A159 PolarHBondContact O-N 3.08Å; R155-D189 IonicContact NH2-OD1 2.91Å; R155-D189 PolarHBondContact NH2-OD1 3.16Å; R155-N193 HydrophobicContact CG-CB 4.43Å; R155-N193 WeakPolarHBondContact CG-OD1 3.45Å
156L97.9Very high97.3Very high23 Ų2335.6 Ų35.612%0.1219%0.193CC..Hα-helixtrans-68.2-42.1-178.3-174.655.6000112I125 E129 L134 Y152 S153 L154 R158 A159 K160I125-L156 HydrophobicContact CG2-CD2 4.22Å; E129-L156 HydrophobicContact CB-CD2 4.24Å; E129-L156 HydrophobicContact CG-CD2 4.3Å; L134-L156 HydrophobicContact CD1-CD2 3.49Å; L134-L156 VanDerWaalsContact CD1-CD2 3.49Å; L134-L156 HydrophobicContact CD1-CG 4.12Å; Y152-L156 HydrophobicContact CE1-CD2 4.17Å; Y152-L156 VanDerWaalsContact O-CB 3.24Å; Y152-L156 WeakPolarHBondContact O-CB 3.33Å; Y152-L156 PolarHBondContact O-N 3.23Å; S153-L156 PolarHBondContact O-N 2.88Å; L154-L156 PolarHBondContact O-N 3.46Å; L156-R158 PolarHBondContact O-N 3.42Å; L156-A159 PolarHBondContact O-N 2.9Å; L156-K160 HydrophobicContact CD1-CD 4.09Å; L156-K160 HydrophobicContact CD1-CG 4.36Å; L156-K160 HydrophobicContact CG-CD 4.09Å; L156-K160 WeakPolarHBondContact O-CG 3.46Å; L156-K160 PolarHBondContact O-N 3.21Å
157G96.9Very high97.5Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-55-51.2173.700000112.4S153 L154 A159 K160 G161 A162S153-G157 PolarHBondContact O-N 3.01Å; L154-G157 PolarHBondContact O-N 2.98Å; G157-A159 PolarHBondContact O-N 2.87Å; G157-K160 CarbonylContact O-C 3.49Å; G157-K160 PolarHBondContact O-N 2.92Å; G157-K160 VanDerWaalsContact O-N 3.13Å; G157-G161 PolarHBondContact O-N 2.84Å; G157-G161 VanDerWaalsContact O-N 3.15Å; G157-A162 WeakPolarHBondContact O-CB 3.47Å; G157-A162 PolarHBondContact O-N 2.98Å
158R96.4Very high97.6Very high107 Ų10733 Ų3340%0.40418%0.179SC..Hα-helixtrans-60.8-44.4177.9-173.4179-176.787.3-7.6112.1L154 R155 L156 K160 G161 T164 D195L154-R158 WeakPolarHBondContact O-CB 3.35Å; L154-R158 PolarHBondContact O-N 3.35Å; R155-R158 PolarHBondContact O-N 3.35Å; L156-R158 PolarHBondContact O-N 3.42Å; R158-K160 PolarHBondContact O-N 2.93Å; R158-G161 PolarHBondContact O-N 3.16Å; R158-T164 HydrophobicContact CB-CG2 4.48Å; R158-D195 IonicContact NH1-OD1 3.06Å; R158-D195 PolarHBondContact NH1-OD1 2.98Å
159A97.4Very high97.5Very high85 Ų8531.1 Ų31.170%0.70217%0.166SC*.Hα-helixtrans-61-30.2177.400000112.7R155 L156 G157 G161R155-A159 WeakPolarHBondContact O-CB 3.47Å; R155-A159 PolarHBondContact O-N 3.08Å; L156-A159 PolarHBondContact O-N 2.9Å; G157-A159 PolarHBondContact O-N 2.87Å; A159-G161 VanDerWaalsContact C-N 3.33Å
160K96.5Very high97.2Very high78 Ų7833.6 Ų33.634%0.33918%0.182SC..THydrogen-bonded Turntrans-87.10.5175.4-65.517374.986.40113.7E129 L134 D135 L156 G157 R158E129-K160 IonicContact OE1-NZ 2.76Å; E129-K160 PolarHBondContact OE1-NZ 3.46Å; L134-K160 HydrophobicContact CB-CD 4.21Å; L134-K160 WeakPolarHBondContact O-CE 3.31Å; D135-K160 WeakPolarHBondContact OD1-CE 3.21Å; D135-K160 IonicContact OD1-NZ 2.67Å; D135-K160 PolarHBondContact OD1-NZ 3.38Å; L156-K160 HydrophobicContact CD1-CD 4.09Å; L156-K160 HydrophobicContact CD1-CG 4.36Å; L156-K160 HydrophobicContact CG-CD 4.09Å; L156-K160 WeakPolarHBondContact O-CG 3.46Å; L156-K160 PolarHBondContact O-N 3.21Å; G157-K160 CarbonylContact O-C 3.49Å; G157-K160 PolarHBondContact O-N 2.92Å; G157-K160 VanDerWaalsContact O-N 3.13Å; R158-K160 PolarHBondContact O-N 2.93Å
161G96.5Very high96.8Very high67 Ų6734.8 Ų34.869%0.69119%0.192SC*.THydrogen-bonded Turntrans83.48.7178.700000115.2G157 R158 A159G157-G161 PolarHBondContact O-N 2.84Å; G157-G161 VanDerWaalsContact O-N 3.15Å; R158-G161 PolarHBondContact O-N 3.16Å; A159-G161 VanDerWaalsContact C-N 3.33Å
162A97.9Very high96.1Very high4 Ų434.1 Ų34.13%0.03319%0.188CC..  trans-72.7147.1172.500000110.7T136 K137 I139 G157T136-A162 HydrophobicContact CG2-CB 4.29Å; T136-A162 WeakPolarHBondContact O-CB 3.4Å; K137-A162 CarbonylContact O-C 3.52Å; K137-A162 WeakPolarHBondContact O-CA 3.47Å; I139-A162 HydrophobicContact CG1-CB 4.17Å; G157-A162 WeakPolarHBondContact O-CB 3.47Å; G157-A162 PolarHBondContact O-N 2.98Å
163K98.3Very high95.3Very high91 Ų9133.5 Ų33.540%0.39619%0.191SC..EExtended strand (participates in β ladder)trans-71.1141165-61.6-65.8-173.5173.60109.7K137 V138 I139 D195 F196 V314K137-K163 PolarHBondContact O-N 2.93Å; V138-K163 CarbonylContact C-O 3.37Å; V138-K163 VanDerWaalsContact CA-O 3.3Å; V138-K163 WeakPolarHBondContact CA-O 3.46Å; V138-K163 HydrophobicContact CG2-CB 4.25Å; I139-K163 PolarHBondContact N-O 2.92Å; K163-D195 VanDerWaalsContact CA-OD2 3.3Å; K163-D195 WeakPolarHBondContact CA-OD2 3.49Å; K163-F196 HydrophobicContact CB-CE2 4.27Å; K163-V314 HydrophobicContact CB-CG1 4.11Å; K163-V314 HydrophobicContact CG-CG1 3.97Å
164T98.7Very high94.2Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-113.3128.2-178.9510000111.7I139 L154 R158 N193 C194 D195 F196I139-T164 WeakPolarHBondContact O-CA 3.39Å; L154-T164 HydrophobicContact CD2-CG2 4.09Å; R158-T164 HydrophobicContact CB-CG2 4.48Å; T164-N193 WeakPolarHBondContact CB-O 3.46Å; T164-N193 PolarHBondContact OG1-O 3.34Å; T164-C194 VanDerWaalsContact OG1-CA 3.29Å; T164-C194 WeakPolarHBondContact OG1-CA 3.49Å; T164-D195 PolarHBondContact N-OD2 3.45Å; T164-D195 PolarHBondContact O-N 3.17Å; T164-D195 PolarHBondContact OG1-N 2.68Å; T164-D195 PolarHBondContact OG1-OD2 3.4Å; T164-F196 PolarHBondContact O-N 3.47Å
165I98.8Very high92.8Very high0 Ų040.7 Ų40.70%024%0.244CC..EExtended strand (participates in β ladder)trans-116.8126.8176.3-54.4-179.6000108.4V138 I139 V140 C141 F196 V307 L310 A311V138-I165 HydrophobicContact CG1-CD1 3.72Å; V138-I165 HydrophobicContact CG1-CG1 3.99Å; I139-I165 PolarHBondContact O-N 2.96Å; V140-I165 CarbonylContact C-O 3.58Å; V140-I165 WeakPolarHBondContact CA-O 3.29Å; V140-I165 HydrophobicContact CG1-CB 4.24Å; V140-I165 HydrophobicContact CG1-CG2 4.28Å; V140-I165 HydrophobicContact CG2-CB 4.33Å; V140-I165 HydrophobicContact CG2-CD1 4.46Å; C141-I165 PolarHBondContact N-O 3.49Å; I165-F196 WeakPolarHBondContact CA-O 3.38Å; I165-F196 HydrophobicContact CB-CB 4.37Å; I165-F196 HydrophobicContact CD1-CD2 4.44Å; I165-F196 HydrophobicContact CG1-CB 4.03Å; I165-F196 HydrophobicContact CG1-CD2 3.74Å; I165-F196 HydrophobicContact CG1-CG 4.18Å; I165-F196 HydrophobicContact CG2-CB 4.22Å; I165-V307 HydrophobicContact CG2-CG1 4.01Å; I165-L310 HydrophobicContact CD1-CD2 4.44Å; I165-L310 HydrophobicContact CD1-CG 4.34Å; I165-A311 HydrophobicContact CD1-CB 3.9Å
166L98.7Very high91.3Very high0 Ų038.3 Ų38.30%025%0.254CS..EExtended strand (participates in β ladder)trans-112.2125.2170.7175.968.3000109.6C141 F143 T150 P168 I190 L191 C194 F196 V197 C198C141-L166 HydrophobicContact CB-CD1 4.34Å; C141-L166 WeakPolarHBondContact O-CA 3.46Å; F143-L166 HydrophobicContact CD1-CD1 4.17Å; F143-L166 HydrophobicContact CE1-CD1 3.7Å; F143-L166 HydrophobicContact CE1-CD2 4.15Å; F143-L166 HydrophobicContact CE1-CG 4.47Å; F143-L166 HydrophobicContact CZ-CD1 4.12Å; F143-L166 HydrophobicContact CZ-CD2 3.83Å; F143-L166 HydrophobicContact CZ-CG 4.43Å; T150-L166 HydrophobicContact CG2-CD1 4.33Å; L166-P168 HydrophobicContact CD2-CB 4.35Å; L166-P168 HydrophobicContact CG-CB 4.36Å; L166-P168 WeakPolarHBondContact O-CD 3.46Å; L166-I190 HydrophobicContact CD2-CG2 3.6Å; L166-L191 HydrophobicContact CD2-CD2 4.09Å; L166-C194 HydrophobicContact CB-CB 4.41Å; L166-C194 VanDerWaalsContact CB-SG 3.57Å; L166-F196 PolarHBondContact N-O 3.41Å; L166-V197 HydrophobicContact CB-CG2 4.33Å; L166-V197 CarbonylContact O-C 3.51Å; L166-V197 VanDerWaalsContact O-CA 3.31Å; L166-V197 WeakPolarHBondContact O-CA 3.5Å; L166-C198 PolarHBondContact O-N 3.48Å
167N98.3Very high89.9Confident10 Ų1040.9 Ų40.95%0.05327%0.268CS..EExtended strand (participates in β ladder)trans-100.6103.1160.6167.9-135000107.8Q46 C141 Q142 A169 C198 V307Q46-N167 PolarHBondContact NE2-OD1 3.18Å; C141-N167 PolarHBondContact O-N 3.03Å; Q142-N167 VanDerWaalsContact CA-O 3.24Å; Q142-N167 WeakPolarHBondContact CA-O 3.39Å; Q142-N167 HydrophobicContact CG-CB 4.21Å; N167-A169 PolarHBondContact O-N 3.31Å; N167-A169 WeakPolarHBondContact OD1-CB 3.46Å; N167-C198 PolarHBondContact ND2-O 2.94Å; N167-V307 HydrophobicContact CB-CG1 4.31Å; N167-V307 HydrophobicContact CB-CG2 4.13Å
168P95.8Very high88.3Confident0 Ų045.8 Ų45.80%030%0.3CS..  trans-78.158.9-170.434.2-37000111.6F143 L166 P170 V197 P199 E203 I207F143-P168 VanDerWaalsContact CD2-CA 3.49Å; F143-P168 HydrophobicContact CD2-CB 3.85Å; F143-P168 HydrophobicContact CE2-CB 3.35Å; F143-P168 HydrophobicContact CZ-CB 4.03Å; L166-P168 HydrophobicContact CD2-CB 4.35Å; L166-P168 HydrophobicContact CG-CB 4.36Å; L166-P168 WeakPolarHBondContact O-CD 3.46Å; P168-P170 CarbonylContact O-C 3.56Å; P168-V197 HydrophobicContact CG-CG1 3.99Å; P168-P199 HydrophobicContact CG-CB 3.72Å; P168-E203 HydrophobicContact CG-CB 4.45Å; P168-E203 WeakPolarHBondContact O-CG 3.45Å; P168-I207 HydrophobicContact CB-CG2 4.03Å; P168-I207 HydrophobicContact CG-CD1 4.16Å; P168-I207 HydrophobicContact CG-CG2 4.26Å
169A93.8Very high86.8Confident0 Ų044.3 Ų44.30%030%0.298CS..  trans-123.4132-173.400000109.8K42 F143 N167 E203K42-A169 HydrophobicContact CD-CB 3.54Å; K42-A169 VanDerWaalsContact CE-CB 3.48Å; F143-A169 WeakPolarHBondContact CA-O 3.37Å; F143-A169 PolarHBondContact N-O 3.4Å; N167-A169 PolarHBondContact O-N 3.31Å; N167-A169 WeakPolarHBondContact OD1-CB 3.46Å; A169-E203 WeakPolarHBondContact CB-OE1 3.37Å
170P90.3Very high85.2Confident51 Ų5142.6 Ų42.633%0.33128%0.276SS..SBendcis-63.6162.1-4.130.6-37.9000113F143 P168F143-P170 WeakPolarHBondContact O-CD 3.3Å; P168-P170 CarbonylContact O-C 3.56Å
171A88.5Confident84.2Confident26 Ų2641.3 Ų41.322%0.21527%0.273CS..PPolyproline II helixtrans-55.5127.7179.700000111V173 E203A171-V173 PolarHBondContact O-N 2.97Å; A171-E203 HydrophobicContact CB-CB 4.47Å; A171-E203 HydrophobicContact CB-CG 3.9Å
172P85Confident83.6Confident1 Ų138.8 Ų38.81%0.00625%0.247CC..PPolyproline II helixtrans-73.9118.7178.131.4-35.6000109.6F143 N183 M187 S206 I207F143-P172 HydrophobicContact CD2-CB 4.3Å; F143-P172 HydrophobicContact CD2-CG 4.35Å; F143-P172 HydrophobicContact CE2-CB 4.12Å; F143-P172 HydrophobicContact CE2-CG 3.93Å; P172-N183 HydrophobicContact CB-CB 4.21Å; P172-M187 HydrophobicContact CB-CE 3.4Å; P172-M187 HydrophobicContact CG-CE 3.32Å; P172-S206 PolarHBondContact O-OG 3.34Å; P172-I207 HydrophobicContact CG-CG2 3.46Å; P172-I207 VanDerWaalsContact CG-CG2 3.46Å
173V81.1Confident83.1Confident51 Ų5138.7 Ų38.731%0.30925%0.246SC..  trans-116.2142.6-178.4-67.80000111.8A171 S175 I180A171-V173 PolarHBondContact O-N 2.97Å; V173-S175 WeakPolarHBondContact CG2-O 3.37Å; V173-S175 PolarHBondContact O-N 2.82Å; V173-I180 HydrophobicContact CG2-CB 4.43Å; V173-I180 HydrophobicContact CG2-CG2 3.57Å
174A75.1Confident82.6Confident52 Ų5238.4 Ų38.443%0.4324%0.243SC..SBendtrans-68.4-10.7179.500000114.2L181 Y184A174-L181 WeakPolarHBondContact O-CD1 3.11Å; A174-Y184 HydrophobicContact CB-CD1 4.09Å; A174-Y184 HydrophobicContact CB-CD2 4.16Å; A174-Y184 HydrophobicContact CB-CE1 3.67Å; A174-Y184 HydrophobicContact CB-CE2 3.75Å; A174-Y184 HydrophobicContact CB-CG 4.33Å; A174-Y184 VanDerWaalsContact CB-CZ 3.49Å
175S68.7Low82.1Confident98 Ų9844.5 Ų44.569%0.68527%0.271SS*.SBendtrans-145.8142.3-179.963.80000110.6V173V173-S175 WeakPolarHBondContact CG2-O 3.37Å; V173-S175 PolarHBondContact O-N 2.82Å
176G66.7Low81.8Confident61 Ų6146.7 Ų46.763%0.62928%0.283SS*.SBendtrans140-147.818000000113.5
177N68Low81.5Confident76 Ų7647.3 Ų47.341%0.40629%0.286SS..  trans-59.8131.4177.4179.9-11.3000109.9E179 I180 L181N177-E179 PolarHBondContact ND2-OE2 3.26Å; N177-E179 PolarHBondContact O-N 2.89Å; N177-E179 PolarHBondContact OD1-N 3.07Å; N177-I180 HydrophobicContact CB-CD1 4.17Å; N177-I180 HydrophobicContact CB-CG1 4.3Å; N177-I180 PolarHBondContact O-N 2.9Å; N177-L181 PolarHBondContact O-N 3.47Å; N177-L181 VanDerWaalsContact O-N 3.1Å
178P63.8Low81.1Confident104 Ų10451.9 Ų51.968%0.67531%0.307SS*.Hα-helixtrans-47.7-33.2175.1-29.333.2000114.8I180 L181 G182P178-I180 VanDerWaalsContact C-N 3.28Å; P178-I180 PolarHBondContact O-N 3.44Å; P178-L181 PolarHBondContact O-N 2.94Å; P178-G182 PolarHBondContact O-N 2.84Å
179E64.4Low81.1Confident75 Ų7555.3 Ų55.335%0.3533%0.325SS..Hα-helixtrans-63.6-33.8177.7-64.2174.4152.400112.6M118 N177M118-E179 HydrophobicContact CE-CB 3.91Å; M118-E179 HydrophobicContact CE-CG 4.06Å; M118-E179 HydrophobicContact CG-CG 4.42Å; N177-E179 PolarHBondContact ND2-OE2 3.26Å; N177-E179 PolarHBondContact O-N 2.89Å; N177-E179 PolarHBondContact OD1-N 3.07Å
180I65.5Low81.2Confident49 Ų4955.3 Ų55.325%0.25133%0.325SS..Hα-helixtrans-84-34178.2-55.3171.6000110.4V173 N177 P178 G182 N183 Y184V173-I180 HydrophobicContact CG2-CB 4.43Å; V173-I180 HydrophobicContact CG2-CG2 3.57Å; N177-I180 HydrophobicContact CB-CD1 4.17Å; N177-I180 HydrophobicContact CB-CG1 4.3Å; N177-I180 PolarHBondContact O-N 2.9Å; P178-I180 VanDerWaalsContact C-N 3.28Å; P178-I180 PolarHBondContact O-N 3.44Å; I180-G182 VanDerWaalsContact C-N 3.31Å; I180-G182 PolarHBondContact O-N 3.05Å; I180-N183 PolarHBondContact O-N 2.92Å; I180-Y184 PolarHBondContact O-N 2.9Å
181L73.8Confident81.5Confident51 Ų5152.9 Ų52.927%0.26731%0.31SS..Hα-helixtrans-58.4-41.4179.7-174.366.1000112A174 N177 P178 N183 Y184 E185A174-L181 WeakPolarHBondContact O-CD1 3.11Å; N177-L181 PolarHBondContact O-N 3.47Å; N177-L181 VanDerWaalsContact O-N 3.1Å; P178-L181 PolarHBondContact O-N 2.94Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 2.89Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.4Å; L181-Y184 VanDerWaalsContact O-N 3.08Å; L181-E185 HydrophobicContact CG-CG 4.29Å; L181-E185 WeakPolarHBondContact O-CG 3.09Å; L181-E185 PolarHBondContact O-N 3.09Å
182G85.2Confident81.8Confident14 Ų1453.6 Ų53.614%0.14431%0.312CS..Hα-helixtrans-64.3-27.3-179.600000114.1P147 P178 I180 L186P147-G182 WeakPolarHBondContact CB-O 3.42Å; P178-G182 PolarHBondContact O-N 2.84Å; I180-G182 VanDerWaalsContact C-N 3.31Å; I180-G182 PolarHBondContact O-N 3.05Å; G182-L186 PolarHBondContact O-N 3.29Å
183N87.4Confident82.4Confident3 Ų354.9 Ų54.92%0.01632%0.319CS..Hα-helixtrans-68.9-43.8172.8-70.7-58.1000110.4F143 P147 P172 I180 L181 L186 M187F143-N183 HydrophobicContact CB-CB 4.35Å; F143-N183 HydrophobicContact CD1-CB 4.2Å; F143-N183 WeakPolarHBondContact CD1-OD1 3.28Å; F143-N183 HydrophobicContact CD2-CB 4.1Å; F143-N183 HydrophobicContact CE2-CB 4.46Å; F143-N183 HydrophobicContact CG-CB 3.98Å; F143-N183 PolarHBondContact O-ND2 3Å; P147-N183 WeakPolarHBondContact CG-OD1 3.42Å; P172-N183 HydrophobicContact CB-CB 4.21Å; I180-N183 PolarHBondContact O-N 2.92Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 2.89Å; N183-L186 PolarHBondContact O-N 3.08Å; N183-M187 VanDerWaalsContact O-CE 3.3Å; N183-M187 WeakPolarHBondContact O-CE 3.07Å; N183-M187 PolarHBondContact O-N 3.42Å
184Y87.2Confident83.2Confident85 Ų8552.4 Ų52.433%0.33330%0.304SS..Hα-helixtrans-60.6-45.7175.5-179.5-90.7000111.6A174 I180 L181 L186 M187A174-Y184 HydrophobicContact CB-CD1 4.09Å; A174-Y184 HydrophobicContact CB-CD2 4.16Å; A174-Y184 HydrophobicContact CB-CE1 3.67Å; A174-Y184 HydrophobicContact CB-CE2 3.75Å; A174-Y184 HydrophobicContact CB-CG 4.33Å; A174-Y184 VanDerWaalsContact CB-CZ 3.49Å; I180-Y184 PolarHBondContact O-N 2.9Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.4Å; L181-Y184 VanDerWaalsContact O-N 3.08Å; Y184-L186 VanDerWaalsContact C-N 3.32Å; Y184-L186 PolarHBondContact O-N 3.36Å; Y184-M187 WeakPolarHBondContact O-CB 3.5Å; Y184-M187 PolarHBondContact O-N 3.03Å
185E88.7Confident84.3Confident127 Ų12750.1 Ų50.159%0.59328%0.284SS*.Hα-helixtrans-61.9-34.7-179.8-71.4174.8171.700113.6L181L181-E185 HydrophobicContact CG-CG 4.29Å; L181-E185 WeakPolarHBondContact O-CG 3.09Å; L181-E185 PolarHBondContact O-N 3.09Å
186L92.4Very high85.7Confident46 Ų4646.1 Ų46.124%0.24126%0.255CS..THydrogen-bonded Turntrans-94.35.5179.9-63.7-173.6000113.9P147 L151 G182 N183 Y184 E188 D189 I190P147-L186 HydrophobicContact CB-CD1 3.7Å; P147-L186 HydrophobicContact CB-CG 4.41Å; L151-L186 HydrophobicContact CD2-CD1 4.42Å; G182-L186 PolarHBondContact O-N 3.29Å; N183-L186 PolarHBondContact O-N 3.08Å; Y184-L186 VanDerWaalsContact C-N 3.32Å; Y184-L186 PolarHBondContact O-N 3.36Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.08Å; L186-D189 PolarHBondContact O-N 2.94Å; L186-I190 HydrophobicContact CB-CD1 3.77Å; L186-I190 HydrophobicContact CB-CG1 4.22Å; L186-I190 WeakPolarHBondContact O-CB 3.44Å; L186-I190 VanDerWaalsContact O-CG1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.3Å
187M90.7Very high87.2Confident13 Ų1343.2 Ų43.26%0.06423%0.225CC..Hα-helixtrans-56.1-45.8-174.3-163.760.648.400112.7F143 P172 N183 Y184 D189 I190 L191F143-M187 HydrophobicContact CE2-CE 3.53Å; F143-M187 HydrophobicContact CE2-SD 4.23Å; F143-M187 HydrophobicContact CZ-CE 3.55Å; F143-M187 HydrophobicContact CZ-SD 3.93Å; P172-M187 HydrophobicContact CB-CE 3.4Å; P172-M187 HydrophobicContact CG-CE 3.32Å; N183-M187 VanDerWaalsContact O-CE 3.3Å; N183-M187 WeakPolarHBondContact O-CE 3.07Å; N183-M187 PolarHBondContact O-N 3.42Å; Y184-M187 WeakPolarHBondContact O-CB 3.5Å; Y184-M187 PolarHBondContact O-N 3.03Å; M187-D189 PolarHBondContact O-N 3.2Å; M187-I190 PolarHBondContact O-N 3.04Å; M187-I190 VanDerWaalsContact O-N 3.07Å; M187-L191 HydrophobicContact CG-CD1 3.72Å; M187-L191 HydrophobicContact CG-CG 3.91Å; M187-L191 WeakPolarHBondContact O-CG 3.42Å; M187-L191 PolarHBondContact O-N 3.36Å; M187-L191 HydrophobicContact SD-CD1 4.04Å; M187-L191 HydrophobicContact SD-CD2 3.76Å; M187-L191 HydrophobicContact SD-CG 3.78Å
188E91.6Very high88.7Confident106 Ų10639.6 Ų39.650%0.49521%0.205SC..Hα-helixtrans-62.2-29.6-179.7-70.4-64.6158.900112.9L186 P192 K239L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.08Å; E188-P192 WeakPolarHBondContact O-CD 3.42Å; E188-P192 VanDerWaalsContact O-CG 3.29Å; E188-P192 WeakPolarHBondContact O-CG 3.25Å; E188-K239 WeakPolarHBondContact OE1-CE 3.04Å; E188-K239 IonicContact OE1-NZ 3.6Å; E188-K239 PolarHBondContact OE1-NZ 2.92Å; E188-K239 WeakPolarHBondContact OE2-CE 3.47Å; E188-K239 IonicContact OE2-NZ 2.75Å; E188-K239 PolarHBondContact OE2-NZ 2.63Å
189D95.2Very high90.2Very high73 Ų7334.7 Ų34.739%0.3917%0.173SC..Hα-helixtrans-83.3-32.4174-80.7-62.5000112.4L151 R155 L186 M187 N193L151-D189 HydrophobicContact CD1-CB 3.9Å; L151-D189 VanDerWaalsContact CD1-O 3.22Å; L151-D189 WeakPolarHBondContact CD1-O 3.37Å; L151-D189 HydrophobicContact CD2-CB 3.72Å; L151-D189 HydrophobicContact CG-CB 4.48Å; R155-D189 IonicContact NH2-OD1 2.91Å; R155-D189 PolarHBondContact NH2-OD1 3.16Å; L186-D189 PolarHBondContact O-N 2.94Å; M187-D189 PolarHBondContact O-N 3.2Å; D189-N193 PolarHBondContact O-ND2 3.06Å
190I96.1Very high91.7Very high0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-76.2-51.8-175.1-74.6169.1000111.4F143 T150 L151 L154 L166 L186 M187 N193 C194F143-I190 HydrophobicContact CE1-CD1 3.99Å; F143-I190 HydrophobicContact CE1-CG2 4.24Å; F143-I190 HydrophobicContact CZ-CG2 4.36Å; T150-I190 HydrophobicContact CG2-CD1 4.44Å; L151-I190 HydrophobicContact CB-CG1 3.93Å; L151-I190 HydrophobicContact CD1-CG1 3.96Å; L151-I190 HydrophobicContact CG-CG1 4.46Å; L154-I190 HydrophobicContact CD1-CG2 3.77Å; L166-I190 HydrophobicContact CD2-CG2 3.6Å; L186-I190 HydrophobicContact CB-CD1 3.77Å; L186-I190 HydrophobicContact CB-CG1 4.22Å; L186-I190 WeakPolarHBondContact O-CB 3.44Å; L186-I190 VanDerWaalsContact O-CG1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.3Å; M187-I190 PolarHBondContact O-N 3.04Å; M187-I190 VanDerWaalsContact O-N 3.07Å; I190-N193 WeakPolarHBondContact O-CB 3.22Å; I190-N193 PolarHBondContact O-N 2.94Å; I190-C194 PolarHBondContact O-SG 3.2Å; I190-C194 VanDerWaalsContact O-SG 3.36Å
191L95.6Very high93Very high0 Ų033 Ų330%017%0.166CC..G310 helixtrans-58.4-41.9-171-64.2179.7000113.8L166 M187 N193 C194 V197 Y235 L236 K239 I241L166-L191 HydrophobicContact CD2-CD2 4.09Å; M187-L191 HydrophobicContact CG-CD1 3.72Å; M187-L191 HydrophobicContact CG-CG 3.91Å; M187-L191 WeakPolarHBondContact O-CG 3.42Å; M187-L191 PolarHBondContact O-N 3.36Å; M187-L191 HydrophobicContact SD-CD1 4.04Å; M187-L191 HydrophobicContact SD-CD2 3.76Å; M187-L191 HydrophobicContact SD-CG 3.78Å; L191-N193 PolarHBondContact O-N 2.71Å; L191-C194 WeakPolarHBondContact O-CB 3.43Å; L191-C194 PolarHBondContact O-N 3.26Å; L191-V197 HydrophobicContact CD2-CG2 4.27Å; L191-Y235 HydrophobicContact CD1-CE1 4.48Å; L191-L236 HydrophobicContact CD1-CD2 4.35Å; L191-K239 HydrophobicContact CB-CB 3.93Å; L191-K239 HydrophobicContact CB-CG 4.41Å; L191-K239 HydrophobicContact CD1-CB 4.28Å; L191-K239 HydrophobicContact CD1-CG 3.95Å; L191-I241 HydrophobicContact CB-CD1 4.14Å; L191-I241 HydrophobicContact CB-CG1 4.49Å; L191-I241 HydrophobicContact CD2-CD1 4.09Å; L191-I241 HydrophobicContact CG-CD1 4.49Å
192P96.3Very high93.7Very high41 Ų4132.9 Ų32.927%0.26617%0.169SC..G310 helixtrans-63.9-12.6177.7-23.535.6000115.1E188 K239E188-P192 WeakPolarHBondContact O-CD 3.42Å; E188-P192 VanDerWaalsContact O-CG 3.29Å; E188-P192 WeakPolarHBondContact O-CG 3.25Å; P192-K239 VanDerWaalsContact CA-O 3.24Å; P192-K239 WeakPolarHBondContact CA-O 3.34Å
193N97.5Very high94Very high27 Ų2732.8 Ų32.814%0.14417%0.165CC..G310 helixtrans-976.1177.1-66-72.9000112.9L154 R155 T164 D189 I190 L191L154-N193 HydrophobicContact CB-CB 3.9Å; R155-N193 HydrophobicContact CG-CB 4.43Å; R155-N193 WeakPolarHBondContact CG-OD1 3.45Å; T164-N193 WeakPolarHBondContact CB-O 3.46Å; T164-N193 PolarHBondContact OG1-O 3.34Å; D189-N193 PolarHBondContact O-ND2 3.06Å; I190-N193 WeakPolarHBondContact O-CB 3.22Å; I190-N193 PolarHBondContact O-N 2.94Å; L191-N193 PolarHBondContact O-N 2.71Å
194C98Very high94.3Very high0 Ų032.7 Ų32.70%017%0.165CC..  trans-104.8126.5-179.7-57.20000111.2T164 L166 I190 L191 V197T164-C194 VanDerWaalsContact OG1-CA 3.29Å; T164-C194 WeakPolarHBondContact OG1-CA 3.49Å; L166-C194 HydrophobicContact CB-CB 4.41Å; L166-C194 VanDerWaalsContact CB-SG 3.57Å; I190-C194 PolarHBondContact O-SG 3.2Å; I190-C194 VanDerWaalsContact O-SG 3.36Å; L191-C194 WeakPolarHBondContact O-CB 3.43Å; L191-C194 PolarHBondContact O-N 3.26Å; C194-V197 HydrophobicContact CB-CG2 3.54Å
195D98Very high94.5Very high4 Ų429.1 Ų29.12%0.02115%0.152CC..SBendtrans-77.1-38.9166.2-66.6-67000110.6R158 K163 T164 K242 C243R158-D195 IonicContact NH1-OD1 3.06Å; R158-D195 PolarHBondContact NH1-OD1 2.98Å; K163-D195 VanDerWaalsContact CA-OD2 3.3Å; K163-D195 WeakPolarHBondContact CA-OD2 3.49Å; T164-D195 PolarHBondContact N-OD2 3.45Å; T164-D195 PolarHBondContact O-N 3.17Å; T164-D195 PolarHBondContact OG1-N 2.68Å; T164-D195 PolarHBondContact OG1-OD2 3.4Å; D195-K242 HydrophobicContact CB-CD 4.46Å; D195-K242 WeakPolarHBondContact O-CB 3.34Å; D195-K242 PolarHBondContact O-N 3.15Å; D195-K242 VanDerWaalsContact O-N 3.1Å; D195-K242 VanDerWaalsContact OD1-CD 3.29Å; D195-K242 WeakPolarHBondContact OD1-CD 3.22Å; D195-K242 WeakPolarHBondContact OD1-CE 3.48Å; D195-K242 IonicContact OD1-NZ 3.11Å; D195-K242 PolarHBondContact OD1-NZ 3.01Å; D195-C243 PolarHBondContact O-N 3.28Å
196F98.5Very high94.4Very high14 Ų1423.5 Ų23.56%0.06113%0.127CC..EExtended strand (participates in β ladder)trans-124.8138.4178.9-52.5-91000110.8K163 T164 I165 L166 C243 I245 V314 L322K163-F196 HydrophobicContact CB-CE2 4.27Å; T164-F196 PolarHBondContact O-N 3.47Å; I165-F196 WeakPolarHBondContact CA-O 3.38Å; I165-F196 HydrophobicContact CB-CB 4.37Å; I165-F196 HydrophobicContact CD1-CD2 4.44Å; I165-F196 HydrophobicContact CG1-CB 4.03Å; I165-F196 HydrophobicContact CG1-CD2 3.74Å; I165-F196 HydrophobicContact CG1-CG 4.18Å; I165-F196 HydrophobicContact CG2-CB 4.22Å; L166-F196 PolarHBondContact N-O 3.41Å; F196-C243 WeakPolarHBondContact CA-O 3.39Å; F196-C243 HydrophobicContact CD1-CB 3.66Å; F196-C243 HydrophobicContact CE1-CB 3.83Å; F196-I245 HydrophobicContact CD1-CD1 4.12Å; F196-V314 HydrophobicContact CE2-CG1 4.14Å; F196-V314 HydrophobicContact CE2-CG2 4.32Å; F196-V314 HydrophobicContact CZ-CG1 4.4Å; F196-V314 HydrophobicContact CZ-CG2 4.08Å; F196-L322 HydrophobicContact CE1-CD1 3.56Å; F196-L322 HydrophobicContact CE1-CD2 3.76Å; F196-L322 HydrophobicContact CE1-CG 4.32Å; F196-L322 HydrophobicContact CZ-CD1 4.06Å; F196-L322 HydrophobicContact CZ-CD2 4.42Å
197V98.2Very high94.3Very high0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-128.8122171.7-177.70000108.4L166 P168 L191 C194 P199 I207 I241 C243 I245L166-V197 HydrophobicContact CB-CG2 4.33Å; L166-V197 CarbonylContact O-C 3.51Å; L166-V197 VanDerWaalsContact O-CA 3.31Å; L166-V197 WeakPolarHBondContact O-CA 3.5Å; P168-V197 HydrophobicContact CG-CG1 3.99Å; L191-V197 HydrophobicContact CD2-CG2 4.27Å; C194-V197 HydrophobicContact CB-CG2 3.54Å; V197-P199 VanDerWaalsContact C-CD 3.4Å; V197-P199 VanDerWaalsContact O-CD 3.22Å; V197-P199 WeakPolarHBondContact O-CD 2.94Å; V197-I207 HydrophobicContact CG1-CD1 4.06Å; V197-I241 HydrophobicContact CB-CD1 4.15Å; V197-I241 HydrophobicContact CB-CG2 4.22Å; V197-I241 HydrophobicContact CG2-CB 4.46Å; V197-I241 HydrophobicContact CG2-CD1 3.5Å; V197-I241 HydrophobicContact CG2-CG1 3.78Å; V197-I241 HydrophobicContact CG2-CG2 3.81Å; V197-C243 PolarHBondContact N-O 2.93Å; V197-I245 PolarHBondContact O-N 2.96Å
198C98.2Very high94.3Very high0 Ų021 Ų210%011%0.114CC..  trans-11869.2-168.9-60.40000112.5L166 N167 I245 V307L166-C198 PolarHBondContact O-N 3.48Å; N167-C198 PolarHBondContact ND2-O 2.94Å; C198-I245 VanDerWaalsContact CA-O 3.27Å; C198-I245 WeakPolarHBondContact CA-O 3.41Å; C198-V307 HydrophobicContact CB-CG2 3.82Å
199P96.6Very high93.8Very high0 Ų020 Ų200%011%0.11CC..  trans-81.3154177.433.7-34.1000112P168 V197 E203 F204 I207 I245 V246 T247P168-P199 HydrophobicContact CG-CB 3.72Å; V197-P199 VanDerWaalsContact C-CD 3.4Å; V197-P199 VanDerWaalsContact O-CD 3.22Å; V197-P199 WeakPolarHBondContact O-CD 2.94Å; P199-E203 HydrophobicContact CB-CB 3.65Å; P199-F204 HydrophobicContact CB-CB 3.99Å; P199-F204 HydrophobicContact CG-CB 3.82Å; P199-F204 HydrophobicContact CG-CD2 3.97Å; P199-F204 HydrophobicContact CG-CG 4.34Å; P199-I207 HydrophobicContact CB-CD1 4.13Å; P199-I207 HydrophobicContact CG-CD1 3.99Å; P199-I245 WeakPolarHBondContact CD-O 3.4Å; P199-V246 HydrophobicContact CG-CG2 4.35Å; P199-V246 CarbonylContact O-C 3.59Å; P199-V246 WeakPolarHBondContact O-CA 3.18Å; P199-T247 PolarHBondContact O-N 3.27Å; P199-T247 PolarHBondContact O-OG1 3.18Å
200N94.6Very high92.3Very high47 Ų4718.5 Ų18.525%0.25110%0.104SC..BIsolated β-bridgetrans-77.9-178.6156.268.637.6000111.9S202 E203 F204 T247N200-S202 VanDerWaalsContact C-N 3.32Å; N200-S202 PolarHBondContact O-N 2.9Å; N200-S202 WeakPolarHBondContact OD1-CA 3.25Å; N200-S202 WeakPolarHBondContact OD1-CB 3.41Å; N200-S202 PolarHBondContact OD1-N 3.07Å; N200-E203 PolarHBondContact N-OE2 2.85Å; N200-E203 PolarHBondContact ND2-OE1 2.69Å; N200-E203 PolarHBondContact ND2-OE2 2.76Å; N200-E203 PolarHBondContact O-N 2.67Å; N200-E203 WeakPolarHBondContact OD1-CG 3.44Å; N200-E203 PolarHBondContact OD1-N 3.29Å; N200-F204 WeakPolarHBondContact O-CB 3.22Å; N200-F204 PolarHBondContact O-N 2.94Å; N200-T247 WeakPolarHBondContact CA-O 3.15Å; N200-T247 WeakPolarHBondContact CA-OG1 3.18Å
201E92.4Very high90.5Very high41 Ų4126.7 Ų26.719%0.19215%0.148CC..Hα-helixtrans-57.8-42.8-178.5-56.695.4137.700112.9C205 K218 I221 L248E201-C205 PolarHBondContact O-N 3.07Å; E201-C205 VanDerWaalsContact O-N 3.12Å; E201-C205 PolarHBondContact O-SG 3.27Å; E201-C205 VanDerWaalsContact O-SG 3.33Å; E201-K218 HydrophobicContact CB-CG 4.33Å; E201-I221 HydrophobicContact CB-CG2 3.82Å; E201-I221 HydrophobicContact CG-CG2 3.72Å; E201-L248 HydrophobicContact CG-CD2 3.69Å; E201-L248 WeakPolarHBondContact OE1-CA 3.49Å
202S88.9Confident88.5Confident49 Ų4932.3 Ų32.334%0.34319%0.188SC..Hα-helixtrans-68.5-44.5179.7-89.10000111.9N200 F204 S206 K218N200-S202 VanDerWaalsContact C-N 3.32Å; N200-S202 PolarHBondContact O-N 2.9Å; N200-S202 WeakPolarHBondContact OD1-CA 3.25Å; N200-S202 WeakPolarHBondContact OD1-CB 3.41Å; N200-S202 PolarHBondContact OD1-N 3.07Å; S202-F204 VanDerWaalsContact C-N 3.33Å; S202-S206 WeakPolarHBondContact O-CB 3.38Å; S202-S206 PolarHBondContact O-N 2.95Å; S202-K218 WeakPolarHBondContact OG-CD 3.5Å; S202-K218 WeakPolarHBondContact OG-CE 3.32Å; S202-K218 PolarHBondContact OG-NZ 2.64Å
203E92.4Very high87.1Confident13 Ų1332 Ų326%0.06119%0.192CC..Hα-helixtrans-67-37.4178.3-67.6153.5-168.200110.8P168 A169 A171 P199 N200 S206 I207P168-E203 HydrophobicContact CG-CB 4.45Å; P168-E203 WeakPolarHBondContact O-CG 3.45Å; A169-E203 WeakPolarHBondContact CB-OE1 3.37Å; A171-E203 HydrophobicContact CB-CB 4.47Å; A171-E203 HydrophobicContact CB-CG 3.9Å; P199-E203 HydrophobicContact CB-CB 3.65Å; N200-E203 PolarHBondContact N-OE2 2.85Å; N200-E203 PolarHBondContact ND2-OE1 2.69Å; N200-E203 PolarHBondContact ND2-OE2 2.76Å; N200-E203 PolarHBondContact O-N 2.67Å; N200-E203 WeakPolarHBondContact OD1-CG 3.44Å; N200-E203 PolarHBondContact OD1-N 3.29Å; E203-S206 WeakPolarHBondContact O-CB 3.38Å; E203-S206 PolarHBondContact O-N 3.26Å; E203-I207 WeakPolarHBondContact O-CG1 3.39Å; E203-I207 WeakPolarHBondContact O-CG2 3.38Å; E203-I207 PolarHBondContact O-N 3.28Å
204F93.6Very high85.8Confident0 Ų033.8 Ų33.80%021%0.206CC..Hα-helixtrans-64.6-46.5178.4-179.9-118.5000111P199 N200 S202 T208 F216 I221 F229 L233 L236 V246P199-F204 HydrophobicContact CB-CB 3.99Å; P199-F204 HydrophobicContact CG-CB 3.82Å; P199-F204 HydrophobicContact CG-CD2 3.97Å; P199-F204 HydrophobicContact CG-CG 4.34Å; N200-F204 WeakPolarHBondContact O-CB 3.22Å; N200-F204 PolarHBondContact O-N 2.94Å; S202-F204 VanDerWaalsContact C-N 3.33Å; F204-T208 HydrophobicContact CD2-CG2 3.98Å; F204-T208 HydrophobicContact CE2-CG2 3.75Å; F204-T208 HydrophobicContact CZ-CG2 4.27Å; F204-T208 WeakPolarHBondContact O-CB 3.38Å; F204-T208 VanDerWaalsContact O-CG2 3.31Å; F204-T208 WeakPolarHBondContact O-CG2 3.42Å; F204-T208 PolarHBondContact O-N 3.42Å; F204-T208 PolarHBondContact O-OG1 3.09Å; F204-F216 AromaticContact CD1-CE2 3.53Å; F204-F216 HydrophobicContact CD1-CE2 3.53Å; F204-F216 AromaticContact CD1-CZ 3.61Å; F204-F216 HydrophobicContact CD1-CZ 3.61Å; F204-F216 HydrophobicContact CE1-CE1 4.07Å; F204-F216 AromaticContact CE1-CE2 3.49Å; F204-F216 HydrophobicContact CE1-CE2 3.49Å; F204-F216 VanDerWaalsContact CE1-CE2 3.49Å; F204-F216 AromaticContact CE1-CZ 3.16Å; F204-F216 HydrophobicContact CE1-CZ 3.16Å; F204-F216 HydrophobicContact CG-CZ 4.49Å; F204-F216 HydrophobicContact CZ-CE1 4.42Å; F204-F216 HydrophobicContact CZ-CE2 4.45Å; F204-F216 AromaticContact CZ-CZ 3.72Å; F204-F216 HydrophobicContact CZ-CZ 3.72Å; F204-I221 HydrophobicContact CD1-CD1 4.19Å; F204-I221 HydrophobicContact CD1-CG1 4.28Å; F204-I221 HydrophobicContact CD1-CG2 4.37Å; F204-I221 HydrophobicContact CE1-CD1 3.9Å; F204-I221 HydrophobicContact CE1-CG1 4.48Å; F204-F229 HydrophobicContact CE1-CD1 4.04Å; F204-L233 HydrophobicContact CE2-CD2 4.2Å; F204-L233 HydrophobicContact CZ-CD2 4.22Å; F204-L233 HydrophobicContact CZ-CG 4.1Å; F204-L236 HydrophobicContact CD2-CD1 4.05Å; F204-L236 HydrophobicContact CE2-CD1 3.74Å; F204-V246 HydrophobicContact CB-CG1 3.92Å; F204-V246 HydrophobicContact CB-CG2 4.37Å; F204-V246 HydrophobicContact CD1-CG1 4.18Å; F204-V246 HydrophobicContact CD1-CG2 4.08Å; F204-V246 HydrophobicContact CD2-CG2 3.52Å; F204-V246 HydrophobicContact CE1-CG2 4.21Å; F204-V246 HydrophobicContact CE2-CG2 3.68Å; F204-V246 HydrophobicContact CG-CG1 3.98Å; F204-V246 HydrophobicContact CG-CG2 3.72Å; F204-V246 HydrophobicContact CZ-CG2 4.03Å
205C89.9Confident84.7Confident11 Ų1137.3 Ų37.37%0.07423%0.225CC..Hα-helixtrans-55.7-52.4170.7-69.30000110.4E201 I207 T208 E209 F216E201-C205 PolarHBondContact O-N 3.07Å; E201-C205 VanDerWaalsContact O-N 3.12Å; E201-C205 PolarHBondContact O-SG 3.27Å; E201-C205 VanDerWaalsContact O-SG 3.33Å; C205-I207 VanDerWaalsContact C-N 3.35Å; C205-I207 PolarHBondContact O-N 3.37Å; C205-T208 CarbonylContact O-C 3.44Å; C205-T208 PolarHBondContact O-N 3.32Å; C205-T208 VanDerWaalsContact O-N 3.16Å; C205-T208 PolarHBondContact O-OG1 2.59Å; C205-E209 WeakPolarHBondContact O-CG 3.47Å; C205-E209 PolarHBondContact O-N 2.84Å; C205-F216 HydrophobicContact CB-CE2 4.45Å
206S88.5Confident83.8Confident9 Ų937.6 Ų37.66%0.06323%0.226CC..Hα-helixtrans-58.5-41-176.4-154.20000113.7P172 S202 E203P172-S206 PolarHBondContact O-OG 3.34Å; S202-S206 WeakPolarHBondContact O-CB 3.38Å; S202-S206 PolarHBondContact O-N 2.95Å; E203-S206 WeakPolarHBondContact O-CB 3.38Å; E203-S206 PolarHBondContact O-N 3.26Å
207I89.9Confident82.7Confident6 Ų639.1 Ų39.13%0.03124%0.238CC..Hα-helixtrans-82.6-14.5-177.272.7178.5000113.2P168 P172 V197 P199 E203 C205 Y235 L236P168-I207 HydrophobicContact CB-CG2 4.03Å; P168-I207 HydrophobicContact CG-CD1 4.16Å; P168-I207 HydrophobicContact CG-CG2 4.26Å; P172-I207 HydrophobicContact CG-CG2 3.46Å; P172-I207 VanDerWaalsContact CG-CG2 3.46Å; V197-I207 HydrophobicContact CG1-CD1 4.06Å; P199-I207 HydrophobicContact CB-CD1 4.13Å; P199-I207 HydrophobicContact CG-CD1 3.99Å; E203-I207 WeakPolarHBondContact O-CG1 3.39Å; E203-I207 WeakPolarHBondContact O-CG2 3.38Å; E203-I207 PolarHBondContact O-N 3.28Å; C205-I207 VanDerWaalsContact C-N 3.35Å; C205-I207 PolarHBondContact O-N 3.37Å; I207-Y235 VanDerWaalsContact O-CE1 3.27Å; I207-Y235 WeakPolarHBondContact O-CE1 3.27Å; I207-L236 HydrophobicContact CD1-CD1 4.16Å; I207-L236 HydrophobicContact CD1-CD2 3.88Å; I207-L236 HydrophobicContact CG1-CD2 4.27Å
208T89.3Confident81.7Confident1 Ų144.4 Ų44.41%0.00626%0.261CS..Hα-helixtrans-106.62.9178.160.40000112.4F204 C205 S210 L215 F216 Y235 L236F204-T208 HydrophobicContact CD2-CG2 3.98Å; F204-T208 HydrophobicContact CE2-CG2 3.75Å; F204-T208 HydrophobicContact CZ-CG2 4.27Å; F204-T208 WeakPolarHBondContact O-CB 3.38Å; F204-T208 VanDerWaalsContact O-CG2 3.31Å; F204-T208 WeakPolarHBondContact O-CG2 3.42Å; F204-T208 PolarHBondContact O-N 3.42Å; F204-T208 PolarHBondContact O-OG1 3.09Å; C205-T208 CarbonylContact O-C 3.44Å; C205-T208 PolarHBondContact O-N 3.32Å; C205-T208 VanDerWaalsContact O-N 3.16Å; C205-T208 PolarHBondContact O-OG1 2.59Å; T208-S210 PolarHBondContact O-N 3.48Å; T208-L215 WeakPolarHBondContact O-CD1 3.4Å; T208-F216 HydrophobicContact CG2-CZ 4.42Å; T208-F216 WeakPolarHBondContact OG1-CZ 3.47Å; T208-Y235 HydrophobicContact CG2-CD1 4.03Å; T208-L236 HydrophobicContact CG2-CD2 4.46Å; T208-L236 HydrophobicContact CG2-CG 4.26Å
209E82Confident80.9Confident85 Ų8550.9 Ų50.940%0.39730%0.296SS..  trans-58134.6168.6-85.2171.7-157.400109.8C205C205-E209 WeakPolarHBondContact O-CG 3.47Å; C205-E209 PolarHBondContact O-N 2.84Å
210S63.2Low80.2Confident40 Ų4054.6 Ų54.628%0.2831%0.313SS..BIsolated β-bridgetrans-109.4166.5177.767.70000110.1T208 S212 G213T208-S210 PolarHBondContact O-N 3.48Å; S210-S212 PolarHBondContact O-N 3.18Å; S210-S212 PolarHBondContact OG-N 3.41Å; S210-S212 PolarHBondContact OG-OG 3.01Å; S210-G213 PolarHBondContact N-O 2.78Å; S210-G213 VanDerWaalsContact N-O 3.1Å; S210-G213 WeakPolarHBondContact O-CA 3.41Å; S210-G213 PolarHBondContact O-N 2.94Å; S210-G213 PolarHBondContact OG-N 3.39Å; S210-G213 PolarHBondContact OG-O 3.32Å
211D59.8Low79.6Confident173 Ų17352.4 Ų52.493%0.92530%0.301SS*.THydrogen-bonded Turntrans-56.2-24.5170-70.7-26.7000112.3G213D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 2.9Å
212S53.2Low78.9Confident118 Ų11851.7 Ų51.783%0.82531%0.305SS*.THydrogen-bonded Turntrans-81.10.9174370000114.9S210S210-S212 PolarHBondContact O-N 3.18Å; S210-S212 PolarHBondContact OG-N 3.41Å; S210-S212 PolarHBondContact OG-OG 3.01Å
213G66.6Low78.7Confident35 Ų3552.8 Ų52.836%0.36131%0.313SS..BIsolated β-bridgetrans103.2-173-176.600000113.6S210 D211S210-G213 PolarHBondContact N-O 2.78Å; S210-G213 VanDerWaalsContact N-O 3.1Å; S210-G213 WeakPolarHBondContact O-CA 3.41Å; S210-G213 PolarHBondContact O-N 2.94Å; S210-G213 PolarHBondContact OG-N 3.39Å; S210-G213 PolarHBondContact OG-O 3.32Å; D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 2.9Å
214S70.2Confident78.3Confident63 Ų6354.4 Ų54.444%0.44132%0.322SS..  trans-68.2132.9179.4-164.30000111.1F216S214-F216 PolarHBondContact O-N 2.79Å; S214-F216 PolarHBondContact OG-O 3.43Å
215L74.3Confident78.1Confident74 Ų7457.3 Ų57.339%0.38734%0.337SS..SBendtrans-68.1-24.1177.1-65176.3000112.6T208 P231T208-L215 WeakPolarHBondContact O-CD1 3.4Å; L215-P231 HydrophobicContact CB-CB 4.46Å; L215-P231 HydrophobicContact CD1-CB 4.16Å
216F78.4Confident78Confident10 Ų1058.3 Ų58.34%0.04434%0.341CS..SBendtrans-162.4164.8-176.739.7-95.5000110.3F204 C205 T208 S214 I221 A228F204-F216 AromaticContact CD1-CE2 3.53Å; F204-F216 HydrophobicContact CD1-CE2 3.53Å; F204-F216 AromaticContact CD1-CZ 3.61Å; F204-F216 HydrophobicContact CD1-CZ 3.61Å; F204-F216 HydrophobicContact CE1-CE1 4.07Å; F204-F216 AromaticContact CE1-CE2 3.49Å; F204-F216 HydrophobicContact CE1-CE2 3.49Å; F204-F216 VanDerWaalsContact CE1-CE2 3.49Å; F204-F216 AromaticContact CE1-CZ 3.16Å; F204-F216 HydrophobicContact CE1-CZ 3.16Å; F204-F216 HydrophobicContact CG-CZ 4.49Å; F204-F216 HydrophobicContact CZ-CE1 4.42Å; F204-F216 HydrophobicContact CZ-CE2 4.45Å; F204-F216 AromaticContact CZ-CZ 3.72Å; F204-F216 HydrophobicContact CZ-CZ 3.72Å; C205-F216 HydrophobicContact CB-CE2 4.45Å; T208-F216 HydrophobicContact CG2-CZ 4.42Å; T208-F216 WeakPolarHBondContact OG1-CZ 3.47Å; S214-F216 PolarHBondContact O-N 2.79Å; S214-F216 PolarHBondContact OG-O 3.43Å; F216-I221 HydrophobicContact CD2-CD1 3.48Å; F216-I221 VanDerWaalsContact CD2-CD1 3.48Å; F216-I221 HydrophobicContact CD2-CG1 3.3Å; F216-I221 HydrophobicContact CE2-CD1 3.69Å; F216-I221 HydrophobicContact CE2-CG1 3.59Å; F216-I221 HydrophobicContact CG-CD1 3.95Å; F216-I221 HydrophobicContact CG-CG1 4.17Å; F216-I221 HydrophobicContact CZ-CD1 4.34Å; F216-A228 HydrophobicContact CB-CB 4.02Å; F216-A228 WeakPolarHBondContact CD1-O 3.38Å; F216-A228 WeakPolarHBondContact CE1-O 3.24Å; F216-A228 WeakPolarHBondContact CG-O 3.31Å
217S76.6Confident78Confident46 Ų4664 Ų6432%0.32237%0.371SS..  trans-91.8153.8175.370.70000112.5N219 E220 I221S217-N219 PolarHBondContact O-N 2.89Å; S217-N219 VanDerWaalsContact O-N 3.14Å; S217-E220 VanDerWaalsContact CB-OE2 3.27Å; S217-E220 WeakPolarHBondContact CB-OE2 3.34Å; S217-E220 PolarHBondContact N-OE2 2.9Å; S217-E220 PolarHBondContact O-N 2.85Å; S217-E220 WeakPolarHBondContact OG-CG 3.31Å; S217-E220 PolarHBondContact OG-N 3.24Å; S217-E220 PolarHBondContact OG-OE2 2.83Å; S217-I221 PolarHBondContact O-N 3.45Å
218K77.3Confident78Confident112 Ų11264.1 Ų64.149%0.48737%0.373SS..Hα-helixtrans-54.7-31.7170.3-176.4177.5180170.80112.4E201 S202 G222E201-K218 HydrophobicContact CB-CG 4.33Å; S202-K218 WeakPolarHBondContact OG-CD 3.5Å; S202-K218 WeakPolarHBondContact OG-CE 3.32Å; S202-K218 PolarHBondContact OG-NZ 2.64Å; K218-G222 WeakPolarHBondContact O-CA 3.15Å; K218-G222 PolarHBondContact O-N 3.29Å
219N80.4Confident78.1Confident136 Ų13664 Ų6473%0.72737%0.373SS*.Hα-helixtrans-69.6-34.8178.8-72.2-15.7000112.3S217 S223S217-N219 PolarHBondContact O-N 2.89Å; S217-N219 VanDerWaalsContact O-N 3.14Å; N219-S223 VanDerWaalsContact O-CB 3.25Å; N219-S223 WeakPolarHBondContact O-CB 3.35Å; N219-S223 PolarHBondContact O-N 3.46Å; N219-S223 PolarHBondContact O-OG 2.75Å
220E81.7Confident78.5Confident78 Ų7861.9 Ų61.936%0.36436%0.363SS..Hα-helixtrans-71.2-43.8176.3-71.4161.6113.700111.6S217 S223 L224 N225 A228S217-E220 VanDerWaalsContact CB-OE2 3.27Å; S217-E220 WeakPolarHBondContact CB-OE2 3.34Å; S217-E220 PolarHBondContact N-OE2 2.9Å; S217-E220 PolarHBondContact O-N 2.85Å; S217-E220 WeakPolarHBondContact OG-CG 3.31Å; S217-E220 PolarHBondContact OG-N 3.24Å; S217-E220 PolarHBondContact OG-OE2 2.83Å; E220-S223 PolarHBondContact O-N 2.99Å; E220-S223 PolarHBondContact O-OG 3.42Å; E220-L224 PolarHBondContact O-N 2.98Å; E220-N225 HydrophobicContact CB-CB 4.4Å; E220-N225 WeakPolarHBondContact O-CB 3.49Å; E220-N225 PolarHBondContact O-N 3.47Å; E220-A228 HydrophobicContact CB-CB 3.68Å
221I82.7Confident79.8Confident0 Ų062.7 Ų62.70%037%0.368CS..Hα-helixtrans-63.1-48.5174-61.7-53.6000110.2E201 F204 F216 S217 S223 L224 A228 F229 L248E201-I221 HydrophobicContact CB-CG2 3.82Å; E201-I221 HydrophobicContact CG-CG2 3.72Å; F204-I221 HydrophobicContact CD1-CD1 4.19Å; F204-I221 HydrophobicContact CD1-CG1 4.28Å; F204-I221 HydrophobicContact CD1-CG2 4.37Å; F204-I221 HydrophobicContact CE1-CD1 3.9Å; F204-I221 HydrophobicContact CE1-CG1 4.48Å; F216-I221 HydrophobicContact CD2-CD1 3.48Å; F216-I221 VanDerWaalsContact CD2-CD1 3.48Å; F216-I221 HydrophobicContact CD2-CG1 3.3Å; F216-I221 HydrophobicContact CE2-CD1 3.69Å; F216-I221 HydrophobicContact CE2-CG1 3.59Å; F216-I221 HydrophobicContact CG-CD1 3.95Å; F216-I221 HydrophobicContact CG-CG1 4.17Å; F216-I221 HydrophobicContact CZ-CD1 4.34Å; S217-I221 PolarHBondContact O-N 3.45Å; I221-S223 PolarHBondContact O-N 2.83Å; I221-L224 PolarHBondContact O-N 3.19Å; I221-A228 HydrophobicContact CD1-CB 4.01Å; I221-F229 HydrophobicContact CB-CE2 4.49Å; I221-F229 HydrophobicContact CB-CZ 4.16Å; I221-F229 HydrophobicContact CD1-CD1 3.99Å; I221-F229 HydrophobicContact CD1-CD2 3.9Å; I221-F229 HydrophobicContact CD1-CE1 4.12Å; I221-F229 HydrophobicContact CD1-CE2 4.01Å; I221-F229 HydrophobicContact CD1-CG 3.89Å; I221-F229 HydrophobicContact CD1-CZ 4.13Å; I221-F229 HydrophobicContact CG2-CD1 4.49Å; I221-F229 HydrophobicContact CG2-CE1 3.62Å; I221-F229 HydrophobicContact CG2-CE2 4.28Å; I221-F229 HydrophobicContact CG2-CZ 3.49Å; I221-F229 VanDerWaalsContact CG2-CZ 3.49Å; I221-F229 WeakPolarHBondContact O-CZ 3.5Å; I221-L248 HydrophobicContact CG2-CD2 4.19Å
222G78.7Confident81.4Confident26 Ų2654.5 Ų54.527%0.26832%0.324SS..Hα-helixtrans-64.2-23.6178.500000113.5K218 L224 K251K218-G222 WeakPolarHBondContact O-CA 3.15Å; K218-G222 PolarHBondContact O-N 3.29Å; G222-L224 VanDerWaalsContact C-N 3.28Å; G222-K251 PolarHBondContact O-NZ 3.24Å
223S83.4Confident83.3Confident72 Ų7248.9 Ų48.950%0.50328%0.284SS..THydrogen-bonded Turntrans-84.5-0.4174.170.90000113.6N219 E220 I221 N225N219-S223 VanDerWaalsContact O-CB 3.25Å; N219-S223 WeakPolarHBondContact O-CB 3.35Å; N219-S223 PolarHBondContact O-N 3.46Å; N219-S223 PolarHBondContact O-OG 2.75Å; E220-S223 PolarHBondContact O-N 2.99Å; E220-S223 PolarHBondContact O-OG 3.42Å; I221-S223 PolarHBondContact O-N 2.83Å; S223-N225 VanDerWaalsContact C-N 3.29Å
224L85.7Confident84.5Confident48 Ų4848.3 Ų48.325%0.25128%0.277SS..THydrogen-bonded Turntrans6333.2-173.4-153.877.9000112.4E220 I221 G222 I226 L248 I254E220-L224 PolarHBondContact O-N 2.98Å; I221-L224 PolarHBondContact O-N 3.19Å; G222-L224 VanDerWaalsContact C-N 3.28Å; L224-I226 HydrophobicContact CG-CD1 4.14Å; L224-I226 PolarHBondContact O-N 3.2Å; L224-L248 HydrophobicContact CD1-CD1 3.31Å; L224-I254 HydrophobicContact CD1-CD1 4.36Å; L224-I254 HydrophobicContact CD1-CG1 4.2Å
225N88.7Confident85.6Confident60 Ų6047.3 Ų47.332%0.32126%0.263SS..  trans-7197.2172.1-178.84.2000109.6E220 S223 D227 A228 F229E220-N225 HydrophobicContact CB-CB 4.4Å; E220-N225 WeakPolarHBondContact O-CB 3.49Å; E220-N225 PolarHBondContact O-N 3.47Å; S223-N225 VanDerWaalsContact C-N 3.29Å; N225-D227 PolarHBondContact O-N 3.19Å; N225-D227 PolarHBondContact OD1-N 2.99Å; N225-A228 HydrophobicContact CB-CB 4.18Å; N225-A228 VanDerWaalsContact O-CB 3.31Å; N225-A228 WeakPolarHBondContact O-CB 3.27Å; N225-A228 PolarHBondContact O-N 3.26Å; N225-F229 VanDerWaalsContact O-CD2 3.29Å; N225-F229 WeakPolarHBondContact O-CD2 3.39Å
226I88.5Confident86.5Confident32 Ų3243.8 Ų43.816%0.16425%0.245CC..Hα-helixtrans-54.6-39.3-174.1-55.2-53.7000112.2L224 A228 F229 I230 I254 V273 A274L224-I226 HydrophobicContact CG-CD1 4.14Å; L224-I226 PolarHBondContact O-N 3.2Å; I226-A228 PolarHBondContact O-N 2.97Å; I226-F229 WeakPolarHBondContact O-CB 3.22Å; I226-F229 PolarHBondContact O-N 2.89Å; I226-I230 HydrophobicContact CG2-CD1 4.47Å; I226-I230 WeakPolarHBondContact O-CG1 3.49Å; I226-I230 PolarHBondContact O-N 3.47Å; I226-I254 HydrophobicContact CD1-CD1 3.98Å; I226-V273 HydrophobicContact CD1-CB 4.08Å; I226-V273 HydrophobicContact CD1-CG1 4.38Å; I226-V273 HydrophobicContact CD1-CG2 3.86Å; I226-V273 HydrophobicContact CG1-CB 4.07Å; I226-V273 HydrophobicContact CG1-CG2 4.24Å; I226-V273 HydrophobicContact CG2-CB 4.2Å; I226-V273 HydrophobicContact CG2-CG2 3.91Å; I226-A274 HydrophobicContact CG2-CB 3.97Å
227D87.7Confident87.3Confident129 Ų12943.7 Ų43.769%0.6925%0.245SC*.Hα-helixtrans-60.9-29.9179-66.7-27.4000112.4N225 P231N225-D227 PolarHBondContact O-N 3.19Å; N225-D227 PolarHBondContact OD1-N 2.99Å; D227-P231 WeakPolarHBondContact O-CD 3.33Å
228A89.3Confident88.1Confident8 Ų847.5 Ų47.57%0.06626%0.258CS..Hα-helixtrans-74.8-24.8176.500000112.8F216 E220 I221 N225 I226F216-A228 HydrophobicContact CB-CB 4.02Å; F216-A228 WeakPolarHBondContact CD1-O 3.38Å; F216-A228 WeakPolarHBondContact CE1-O 3.24Å; F216-A228 WeakPolarHBondContact CG-O 3.31Å; E220-A228 HydrophobicContact CB-CB 3.68Å; I221-A228 HydrophobicContact CD1-CB 4.01Å; N225-A228 HydrophobicContact CB-CB 4.18Å; N225-A228 VanDerWaalsContact O-CB 3.31Å; N225-A228 WeakPolarHBondContact O-CB 3.27Å; N225-A228 PolarHBondContact O-N 3.26Å; I226-A228 PolarHBondContact O-N 2.97Å
229F91.1Very high88.9Confident0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-75.2-34.7176.5-73.6-96.7000112.4F204 I221 N225 I226 G232 L233 V246 L248 I254F204-F229 HydrophobicContact CE1-CD1 4.04Å; I221-F229 HydrophobicContact CB-CE2 4.49Å; I221-F229 HydrophobicContact CB-CZ 4.16Å; I221-F229 HydrophobicContact CD1-CD1 3.99Å; I221-F229 HydrophobicContact CD1-CD2 3.9Å; I221-F229 HydrophobicContact CD1-CE1 4.12Å; I221-F229 HydrophobicContact CD1-CE2 4.01Å; I221-F229 HydrophobicContact CD1-CG 3.89Å; I221-F229 HydrophobicContact CD1-CZ 4.13Å; I221-F229 HydrophobicContact CG2-CD1 4.49Å; I221-F229 HydrophobicContact CG2-CE1 3.62Å; I221-F229 HydrophobicContact CG2-CE2 4.28Å; I221-F229 HydrophobicContact CG2-CZ 3.49Å; I221-F229 VanDerWaalsContact CG2-CZ 3.49Å; I221-F229 WeakPolarHBondContact O-CZ 3.5Å; N225-F229 VanDerWaalsContact O-CD2 3.29Å; N225-F229 WeakPolarHBondContact O-CD2 3.39Å; I226-F229 WeakPolarHBondContact O-CB 3.22Å; I226-F229 PolarHBondContact O-N 2.89Å; F229-G232 PolarHBondContact O-N 2.9Å; F229-L233 HydrophobicContact CB-CD1 3.83Å; F229-L233 HydrophobicContact CB-CG 4.3Å; F229-L233 WeakPolarHBondContact O-CB 3.31Å; F229-L233 VanDerWaalsContact O-CG 3.31Å; F229-L233 WeakPolarHBondContact O-CG 3.41Å; F229-L233 PolarHBondContact O-N 3.44Å; F229-V246 HydrophobicContact CD1-CG2 4.38Å; F229-V246 HydrophobicContact CE1-CB 4.17Å; F229-V246 HydrophobicContact CE1-CG1 4.03Å; F229-V246 HydrophobicContact CE1-CG2 4.49Å; F229-L248 HydrophobicContact CE1-CD1 4.42Å; F229-L248 HydrophobicContact CE1-CD2 3.87Å; F229-L248 HydrophobicContact CZ-CD1 4.04Å; F229-L248 HydrophobicContact CZ-CD2 3.75Å; F229-I254 HydrophobicContact CD1-CB 4.2Å; F229-I254 HydrophobicContact CD1-CG1 4.42Å; F229-I254 HydrophobicContact CD1-CG2 3.95Å; F229-I254 HydrophobicContact CE1-CB 4.13Å; F229-I254 HydrophobicContact CE1-CG1 4.11Å; F229-I254 HydrophobicContact CE1-CG2 4.39Å; F229-I254 HydrophobicContact CG-CG2 4.34Å; F229-I254 HydrophobicContact CZ-CG1 4.25Å
230I91.7Very high89.5Confident39 Ų3944.9 Ų44.920%0.224%0.24CC..Hα-helixtrans-53.7-49.8-169.1-59.7-53.2000113.2I226 G232 L233 A234 A274 I276 V285I226-I230 HydrophobicContact CG2-CD1 4.47Å; I226-I230 WeakPolarHBondContact O-CG1 3.49Å; I226-I230 PolarHBondContact O-N 3.47Å; I230-G232 PolarHBondContact O-N 2.89Å; I230-L233 PolarHBondContact O-N 3.34Å; I230-A234 VanDerWaalsContact O-CB 3.31Å; I230-A234 WeakPolarHBondContact O-CB 3.34Å; I230-A234 PolarHBondContact O-N 2.82Å; I230-A274 HydrophobicContact CD1-CB 3.97Å; I230-I276 HydrophobicContact CD1-CG2 3.95Å; I230-I276 HydrophobicContact CG2-CG2 3.77Å; I230-V285 HydrophobicContact CD1-CB 4.44Å; I230-V285 HydrophobicContact CD1-CG1 4.41Å; I230-V285 HydrophobicContact CD1-CG2 3.67Å
231P90.8Very high90.1Very high58 Ų5841.4 Ų41.438%0.37722%0.224SC..Hα-helixtrans-62.3-42.2-178.4-2335.1000112.8L215 D227 A234 Y235L215-P231 HydrophobicContact CB-CB 4.46Å; L215-P231 HydrophobicContact CD1-CB 4.16Å; D227-P231 WeakPolarHBondContact O-CD 3.33Å; P231-A234 PolarHBondContact O-N 3.4Å; P231-Y235 WeakPolarHBondContact O-CB 3.38Å; P231-Y235 PolarHBondContact O-N 2.92Å
232G92.2Very high90.6Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-70.8-38.6-179.200000112.3F229 I230 Y235 L236F229-G232 PolarHBondContact O-N 2.9Å; I230-G232 PolarHBondContact O-N 2.89Å; G232-Y235 WeakPolarHBondContact O-CB 3.32Å; G232-Y235 PolarHBondContact O-N 3.42Å; G232-L236 WeakPolarHBondContact O-CG 3.31Å; G232-L236 PolarHBondContact O-N 2.76Å; G232-L236 VanDerWaalsContact O-N 3.08Å
233L94Very high91.5Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-66.8-40.4174.9-67.5172.4000111.5F204 F229 I230 L236 L237 P244 V246 I254 I256 V285F204-L233 HydrophobicContact CE2-CD2 4.2Å; F204-L233 HydrophobicContact CZ-CD2 4.22Å; F204-L233 HydrophobicContact CZ-CG 4.1Å; F229-L233 HydrophobicContact CB-CD1 3.83Å; F229-L233 HydrophobicContact CB-CG 4.3Å; F229-L233 WeakPolarHBondContact O-CB 3.31Å; F229-L233 VanDerWaalsContact O-CG 3.31Å; F229-L233 WeakPolarHBondContact O-CG 3.41Å; F229-L233 PolarHBondContact O-N 3.44Å; I230-L233 PolarHBondContact O-N 3.34Å; L233-L236 PolarHBondContact O-N 2.94Å; L233-L237 PolarHBondContact O-N 3Å; L233-L237 VanDerWaalsContact O-N 3.07Å; L233-P244 HydrophobicContact CD2-CB 3.92Å; L233-V246 HydrophobicContact CD2-CG2 4Å; L233-I254 HydrophobicContact CD1-CG2 3.89Å; L233-I256 HydrophobicContact CB-CD1 3.53Å; L233-I256 HydrophobicContact CB-CG1 4.12Å; L233-I256 HydrophobicContact CD1-CD1 4.28Å; L233-I256 HydrophobicContact CD1-CG1 4.07Å; L233-I256 HydrophobicContact CD2-CG1 4.43Å; L233-I256 HydrophobicContact CG-CD1 4.37Å; L233-I256 HydrophobicContact CG-CG1 4.46Å; L233-V285 HydrophobicContact CD1-CG1 3.95Å
234A91.8Very high92.1Very high24 Ų2442.4 Ų42.420%0.19821%0.212CC..Hα-helixtrans-62.1-44.1174.300000111.6I230 P231 L236 L237 E238I230-A234 VanDerWaalsContact O-CB 3.31Å; I230-A234 WeakPolarHBondContact O-CB 3.34Å; I230-A234 PolarHBondContact O-N 2.82Å; P231-A234 PolarHBondContact O-N 3.4Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.02Å; A234-L237 WeakPolarHBondContact O-CB 3.48Å; A234-L237 PolarHBondContact O-N 3.32Å; A234-L237 VanDerWaalsContact O-N 3.09Å; A234-E238 WeakPolarHBondContact O-CG 3.31Å; A234-E238 PolarHBondContact O-N 3.48Å
235Y92.4Very high92.7Very high41 Ų4140.1 Ų40.116%0.16120%0.2CC..Hα-helixtrans-55.1-45172.9169.9-90.6000111.9L191 I207 T208 P231 G232 L237 E238 K239L191-Y235 HydrophobicContact CD1-CE1 4.48Å; I207-Y235 VanDerWaalsContact O-CE1 3.27Å; I207-Y235 WeakPolarHBondContact O-CE1 3.27Å; T208-Y235 HydrophobicContact CG2-CD1 4.03Å; P231-Y235 WeakPolarHBondContact O-CB 3.38Å; P231-Y235 PolarHBondContact O-N 2.92Å; G232-Y235 WeakPolarHBondContact O-CB 3.32Å; G232-Y235 PolarHBondContact O-N 3.42Å; Y235-L237 VanDerWaalsContact C-N 3.32Å; Y235-L237 PolarHBondContact O-N 3.1Å; Y235-E238 WeakPolarHBondContact O-CB 3.21Å; Y235-E238 PolarHBondContact O-N 2.76Å; Y235-E238 VanDerWaalsContact O-N 3.13Å; Y235-K239 HydrophobicContact CD1-CG 4.45Å; Y235-K239 HydrophobicContact CE1-CG 4.03Å; Y235-K239 WeakPolarHBondContact O-CG 3.3Å; Y235-K239 PolarHBondContact O-N 3.21Å; Y235-K239 VanDerWaalsContact O-N 3.08Å; Y235-K239 WeakPolarHBondContact OH-CE 3.47Å
236L94.3Very high93.1Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-65.5-34.2178.3-66.1177.5000112.4L191 F204 I207 T208 G232 L233 A234 K239 I241 P244L191-L236 HydrophobicContact CD1-CD2 4.35Å; F204-L236 HydrophobicContact CD2-CD1 4.05Å; F204-L236 HydrophobicContact CE2-CD1 3.74Å; I207-L236 HydrophobicContact CD1-CD1 4.16Å; I207-L236 HydrophobicContact CD1-CD2 3.88Å; I207-L236 HydrophobicContact CG1-CD2 4.27Å; T208-L236 HydrophobicContact CG2-CD2 4.46Å; T208-L236 HydrophobicContact CG2-CG 4.26Å; G232-L236 WeakPolarHBondContact O-CG 3.31Å; G232-L236 PolarHBondContact O-N 2.76Å; G232-L236 VanDerWaalsContact O-N 3.08Å; L233-L236 PolarHBondContact O-N 2.94Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.02Å; L236-K239 PolarHBondContact O-N 3.29Å; L236-I241 HydrophobicContact CB-CD1 3.77Å; L236-I241 HydrophobicContact CD2-CD1 3.61Å; L236-I241 HydrophobicContact CG-CD1 4.21Å; L236-I241 VanDerWaalsContact O-CB 3.3Å; L236-I241 WeakPolarHBondContact O-CB 3.5Å; L236-I241 WeakPolarHBondContact O-CD1 3.41Å; L236-I241 PolarHBondContact O-N 3.07Å; L236-P244 HydrophobicContact CB-CB 4.02Å; L236-P244 HydrophobicContact CB-CG 3.59Å; L236-P244 HydrophobicContact CD1-CB 3.75Å; L236-P244 HydrophobicContact CD1-CG 4.3Å
237L94.6Very high93.5Very high8 Ų836.7 Ų36.74%0.04218%0.183CC..Hα-helixtrans-64.5-40.8170.6-67.1-177.6000112.3L233 A234 Y235 K239 K240 I241 P244 I256 I276 F278 K283L233-L237 PolarHBondContact O-N 3Å; L233-L237 VanDerWaalsContact O-N 3.07Å; A234-L237 WeakPolarHBondContact O-CB 3.48Å; A234-L237 PolarHBondContact O-N 3.32Å; A234-L237 VanDerWaalsContact O-N 3.09Å; Y235-L237 VanDerWaalsContact C-N 3.32Å; Y235-L237 PolarHBondContact O-N 3.1Å; L237-K239 PolarHBondContact O-N 3.25Å; L237-K240 WeakPolarHBondContact O-CA 3.35Å; L237-K240 PolarHBondContact O-N 3.04Å; L237-I241 WeakPolarHBondContact CD2-O 3.37Å; L237-P244 HydrophobicContact CD2-CG 4.31Å; L237-I256 HydrophobicContact CD1-CD1 3.73Å; L237-I256 HydrophobicContact CD1-CG2 4.26Å; L237-I256 HydrophobicContact CD2-CD1 4.49Å; L237-I256 HydrophobicContact CD2-CG2 4.08Å; L237-I256 HydrophobicContact CG-CD1 4.03Å; L237-I276 HydrophobicContact CD1-CD1 4.01Å; L237-F278 VanDerWaalsContact C-CZ 3.49Å; L237-F278 HydrophobicContact CB-CD1 4.11Å; L237-F278 HydrophobicContact CB-CD2 3.92Å; L237-F278 HydrophobicContact CB-CE1 3.97Å; L237-F278 HydrophobicContact CB-CE2 3.79Å; L237-F278 HydrophobicContact CB-CG 4.08Å; L237-F278 HydrophobicContact CB-CZ 3.82Å; L237-F278 HydrophobicContact CD1-CB 3.88Å; L237-F278 HydrophobicContact CD1-CD1 4.17Å; L237-F278 HydrophobicContact CD1-CD2 4.12Å; L237-F278 HydrophobicContact CD1-CG 3.78Å; L237-F278 WeakPolarHBondContact O-CZ 3.09Å; L237-K283 HydrophobicContact CD1-CG 4.18Å
238E94.2Very high93.9Very high127 Ų12730.7 Ų30.759%0.59315%0.151SC*.Hα-helixtrans-60.1-31.5175.1-68.1175.3179.100111.9A234 Y235 K240 F278A234-E238 WeakPolarHBondContact O-CG 3.31Å; A234-E238 PolarHBondContact O-N 3.48Å; Y235-E238 WeakPolarHBondContact O-CB 3.21Å; Y235-E238 PolarHBondContact O-N 2.76Å; Y235-E238 VanDerWaalsContact O-N 3.13Å; E238-K240 PolarHBondContact O-N 2.92Å; E238-F278 HydrophobicContact CB-CE2 4.49Å; E238-F278 HydrophobicContact CG-CE2 3.69Å; E238-F278 HydrophobicContact CG-CZ 4.31Å
239K93.6Very high94Very high39 Ų3933.2 Ų33.217%0.1718%0.178CC..THydrogen-bonded Turntrans-75.69.7171.1-58.2-53.1-175179.90114.2E188 L191 P192 Y235 L236 L237 I241E188-K239 WeakPolarHBondContact OE1-CE 3.04Å; E188-K239 IonicContact OE1-NZ 3.6Å; E188-K239 PolarHBondContact OE1-NZ 2.92Å; E188-K239 WeakPolarHBondContact OE2-CE 3.47Å; E188-K239 IonicContact OE2-NZ 2.75Å; E188-K239 PolarHBondContact OE2-NZ 2.63Å; L191-K239 HydrophobicContact CB-CB 3.93Å; L191-K239 HydrophobicContact CB-CG 4.41Å; L191-K239 HydrophobicContact CD1-CB 4.28Å; L191-K239 HydrophobicContact CD1-CG 3.95Å; P192-K239 VanDerWaalsContact CA-O 3.24Å; P192-K239 WeakPolarHBondContact CA-O 3.34Å; Y235-K239 HydrophobicContact CD1-CG 4.45Å; Y235-K239 HydrophobicContact CE1-CG 4.03Å; Y235-K239 WeakPolarHBondContact O-CG 3.3Å; Y235-K239 PolarHBondContact O-N 3.21Å; Y235-K239 VanDerWaalsContact O-N 3.08Å; Y235-K239 WeakPolarHBondContact OH-CE 3.47Å; L236-K239 PolarHBondContact O-N 3.29Å; L237-K239 PolarHBondContact O-N 3.25Å; K239-I241 HydrophobicContact CB-CD1 4.27Å; K239-I241 HydrophobicContact CB-CG1 4.49Å; K239-I241 PolarHBondContact O-N 3.28Å
240K92.8Very high94.1Very high154 Ų15438.4 Ų38.467%0.6721%0.214SC*.THydrogen-bonded Turntrans66.519178.8-53.1179177.61750114.6L237 E238L237-K240 WeakPolarHBondContact O-CA 3.35Å; L237-K240 PolarHBondContact O-N 3.04Å; E238-K240 PolarHBondContact O-N 2.92Å
241I95.1Very high94.2Very high4 Ų440.5 Ų40.52%0.02122%0.221CC..  trans-72129.9171.1-60.2158.4000107.7L191 V197 L236 L237 K239 P244L191-I241 HydrophobicContact CB-CD1 4.14Å; L191-I241 HydrophobicContact CB-CG1 4.49Å; L191-I241 HydrophobicContact CD2-CD1 4.09Å; L191-I241 HydrophobicContact CG-CD1 4.49Å; V197-I241 HydrophobicContact CB-CD1 4.15Å; V197-I241 HydrophobicContact CB-CG2 4.22Å; V197-I241 HydrophobicContact CG2-CB 4.46Å; V197-I241 HydrophobicContact CG2-CD1 3.5Å; V197-I241 HydrophobicContact CG2-CG1 3.78Å; V197-I241 HydrophobicContact CG2-CG2 3.81Å; L236-I241 HydrophobicContact CB-CD1 3.77Å; L236-I241 HydrophobicContact CD2-CD1 3.61Å; L236-I241 HydrophobicContact CG-CD1 4.21Å; L236-I241 VanDerWaalsContact O-CB 3.3Å; L236-I241 WeakPolarHBondContact O-CB 3.5Å; L236-I241 WeakPolarHBondContact O-CD1 3.41Å; L236-I241 PolarHBondContact O-N 3.07Å; L237-I241 WeakPolarHBondContact CD2-O 3.37Å; K239-I241 HydrophobicContact CB-CD1 4.27Å; K239-I241 HydrophobicContact CB-CG1 4.49Å; K239-I241 PolarHBondContact O-N 3.28Å; I241-P244 HydrophobicContact CB-CG 4.39Å; I241-P244 HydrophobicContact CG2-CG 3.99Å
242K92.5Very high94.5Very high116 Ų11638 Ų3850%0.50421%0.206SC..SBendtrans-76.6-41.8-176.7-66.4-178.1-176.6154.50112.3D195D195-K242 HydrophobicContact CB-CD 4.46Å; D195-K242 WeakPolarHBondContact O-CB 3.34Å; D195-K242 PolarHBondContact O-N 3.15Å; D195-K242 VanDerWaalsContact O-N 3.1Å; D195-K242 VanDerWaalsContact OD1-CD 3.29Å; D195-K242 WeakPolarHBondContact OD1-CD 3.22Å; D195-K242 WeakPolarHBondContact OD1-CE 3.48Å; D195-K242 IonicContact OD1-NZ 3.11Å; D195-K242 PolarHBondContact OD1-NZ 3.01Å
243C96.3Very high94.7Very high4 Ų438.1 Ų38.13%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-140.190.3-178-175.30000110.7D195 F196 V197 I245 I256 L322D195-C243 PolarHBondContact O-N 3.28Å; F196-C243 WeakPolarHBondContact CA-O 3.39Å; F196-C243 HydrophobicContact CD1-CB 3.66Å; F196-C243 HydrophobicContact CE1-CB 3.83Å; V197-C243 PolarHBondContact N-O 2.93Å; C243-I245 VanDerWaalsContact SG-CG1 3.59Å; C243-I256 PolarHBondContact SG-O 3.47Å; C243-L322 HydrophobicContact CB-CD2 4.04Å
244P97.1Very high94.9Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-64.5132.5163.3-18.631.5000110.9L233 L236 L237 I241 A255 I256L233-P244 HydrophobicContact CD2-CB 3.92Å; L236-P244 HydrophobicContact CB-CB 4.02Å; L236-P244 HydrophobicContact CB-CG 3.59Å; L236-P244 HydrophobicContact CD1-CB 3.75Å; L236-P244 HydrophobicContact CD1-CG 4.3Å; L237-P244 HydrophobicContact CD2-CG 4.31Å; I241-P244 HydrophobicContact CB-CG 4.39Å; I241-P244 HydrophobicContact CG2-CG 3.99Å; P244-A255 VanDerWaalsContact O-CA 3.29Å; P244-A255 WeakPolarHBondContact O-CA 3.42Å; P244-I256 PolarHBondContact O-N 3.02Å; P244-I256 VanDerWaalsContact O-N 3.16Å
245I98.2Very high95.2Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-134.3101-178.9-54.7170000109.8F196 V197 C198 P199 C243 V253 I254 A255 F306 L310 I326F196-I245 HydrophobicContact CD1-CD1 4.12Å; V197-I245 PolarHBondContact O-N 2.96Å; C198-I245 VanDerWaalsContact CA-O 3.27Å; C198-I245 WeakPolarHBondContact CA-O 3.41Å; P199-I245 WeakPolarHBondContact CD-O 3.4Å; C243-I245 VanDerWaalsContact SG-CG1 3.59Å; I245-V253 HydrophobicContact CG2-CB 3.96Å; I245-V253 HydrophobicContact CG2-CG1 4.38Å; I245-V253 HydrophobicContact CG2-CG2 4Å; I245-I254 CarbonylContact C-O 3.56Å; I245-I254 WeakPolarHBondContact CA-O 3.48Å; I245-A255 HydrophobicContact CB-CB 4.46Å; I245-A255 HydrophobicContact CG1-CB 3.98Å; I245-A255 HydrophobicContact CG2-CB 4.38Å; I245-F306 HydrophobicContact CG2-CE1 3.95Å; I245-F306 HydrophobicContact CG2-CZ 3.82Å; I245-L310 HydrophobicContact CD1-CD2 3.61Å; I245-I326 HydrophobicContact CD1-CD1 3.86Å; I245-I326 HydrophobicContact CD1-CG1 4.08Å; I245-I326 HydrophobicContact CG1-CD1 4.31Å
246V97.6Very high95.4Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans-85.9119.7178.8-169.80000109.9P199 F204 F229 L233 L248 V253 I254P199-V246 HydrophobicContact CG-CG2 4.35Å; P199-V246 CarbonylContact O-C 3.59Å; P199-V246 WeakPolarHBondContact O-CA 3.18Å; F204-V246 HydrophobicContact CB-CG1 3.92Å; F204-V246 HydrophobicContact CB-CG2 4.37Å; F204-V246 HydrophobicContact CD1-CG1 4.18Å; F204-V246 HydrophobicContact CD1-CG2 4.08Å; F204-V246 HydrophobicContact CD2-CG2 3.52Å; F204-V246 HydrophobicContact CE1-CG2 4.21Å; F204-V246 HydrophobicContact CE2-CG2 3.68Å; F204-V246 HydrophobicContact CG-CG1 3.98Å; F204-V246 HydrophobicContact CG-CG2 3.72Å; F204-V246 HydrophobicContact CZ-CG2 4.03Å; F229-V246 HydrophobicContact CD1-CG2 4.38Å; F229-V246 HydrophobicContact CE1-CB 4.17Å; F229-V246 HydrophobicContact CE1-CG1 4.03Å; F229-V246 HydrophobicContact CE1-CG2 4.49Å; L233-V246 HydrophobicContact CD2-CG2 4Å; V246-L248 HydrophobicContact CG1-CD2 3.9Å; V246-V253 CarbonylContact O-C 3.56Å; V246-V253 WeakPolarHBondContact O-CA 3.34Å; V246-V253 WeakPolarHBondContact O-CB 3.46Å; V246-I254 PolarHBondContact N-O 2.65Å; V246-I254 PolarHBondContact O-N 3.23Å
247T97.1Very high95.5Very high20 Ų2035.2 Ų35.212%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-84.2138.1174.969.10000111.3P199 N200 V253 F306P199-T247 PolarHBondContact O-N 3.27Å; P199-T247 PolarHBondContact O-OG1 3.18Å; N200-T247 WeakPolarHBondContact CA-O 3.15Å; N200-T247 WeakPolarHBondContact CA-OG1 3.18Å; T247-V253 HydrophobicContact CG2-CG1 4.04Å; T247-F306 HydrophobicContact CG2-CD1 3.74Å; T247-F306 HydrophobicContact CG2-CE1 3.96Å; T247-F306 HydrophobicContact CG2-CG 4.45Å
248L95.4Very high95.5Very high3 Ų336.1 Ų36.12%0.01620%0.198CC..  trans-128.728.6-168.6-53.4176.8000112.9E201 I221 L224 F229 V246 S250 K251 G252 I254E201-L248 HydrophobicContact CG-CD2 3.69Å; E201-L248 WeakPolarHBondContact OE1-CA 3.49Å; I221-L248 HydrophobicContact CG2-CD2 4.19Å; L224-L248 HydrophobicContact CD1-CD1 3.31Å; F229-L248 HydrophobicContact CE1-CD1 4.42Å; F229-L248 HydrophobicContact CE1-CD2 3.87Å; F229-L248 HydrophobicContact CZ-CD1 4.04Å; F229-L248 HydrophobicContact CZ-CD2 3.75Å; V246-L248 HydrophobicContact CG1-CD2 3.9Å; L248-S250 PolarHBondContact O-N 3.24Å; L248-K251 HydrophobicContact CB-CB 3.83Å; L248-K251 WeakPolarHBondContact O-CB 3.37Å; L248-K251 PolarHBondContact O-N 3.22Å; L248-G252 WeakPolarHBondContact CA-O 3.44Å; L248-G252 WeakPolarHBondContact CB-O 3.32Å; L248-G252 PolarHBondContact N-O 2.77Å; L248-I254 HydrophobicContact CD1-CB 4.39Å; L248-I254 HydrophobicContact CD1-CG1 3.6Å
249G92.2Very high95.4Very high61 Ų6135.2 Ų35.263%0.62919%0.194SC*.G310 helixtrans54.4-122.4-176.600000112.6K251 G252G249-K251 PolarHBondContact O-N 3.44Å; G249-K251 VanDerWaalsContact O-N 3.13Å; G249-G252 PolarHBondContact O-N 3.34Å; G249-G252 VanDerWaalsContact O-N 3.13Å
250S92.2Very high95.4Very high109 Ų10941 Ų4176%0.76222%0.221SC*.G310 helixtrans-66.5-9.8-179.758.80000114.4L248L248-S250 PolarHBondContact O-N 3.24Å
251K94.7Very high95.5Very high82 Ų8235.9 Ų35.936%0.35720%0.201SC..G310 helixtrans-90.6-2.7176.1-58.5-177.7177.3-168.60112.8G222 L248 G249 H287G222-K251 PolarHBondContact O-NZ 3.24Å; L248-K251 HydrophobicContact CB-CB 3.83Å; L248-K251 WeakPolarHBondContact O-CB 3.37Å; L248-K251 PolarHBondContact O-N 3.22Å; G249-K251 PolarHBondContact O-N 3.44Å; G249-K251 VanDerWaalsContact O-N 3.13Å; K251-H287 PolarHBondContact O-NE2 2.87Å
252G95.9Very high95.5Very high5 Ų537 Ų375%0.05221%0.207CC..  trans84.2-132.8179.500000112.6L248 G249 F288L248-G252 WeakPolarHBondContact CA-O 3.44Å; L248-G252 WeakPolarHBondContact CB-O 3.32Å; L248-G252 PolarHBondContact N-O 2.77Å; G249-G252 PolarHBondContact O-N 3.34Å; G249-G252 VanDerWaalsContact O-N 3.13Å; G252-F288 CarbonylContact C-O 3.6Å; G252-F288 VanDerWaalsContact CA-O 3.25Å; G252-F288 WeakPolarHBondContact CA-O 3.18Å
253V97.7Very high95.5Very high4 Ų433.4 Ų33.42%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-137.6150.1-176.1-49.30000112.9I245 V246 T247 H287 F288 F306 I326 V330I245-V253 HydrophobicContact CG2-CB 3.96Å; I245-V253 HydrophobicContact CG2-CG1 4.38Å; I245-V253 HydrophobicContact CG2-CG2 4Å; V246-V253 CarbonylContact O-C 3.56Å; V246-V253 WeakPolarHBondContact O-CA 3.34Å; V246-V253 WeakPolarHBondContact O-CB 3.46Å; T247-V253 HydrophobicContact CG2-CG1 4.04Å; V253-H287 PolarHBondContact O-CD2 2.96Å; V253-F288 HydrophobicContact CG2-CB 3.79Å; V253-F288 HydrophobicContact CG2-CD2 3.86Å; V253-F288 HydrophobicContact CG2-CG 4.23Å; V253-F288 PolarHBondContact N-O 3.32Å; V253-F288 PolarHBondContact O-N 2.79Å; V253-F306 HydrophobicContact CG1-CD2 4.34Å; V253-F306 HydrophobicContact CG1-CE1 4.33Å; V253-F306 HydrophobicContact CG1-CE2 3.87Å; V253-F306 HydrophobicContact CG1-CZ 3.88Å; V253-F306 HydrophobicContact CG2-CZ 4.4Å; V253-I326 HydrophobicContact CG2-CG2 3.53Å; V253-V330 HydrophobicContact CG1-CG2 3.95Å; V253-V330 HydrophobicContact CG2-CG2 3.89Å
254I97.8Very high95Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-109.1128.8167.8-71.6-79.3000107.9L224 I226 F229 L233 I245 V246 L248 V273 V285 V286 H287L224-I254 HydrophobicContact CD1-CD1 4.36Å; L224-I254 HydrophobicContact CD1-CG1 4.2Å; I226-I254 HydrophobicContact CD1-CD1 3.98Å; F229-I254 HydrophobicContact CD1-CB 4.2Å; F229-I254 HydrophobicContact CD1-CG1 4.42Å; F229-I254 HydrophobicContact CD1-CG2 3.95Å; F229-I254 HydrophobicContact CE1-CB 4.13Å; F229-I254 HydrophobicContact CE1-CG1 4.11Å; F229-I254 HydrophobicContact CE1-CG2 4.39Å; F229-I254 HydrophobicContact CG-CG2 4.34Å; F229-I254 HydrophobicContact CZ-CG1 4.25Å; L233-I254 HydrophobicContact CD1-CG2 3.89Å; I245-I254 CarbonylContact C-O 3.56Å; I245-I254 WeakPolarHBondContact CA-O 3.48Å; V246-I254 PolarHBondContact N-O 2.65Å; V246-I254 PolarHBondContact O-N 3.23Å; L248-I254 HydrophobicContact CD1-CB 4.39Å; L248-I254 HydrophobicContact CD1-CG1 3.6Å; I254-V273 HydrophobicContact CD1-CG2 4.22Å; I254-V285 HydrophobicContact CG2-CG1 3.96Å; I254-V286 WeakPolarHBondContact CA-O 3.41Å; I254-H287 HydrophobicContact CD1-CB 3.51Å
255A97.7Very high94.7Very high0 Ų039.7 Ų39.70%023%0.231CC..EExtended strand (participates in β ladder)trans-132.3155.3178.800000112.1P244 I245 L257 V286 F288 I326P244-A255 VanDerWaalsContact O-CA 3.29Å; P244-A255 WeakPolarHBondContact O-CA 3.42Å; I245-A255 HydrophobicContact CB-CB 4.46Å; I245-A255 HydrophobicContact CG1-CB 3.98Å; I245-A255 HydrophobicContact CG2-CB 4.38Å; A255-L257 HydrophobicContact CB-CG 4.38Å; A255-V286 PolarHBondContact N-O 2.87Å; A255-V286 PolarHBondContact O-N 3.37Å; A255-F288 HydrophobicContact CB-CE2 4.18Å; A255-I326 HydrophobicContact CB-CD1 4.11Å
256I96.4Very high94Very high1 Ų149 Ų491%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-96.4129.9161.8-72.1-171.5000110L233 L237 C243 P244 I276 K283 L284 V285L233-I256 HydrophobicContact CB-CD1 3.53Å; L233-I256 HydrophobicContact CB-CG1 4.12Å; L233-I256 HydrophobicContact CD1-CD1 4.28Å; L233-I256 HydrophobicContact CD1-CG1 4.07Å; L233-I256 HydrophobicContact CD2-CG1 4.43Å; L233-I256 HydrophobicContact CG-CD1 4.37Å; L233-I256 HydrophobicContact CG-CG1 4.46Å; L237-I256 HydrophobicContact CD1-CD1 3.73Å; L237-I256 HydrophobicContact CD1-CG2 4.26Å; L237-I256 HydrophobicContact CD2-CD1 4.49Å; L237-I256 HydrophobicContact CD2-CG2 4.08Å; L237-I256 HydrophobicContact CG-CD1 4.03Å; C243-I256 PolarHBondContact SG-O 3.47Å; P244-I256 PolarHBondContact O-N 3.02Å; P244-I256 VanDerWaalsContact O-N 3.16Å; I256-I276 HydrophobicContact CD1-CD1 3.54Å; I256-I276 HydrophobicContact CD1-CG1 4.47Å; I256-K283 HydrophobicContact CG2-CB 3.87Å; I256-K283 HydrophobicContact CG2-CD 4.37Å; I256-K283 HydrophobicContact CG2-CG 4.31Å; I256-L284 WeakPolarHBondContact CA-O 3.38Å; I256-V285 HydrophobicContact CG1-CG2 4.24Å
257L96.4Very high93.5Very high2 Ų249.4 Ų49.41%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-135.2158.4-178.8-65.3177.5000111.2A255 D261 M262 L284 V286 F288 L322 A323 I326A255-L257 HydrophobicContact CB-CG 4.38Å; L257-D261 HydrophobicContact CB-CB 3.96Å; L257-D261 HydrophobicContact CD2-CB 4.02Å; L257-D261 HydrophobicContact CG-CB 4.43Å; L257-M262 HydrophobicContact CB-CG 4.18Å; L257-M262 HydrophobicContact CD1-CG 4.07Å; L257-M262 HydrophobicContact CD1-SD 3.73Å; L257-L284 PolarHBondContact N-O 3.32Å; L257-L284 PolarHBondContact O-N 3.41Å; L257-V286 HydrophobicContact CB-CG2 4.48Å; L257-V286 HydrophobicContact CD1-CB 4.38Å; L257-V286 HydrophobicContact CD1-CG2 4.23Å; L257-F288 HydrophobicContact CD1-CE2 3.78Å; L257-F288 HydrophobicContact CD1-CZ 3.58Å; L257-L322 HydrophobicContact CD2-CB 4.43Å; L257-L322 HydrophobicContact CD2-CD2 3.5Å; L257-L322 HydrophobicContact CD2-CG 3.76Å; L257-A323 HydrophobicContact CD1-CB 3.97Å; L257-I326 HydrophobicContact CD1-CD1 4.36Å; L257-I326 HydrophobicContact CD2-CD1 3.97Å
258S94.3Very high93.1Very high27 Ų2758.1 Ų58.119%0.18931%0.307CS..  trans-83.9166166.669.70000111.6Q260 D261 M262S258-Q260 PolarHBondContact O-N 3.27Å; S258-Q260 PolarHBondContact OG-N 3.15Å; S258-D261 WeakPolarHBondContact CB-OD2 3.39Å; S258-D261 PolarHBondContact N-OD2 2.86Å; S258-D261 WeakPolarHBondContact O-CB 3.32Å; S258-D261 PolarHBondContact O-N 3.2Å; S258-D261 VanDerWaalsContact O-N 3.14Å; S258-D261 PolarHBondContact OG-N 3.45Å; S258-D261 PolarHBondContact OG-OD2 2.79Å; S258-M262 PolarHBondContact O-N 2.98Å
259E93.1Very high93Very high109 Ų10958.7 Ų58.751%0.50931%0.31SS..THydrogen-bonded Turntrans-59-34.4171.9-64.4-164.6151.700112.2M262 A263 R275 L284E259-M262 CarbonylContact O-C 3.57Å; E259-M262 PolarHBondContact O-N 3.36Å; E259-A263 PolarHBondContact O-N 2.92Å; E259-A263 VanDerWaalsContact O-N 3.11Å; E259-R275 IonicContact OE1-NH1 3.49Å; E259-L284 HydrophobicContact CG-CD1 4.24Å; E259-L284 HydrophobicContact CG-CG 4.48Å
260Q93.6Very high93.2Very high161 Ų16156.5 Ų56.575%0.75229%0.286SS*.THydrogen-bonded Turntrans-65.8-39.6176.3-176.2178.83.400111.7S258 M262 A263S258-Q260 PolarHBondContact O-N 3.27Å; S258-Q260 PolarHBondContact OG-N 3.15Å; Q260-M262 PolarHBondContact O-N 3.28Å; Q260-A263 VanDerWaalsContact O-CB 3.27Å; Q260-A263 WeakPolarHBondContact O-CB 3.45Å; Q260-A263 PolarHBondContact O-N 3.13Å
261D95.4Very high93.3Very high46 Ų4653.7 Ų53.725%0.24627%0.267CS..THydrogen-bonded Turntrans-65.8-24.2176.9-63.5-47.9000112.3L257 S258 T321 L322 A323L257-D261 HydrophobicContact CB-CB 3.96Å; L257-D261 HydrophobicContact CD2-CB 4.02Å; L257-D261 HydrophobicContact CG-CB 4.43Å; S258-D261 WeakPolarHBondContact CB-OD2 3.39Å; S258-D261 PolarHBondContact N-OD2 2.86Å; S258-D261 WeakPolarHBondContact O-CB 3.32Å; S258-D261 PolarHBondContact O-N 3.2Å; S258-D261 VanDerWaalsContact O-N 3.14Å; S258-D261 PolarHBondContact OG-N 3.45Å; S258-D261 PolarHBondContact OG-OD2 2.79Å; D261-T321 VanDerWaalsContact O-CB 3.22Å; D261-T321 WeakPolarHBondContact O-CB 3.2Å; D261-T321 PolarHBondContact O-OG1 2.83Å; D261-L322 HydrophobicContact CB-CB 4.1Å; D261-A323 WeakPolarHBondContact O-CB 3.44Å; D261-A323 PolarHBondContact O-N 3.16Å
262M94.4Very high93.4Very high28 Ų2854.2 Ų54.214%0.13827%0.27CS..THydrogen-bonded Turntrans-98.14.8177.4-75-64.6-67.500113.6L257 S258 E259 Q260 N264 I265 A270 L284 V286 F288 A323L257-M262 HydrophobicContact CB-CG 4.18Å; L257-M262 HydrophobicContact CD1-CG 4.07Å; L257-M262 HydrophobicContact CD1-SD 3.73Å; S258-M262 PolarHBondContact O-N 2.98Å; E259-M262 CarbonylContact O-C 3.57Å; E259-M262 PolarHBondContact O-N 3.36Å; Q260-M262 PolarHBondContact O-N 3.28Å; M262-N264 PolarHBondContact O-N 3.13Å; M262-I265 HydrophobicContact CE-CB 4.05Å; M262-I265 HydrophobicContact CE-CG2 3.91Å; M262-I265 WeakPolarHBondContact O-CB 3.35Å; M262-I265 WeakPolarHBondContact O-CG1 3.29Å; M262-I265 PolarHBondContact O-N 2.99Å; M262-I265 VanDerWaalsContact O-N 3.15Å; M262-I265 HydrophobicContact SD-CG1 4.45Å; M262-A270 HydrophobicContact CE-CB 4.49Å; M262-L284 HydrophobicContact CB-CD1 3.96Å; M262-L284 HydrophobicContact CG-CD1 3.83Å; M262-V286 HydrophobicContact CE-CG1 3.9Å; M262-V286 HydrophobicContact CE-CG2 4.15Å; M262-V286 HydrophobicContact CG-CG2 4.07Å; M262-V286 HydrophobicContact SD-CB 4.47Å; M262-V286 HydrophobicContact SD-CG1 4Å; M262-V286 HydrophobicContact SD-CG2 3.89Å; M262-F288 HydrophobicContact SD-CZ 4.13Å; M262-A323 HydrophobicContact CG-CB 4.49Å; M262-A323 HydrophobicContact SD-CB 3.42Å; M262-A323 WeakPolarHBondContact SD-CB 3.42Å
263A91.9Very high93.3Very high39 Ų3956.4 Ų56.432%0.32228%0.283SS..THydrogen-bonded Turntrans-57.5130.1-176.900000111.4E259 Q260 I265 T321E259-A263 PolarHBondContact O-N 2.92Å; E259-A263 VanDerWaalsContact O-N 3.11Å; Q260-A263 VanDerWaalsContact O-CB 3.27Å; Q260-A263 WeakPolarHBondContact O-CB 3.45Å; Q260-A263 PolarHBondContact O-N 3.13Å; A263-I265 PolarHBondContact O-N 3.2Å; A263-T321 HydrophobicContact CB-CG2 4.46Å
264N86.3Confident93.2Very high112 Ų11257.5 Ų57.560%0.59929%0.292SS*.THydrogen-bonded Turntrans61.819.9179.3-48.3-55.7000115.5M262 Y266M262-N264 PolarHBondContact O-N 3.13Å; N264-Y266 HydrophobicContact CB-CE2 4.24Å; N264-Y266 VanDerWaalsContact O-CD2 3.31Å; N264-Y266 WeakPolarHBondContact O-CD2 3.31Å
265I89.8Confident93.1Very high24 Ų2462.9 Ų62.912%0.12331%0.312CS..  trans-86.7111.5173.4-59.3-64000109.8M262 A263 A270 A323 E324M262-I265 HydrophobicContact CE-CB 4.05Å; M262-I265 HydrophobicContact CE-CG2 3.91Å; M262-I265 WeakPolarHBondContact O-CB 3.35Å; M262-I265 WeakPolarHBondContact O-CG1 3.29Å; M262-I265 PolarHBondContact O-N 2.99Å; M262-I265 VanDerWaalsContact O-N 3.15Å; M262-I265 HydrophobicContact SD-CG1 4.45Å; A263-I265 PolarHBondContact O-N 3.2Å; I265-A270 HydrophobicContact CG2-CB 3.73Å; I265-A323 HydrophobicContact CD1-CB 4.03Å; I265-A323 HydrophobicContact CG1-CB 3.71Å; I265-E324 HydrophobicContact CD1-CB 4.28Å
266Y84.4Confident92.9Very high197 Ų19764 Ų6477%0.77332%0.318SS*.  trans-120.59.6177.5-55.6-73.5000113.2N264N264-Y266 HydrophobicContact CB-CE2 4.24Å; N264-Y266 VanDerWaalsContact O-CD2 3.31Å; N264-Y266 WeakPolarHBondContact O-CD2 3.31Å
267A87.2Confident92.7Very high7 Ų769.1 Ų69.16%0.05835%0.349CS..  trans-78.5142.5-173.900000111.8D269 A270A267-D269 WeakPolarHBondContact CB-OD1 3.47Å; A267-D269 PolarHBondContact O-N 3.03Å; A267-A270 PolarHBondContact O-N 3.48Å; A267-A270 VanDerWaalsContact O-N 3.14Å
268K89.4Confident92.5Very high203 Ų20370.8 Ų70.888%0.88336%0.357SS*.THydrogen-bonded Turntrans-68.4-21.3-173.1-64.9-179.2-179.9177.20113.8A270K268-A270 VanDerWaalsContact C-N 3.27Å
269D93Very high92.3Very high15 Ų1576.9 Ų76.98%0.0838%0.382CS..THydrogen-bonded Turntrans-77.2-12.1177.259.1-61.3000112.8A267 F288 S289 R327 W364A267-D269 WeakPolarHBondContact CB-OD1 3.47Å; A267-D269 PolarHBondContact O-N 3.03Å; D269-F288 CarbonylContact O-C 3.49Å; D269-F288 WeakPolarHBondContact O-CA 3.48Å; D269-S289 PolarHBondContact O-N 2.99Å; D269-R327 VanDerWaalsContact CG-NE 3.35Å; D269-R327 IonicContact OD1-CZ 2.72Å; D269-R327 IonicContact OD1-NE 3.21Å; D269-R327 PolarHBondContact OD1-NE 3.4Å; D269-R327 IonicContact OD1-NH2 3.46Å; D269-R327 PolarHBondContact OD1-NH2 3.16Å; D269-R327 WeakPolarHBondContact OD2-CG 3.19Å; D269-R327 IonicContact OD2-CZ 3.48Å; D269-R327 IonicContact OD2-NE 3.7Å; D269-R327 PolarHBondContact OD2-NE 3.31Å; D269-R327 IonicContact OD2-NH2 3.62Å; D269-R327 PolarHBondContact OD2-NH2 3.14Å; D269-W364 HydrophobicContact CB-CD2 4.39Å; D269-W364 HydrophobicContact CB-CE3 4.03Å; D269-W364 HydrophobicContact CB-CH2 3.54Å; D269-W364 HydrophobicContact CB-CZ2 3.88Å; D269-W364 HydrophobicContact CB-CZ3 3.57Å; D269-W364 WeakPolarHBondContact OD2-CZ2 3.41Å
270A95.8Very high92.1Very high15 Ų1579.5 Ų79.512%0.12440%0.399CS..EExtended strand (participates in β ladder)trans-110.7116176.100000110.7M262 I265 A267 K268 V286 H287 F288M262-A270 HydrophobicContact CE-CB 4.49Å; I265-A270 HydrophobicContact CG2-CB 3.73Å; A267-A270 PolarHBondContact O-N 3.48Å; A267-A270 VanDerWaalsContact O-N 3.14Å; K268-A270 VanDerWaalsContact C-N 3.27Å; A270-V286 HydrophobicContact CB-CG1 4.48Å; A270-H287 WeakPolarHBondContact CA-O 3.4Å; A270-F288 HydrophobicContact CB-CD1 3.65Å; A270-F288 HydrophobicContact CB-CE1 3.53Å
271S95.2Very high92Very high51 Ų5177.1 Ų77.136%0.35739%0.389SS..EExtended strand (participates in β ladder)trans-123.8124.1-179.3-65.20000111V273 V286 H287S271-V273 PolarHBondContact O-N 3.06Å; S271-V286 CarbonylContact O-C 3.54Å; S271-V286 WeakPolarHBondContact O-CA 3.43Å; S271-H287 PolarHBondContact N-O 2.84Å; S271-H287 PolarHBondContact O-N 3.13Å
272E95Very high91.9Very high92 Ų9279.8 Ų79.843%0.4340%0.399SS..EExtended strand (participates in β ladder)trans-67.1116.2164.2-172.3-169.4127.200108.1R275 L284E272-R275 VanDerWaalsContact OE1-CG 3.23Å; E272-R275 WeakPolarHBondContact OE1-CG 3.49Å; E272-R275 IonicContact OE1-CZ 2.84Å; E272-R275 IonicContact OE1-NE 2.76Å; E272-R275 PolarHBondContact OE1-NE 2.83Å; E272-R275 IonicContact OE1-NH2 2.98Å; E272-R275 PolarHBondContact OE1-NH2 3.45Å; E272-R275 IonicContact OE2-CZ 2.67Å; E272-R275 IonicContact OE2-NE 2.64Å; E272-R275 IonicContact OE2-NH2 3.33Å; E272-R275 PolarHBondContact OE2-NH2 3.45Å; E272-L284 HydrophobicContact CG-CD2 4.4Å
273V95.4Very high92Very high52 Ų5280.1 Ų80.132%0.31540%0.4SS..EExtended strand (participates in β ladder)trans-108.4-21.4-175.5-68.40000113I226 I254 S271 V285 H287I226-V273 HydrophobicContact CD1-CB 4.08Å; I226-V273 HydrophobicContact CD1-CG1 4.38Å; I226-V273 HydrophobicContact CD1-CG2 3.86Å; I226-V273 HydrophobicContact CG1-CB 4.07Å; I226-V273 HydrophobicContact CG1-CG2 4.24Å; I226-V273 HydrophobicContact CG2-CB 4.2Å; I226-V273 HydrophobicContact CG2-CG2 3.91Å; I254-V273 HydrophobicContact CD1-CG2 4.22Å; S271-V273 PolarHBondContact O-N 3.06Å; V273-V285 HydrophobicContact CG2-CB 4.21Å; V273-V285 HydrophobicContact CG2-CG1 3.81Å; V273-V285 VanDerWaalsContact CG2-O 3.29Å; V273-V285 WeakPolarHBondContact CG2-O 3.1Å; V273-V285 PolarHBondContact N-O 3.17Å; V273-H287 HydrophobicContact CG1-CB 3.71Å; V273-H287 HydrophobicContact CG2-CB 4.35Å
274A95.6Very high92.2Very high26 Ų2678.6 Ų78.622%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-159.4165171.800000110.8I226 I230 V285I226-A274 HydrophobicContact CG2-CB 3.97Å; I230-A274 HydrophobicContact CD1-CB 3.97Å; A274-V285 HydrophobicContact CB-CB 4.03Å; A274-V285 HydrophobicContact CB-CG2 4.17Å; A274-V285 PolarHBondContact N-O 3.26Å; A274-V285 PolarHBondContact O-N 2.91Å
275R94.8Very high92.7Very high113 Ų11373.3 Ų73.343%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-122.6140.2167.2-63.7-171.9177.5-138.3-13.8109.5E259 E272 E282 K283 L284E259-R275 IonicContact OE1-NH1 3.49Å; E272-R275 VanDerWaalsContact OE1-CG 3.23Å; E272-R275 WeakPolarHBondContact OE1-CG 3.49Å; E272-R275 IonicContact OE1-CZ 2.84Å; E272-R275 IonicContact OE1-NE 2.76Å; E272-R275 PolarHBondContact OE1-NE 2.83Å; E272-R275 IonicContact OE1-NH2 2.98Å; E272-R275 PolarHBondContact OE1-NH2 3.45Å; E272-R275 IonicContact OE2-CZ 2.67Å; E272-R275 IonicContact OE2-NE 2.64Å; E272-R275 IonicContact OE2-NH2 3.33Å; E272-R275 PolarHBondContact OE2-NH2 3.45Å; R275-E282 WeakPolarHBondContact CD-OE1 3.5Å; R275-E282 IonicContact NH1-OE1 3.52Å; R275-E282 PolarHBondContact NH1-OE1 3.26Å; R275-E282 VanDerWaalsContact NH1-OE1 3.11Å; R275-K283 WeakPolarHBondContact CA-O 3.4Å; R275-L284 HydrophobicContact CG-CD2 3.97Å
276I93.8Very high93Very high24 Ų2472.1 Ų72.112%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-128.8147.8172.668.9175.1000110I230 L237 I256 K283 V285I230-I276 HydrophobicContact CD1-CG2 3.95Å; I230-I276 HydrophobicContact CG2-CG2 3.77Å; L237-I276 HydrophobicContact CD1-CD1 4.01Å; I256-I276 HydrophobicContact CD1-CD1 3.54Å; I256-I276 HydrophobicContact CD1-CG1 4.47Å; I276-K283 HydrophobicContact CG1-CB 3.87Å; I276-K283 PolarHBondContact N-O 2.77Å; I276-K283 PolarHBondContact O-N 3Å; I276-V285 HydrophobicContact CG2-CG2 4.32Å
277T93Very high93.7Very high108 Ų10863.6 Ų63.666%0.66332%0.319SS*.EExtended strand (participates in β ladder)trans-97.5122.1173.6-55.50000108.9
278F91.4Very high94.1Very high37 Ų3763.3 Ų63.316%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-131.3126.1176.5-176.2-96.7000109.4L237 E238 N280 Q281 K283L237-F278 VanDerWaalsContact C-CZ 3.49Å; L237-F278 HydrophobicContact CB-CD1 4.11Å; L237-F278 HydrophobicContact CB-CD2 3.92Å; L237-F278 HydrophobicContact CB-CE1 3.97Å; L237-F278 HydrophobicContact CB-CE2 3.79Å; L237-F278 HydrophobicContact CB-CG 4.08Å; L237-F278 HydrophobicContact CB-CZ 3.82Å; L237-F278 HydrophobicContact CD1-CB 3.88Å; L237-F278 HydrophobicContact CD1-CD1 4.17Å; L237-F278 HydrophobicContact CD1-CD2 4.12Å; L237-F278 HydrophobicContact CD1-CG 3.78Å; L237-F278 WeakPolarHBondContact O-CZ 3.09Å; E238-F278 HydrophobicContact CB-CE2 4.49Å; E238-F278 HydrophobicContact CG-CE2 3.69Å; E238-F278 HydrophobicContact CG-CZ 4.31Å; F278-N280 PolarHBondContact O-N 3.38Å; F278-Q281 PolarHBondContact N-O 3.37Å; F278-Q281 PolarHBondContact O-N 2.93Å; F278-Q281 VanDerWaalsContact O-O 3.13Å; F278-K283 HydrophobicContact CB-CG 4.14Å
279E89.9Confident94.4Very high156 Ų15655.7 Ų55.773%0.72929%0.289SS*.THydrogen-bonded Turntrans49.142-176.9-65.4-175.8160.400113.9Q281E279-Q281 PolarHBondContact O-N 2.82Å
280N89.6Confident94.5Very high163 Ų16356 Ų5687%0.87229%0.294SS*.THydrogen-bonded Turntrans62.216.2-176-52-46000115.2F278F278-N280 PolarHBondContact O-N 3.38Å
281Q91.3Very high94.3Very high112 Ų11256.7 Ų56.752%0.52330%0.297SS..EExtended strand (participates in β ladder)trans-111.2137.1171.2-61.6-173.1-19.300110F278 E279 K283F278-Q281 PolarHBondContact N-O 3.37Å; F278-Q281 PolarHBondContact O-N 2.93Å; F278-Q281 VanDerWaalsContact O-O 3.13Å; E279-Q281 PolarHBondContact O-N 2.82Å; Q281-K283 VanDerWaalsContact OE1-NZ 3.1Å
282E93.2Very high93.8Very high101 Ų10159.3 Ų59.347%0.47232%0.315SS..EExtended strand (participates in β ladder)trans-70134.9167.5-77.4-173.18800110R275R275-E282 WeakPolarHBondContact CD-OE1 3.5Å; R275-E282 IonicContact NH1-OE1 3.52Å; R275-E282 PolarHBondContact NH1-OE1 3.26Å; R275-E282 VanDerWaalsContact NH1-OE1 3.11Å
283K95.5Very high93Very high36 Ų3661.9 Ų61.916%0.15733%0.332CS..EExtended strand (participates in β ladder)trans-123.1135.3173.6-60.6-63179.5-169.20108.4L237 I256 R275 I276 F278 Q281L237-K283 HydrophobicContact CD1-CG 4.18Å; I256-K283 HydrophobicContact CG2-CB 3.87Å; I256-K283 HydrophobicContact CG2-CD 4.37Å; I256-K283 HydrophobicContact CG2-CG 4.31Å; R275-K283 WeakPolarHBondContact CA-O 3.4Å; I276-K283 HydrophobicContact CG1-CB 3.87Å; I276-K283 PolarHBondContact N-O 2.77Å; I276-K283 PolarHBondContact O-N 3Å; F278-K283 HydrophobicContact CB-CG 4.14Å; Q281-K283 VanDerWaalsContact OE1-NZ 3.1Å
284L96.3Very high92.3Very high7 Ų762 Ų624%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-93.6128.8-179.9-53.3-179.4000108.8I256 L257 E259 M262 E272 R275 V286I256-L284 WeakPolarHBondContact CA-O 3.38Å; L257-L284 PolarHBondContact N-O 3.32Å; L257-L284 PolarHBondContact O-N 3.41Å; E259-L284 HydrophobicContact CG-CD1 4.24Å; E259-L284 HydrophobicContact CG-CG 4.48Å; M262-L284 HydrophobicContact CB-CD1 3.96Å; M262-L284 HydrophobicContact CG-CD1 3.83Å; E272-L284 HydrophobicContact CG-CD2 4.4Å; R275-L284 HydrophobicContact CG-CD2 3.97Å; L284-V286 HydrophobicContact CB-CG2 3.89Å
285V96.8Very high91.9Very high0 Ų067.3 Ų67.30%035%0.353CS..EExtended strand (participates in β ladder)trans-92.4116.8166.6-1740000106.8I230 L233 I254 I256 V273 A274 I276I230-V285 HydrophobicContact CD1-CB 4.44Å; I230-V285 HydrophobicContact CD1-CG1 4.41Å; I230-V285 HydrophobicContact CD1-CG2 3.67Å; L233-V285 HydrophobicContact CD1-CG1 3.95Å; I254-V285 HydrophobicContact CG2-CG1 3.96Å; I256-V285 HydrophobicContact CG1-CG2 4.24Å; V273-V285 HydrophobicContact CG2-CB 4.21Å; V273-V285 HydrophobicContact CG2-CG1 3.81Å; V273-V285 VanDerWaalsContact CG2-O 3.29Å; V273-V285 WeakPolarHBondContact CG2-O 3.1Å; V273-V285 PolarHBondContact N-O 3.17Å; A274-V285 HydrophobicContact CB-CB 4.03Å; A274-V285 HydrophobicContact CB-CG2 4.17Å; A274-V285 PolarHBondContact N-O 3.26Å; A274-V285 PolarHBondContact O-N 2.91Å; I276-V285 HydrophobicContact CG2-CG2 4.32Å
286V97.4Very high91.7Very high0 Ų066.4 Ų66.40%036%0.36CS..EExtended strand (participates in β ladder)trans-120.1128.4-171.6-172.50000109.6I254 A255 L257 M262 A270 S271 L284 F288I254-V286 WeakPolarHBondContact CA-O 3.41Å; A255-V286 PolarHBondContact N-O 2.87Å; A255-V286 PolarHBondContact O-N 3.37Å; L257-V286 HydrophobicContact CB-CG2 4.48Å; L257-V286 HydrophobicContact CD1-CB 4.38Å; L257-V286 HydrophobicContact CD1-CG2 4.23Å; M262-V286 HydrophobicContact CE-CG1 3.9Å; M262-V286 HydrophobicContact CE-CG2 4.15Å; M262-V286 HydrophobicContact CG-CG2 4.07Å; M262-V286 HydrophobicContact SD-CB 4.47Å; M262-V286 HydrophobicContact SD-CG1 4Å; M262-V286 HydrophobicContact SD-CG2 3.89Å; A270-V286 HydrophobicContact CB-CG1 4.48Å; S271-V286 CarbonylContact O-C 3.54Å; S271-V286 WeakPolarHBondContact O-CA 3.43Å; L284-V286 HydrophobicContact CB-CG2 3.89Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD1 4.42Å; V286-F288 HydrophobicContact CG1-CD2 4.14Å; V286-F288 HydrophobicContact CG1-CE1 3.93Å; V286-F288 HydrophobicContact CG1-CE2 3.6Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å
287H97.4Very high91.5Very high18 Ų1869.5 Ų69.58%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-95121.2170.4-178.7-141.4000110K251 V253 I254 A270 S271 V273 S289K251-H287 PolarHBondContact O-NE2 2.87Å; V253-H287 PolarHBondContact O-CD2 2.96Å; I254-H287 HydrophobicContact CD1-CB 3.51Å; A270-H287 WeakPolarHBondContact CA-O 3.4Å; S271-H287 PolarHBondContact N-O 2.84Å; S271-H287 PolarHBondContact O-N 3.13Å; V273-H287 HydrophobicContact CG1-CB 3.71Å; V273-H287 HydrophobicContact CG2-CB 4.35Å; H287-S289 PolarHBondContact CE1-OG 3.33Å; H287-S289 PolarHBondContact ND1-OG 3.12Å
288F97.1Very high91.4Very high1 Ų166.1 Ų66.10%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-103.799.8171.6-61.9-81000108.9G252 V253 A255 L257 M262 D269 A270 V286 A323 I326 R327 V330G252-F288 CarbonylContact C-O 3.6Å; G252-F288 VanDerWaalsContact CA-O 3.25Å; G252-F288 WeakPolarHBondContact CA-O 3.18Å; V253-F288 HydrophobicContact CG2-CB 3.79Å; V253-F288 HydrophobicContact CG2-CD2 3.86Å; V253-F288 HydrophobicContact CG2-CG 4.23Å; V253-F288 PolarHBondContact N-O 3.32Å; V253-F288 PolarHBondContact O-N 2.79Å; A255-F288 HydrophobicContact CB-CE2 4.18Å; L257-F288 HydrophobicContact CD1-CE2 3.78Å; L257-F288 HydrophobicContact CD1-CZ 3.58Å; M262-F288 HydrophobicContact SD-CZ 4.13Å; D269-F288 CarbonylContact O-C 3.49Å; D269-F288 WeakPolarHBondContact O-CA 3.48Å; A270-F288 HydrophobicContact CB-CD1 3.65Å; A270-F288 HydrophobicContact CB-CE1 3.53Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD1 4.42Å; V286-F288 HydrophobicContact CG1-CD2 4.14Å; V286-F288 HydrophobicContact CG1-CE1 3.93Å; V286-F288 HydrophobicContact CG1-CE2 3.6Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å; F288-A323 HydrophobicContact CE1-CB 4.18Å; F288-A323 HydrophobicContact CZ-CB 3.93Å; F288-I326 HydrophobicContact CB-CG2 4.47Å; F288-I326 HydrophobicContact CD2-CG2 3.64Å; F288-I326 HydrophobicContact CE2-CB 4.39Å; F288-I326 HydrophobicContact CE2-CD1 4.28Å; F288-I326 HydrophobicContact CE2-CG2 3.9Å; F288-I326 HydrophobicContact CG-CG2 3.96Å; F288-I326 HydrophobicContact CZ-CG2 4.43Å; F288-R327 HydrophobicContact CD1-CG 3.36Å; F288-R327 HydrophobicContact CE1-CG 3.52Å; F288-R327 HydrophobicContact CG-CG 4.47Å; F288-V330 HydrophobicContact CB-CG2 4.36Å
289S95.8Very high91.3Very high43 Ų4368.8 Ų68.830%0.30138%0.377SS..PPolyproline II helixtrans-73125.6-175.5-71.30000111.4D269 H287 W364D269-S289 PolarHBondContact O-N 2.99Å; H287-S289 PolarHBondContact CE1-OG 3.33Å; H287-S289 PolarHBondContact ND1-OG 3.12Å; S289-W364 WeakPolarHBondContact O-CH2 3.36Å; S289-W364 VanDerWaalsContact O-CZ3 3.22Å; S289-W364 WeakPolarHBondContact O-CZ3 3.29Å
290A94.7Very high91.3Very high22 Ų2264.8 Ų64.818%0.18236%0.364CS..PPolyproline II helixtrans-66.9153.4174.500000112.5S292 V330A290-S292 PolarHBondContact O-N 3.34Å; A290-V330 HydrophobicContact CB-CG1 3.95Å
291P92Very high91.5Very high29 Ų2957.7 Ų57.719%0.18833%0.328CS..PPolyproline II helixtrans-59.7135.5172.1-20.331.4000111.7F294 W364P291-F294 HydrophobicContact CB-CD2 3.89Å; P291-F294 HydrophobicContact CB-CE2 3.39Å; P291-F294 HydrophobicContact CB-CZ 4.09Å; P291-F294 HydrophobicContact CG-CE2 3.76Å; P291-F294 HydrophobicContact CG-CZ 4.5Å; P291-W364 HydrophobicContact CB-CE3 4.38Å; P291-W364 HydrophobicContact CB-CZ3 4.22Å; P291-W364 VanDerWaalsContact CD-CZ3 3.48Å; P291-W364 HydrophobicContact CG-CD2 4.33Å; P291-W364 HydrophobicContact CG-CE3 3.69Å; P291-W364 HydrophobicContact CG-CH2 3.89Å; P291-W364 HydrophobicContact CG-CZ3 3.45Å; P291-W364 VanDerWaalsContact CG-CZ3 3.45Å
292S83.8Confident91.7Very high105 Ų10553.4 Ų53.473%0.73431%0.313SS*.  trans-100.3-9.6-177.760.60000115.1A290A290-S292 PolarHBondContact O-N 3.34Å
293N77.9Confident91.9Very high147 Ų14750.3 Ų50.379%0.78631%0.308SS*.  trans-101.526.4-166-63.7-10.8000113.7
294F82Confident92Very high53 Ų5349.2 Ų49.223%0.23230%0.303CS..SBendtrans-106144179-62.8-44.2000112.2P291 V296 S334 R338P291-F294 HydrophobicContact CB-CD2 3.89Å; P291-F294 HydrophobicContact CB-CE2 3.39Å; P291-F294 HydrophobicContact CB-CZ 4.09Å; P291-F294 HydrophobicContact CG-CE2 3.76Å; P291-F294 HydrophobicContact CG-CZ 4.5Å; F294-V296 PolarHBondContact O-N 2.96Å; F294-V296 VanDerWaalsContact O-N 3.16Å; F294-S334 WeakPolarHBondContact CE2-OG 3.1Å; F294-R338 HydrophobicContact CB-CG 4.23Å
295D86.5Confident92.2Very high138 Ų13849 Ų4974%0.73830%0.302SS*.  trans-67109.5168.3-62.3-43.3000109.3
296V90.4Very high92.2Very high94 Ų9449.2 Ų49.257%0.5730%0.304SS*.  trans-81.2118.5178.8-175.60000109.1F294 T299 I337F294-V296 PolarHBondContact O-N 2.96Å; F294-V296 VanDerWaalsContact O-N 3.16Å; V296-T299 HydrophobicContact CG1-CG2 3.74Å; V296-I337 HydrophobicContact CG1-CB 4.5Å; V296-I337 HydrophobicContact CG1-CD1 4.29Å; V296-I337 HydrophobicContact CG2-CD1 3.83Å
297V90.8Very high92.3Very high90 Ų9049.3 Ų49.355%0.54530%0.304SS..SBendtrans-102.9-49.3178.7176.30000111.1I337 R338 K340V297-I337 PolarHBondContact N-O 3.15Å; V297-R338 WeakPolarHBondContact CG2-O 3.3Å; V297-K340 HydrophobicContact CG1-CB 4.3Å
298D88.9Confident92.4Very high36 Ų3648.4 Ų48.419%0.19330%0.3CS..  trans-157.3120.9-176.1-174.4-8.4000109.4T300 I337 G341D298-T300 VanDerWaalsContact C-N 3.3Å; D298-T300 WeakPolarHBondContact OD1-CB 3.38Å; D298-T300 PolarHBondContact OD1-N 3.43Å; D298-T300 PolarHBondContact OD1-OG1 3.33Å; D298-I337 PolarHBondContact N-O 3.47Å; D298-I337 VanDerWaalsContact N-O 3.14Å; D298-I337 WeakPolarHBondContact O-CA 3.39Å; D298-G341 WeakPolarHBondContact OD2-CA 3.28Å; D298-G341 PolarHBondContact OD2-N 3.38Å
299T90.5Very high92.5Very high93 Ų9348.4 Ų48.457%0.57130%0.3SS*.  trans-86.7-2.3-177.557.10000113.5V296 G301 A302 I337V296-T299 HydrophobicContact CG1-CG2 3.74Å; T299-G301 PolarHBondContact O-N 3.49Å; T299-A302 WeakPolarHBondContact O-CB 2.92Å; T299-A302 PolarHBondContact O-N 2.97Å; T299-I337 HydrophobicContact CG2-CG2 4.35Å
300T89.8Confident92.6Very high73 Ų7346.3 Ų46.345%0.44829%0.285SS..THydrogen-bonded Turntrans-61127.1-175.2-52.10000110.9D298 A302 T342D298-T300 VanDerWaalsContact C-N 3.3Å; D298-T300 WeakPolarHBondContact OD1-CB 3.38Å; D298-T300 PolarHBondContact OD1-N 3.43Å; D298-T300 PolarHBondContact OD1-OG1 3.33Å; T300-A302 VanDerWaalsContact C-N 3.33Å; T300-A302 PolarHBondContact O-N 3.04Å; T300-T342 VanDerWaalsContact CG2-OG1 3.31Å; T300-T342 WeakPolarHBondContact CG2-OG1 3.42Å
301G93.4Very high92.8Very high13 Ų1345.3 Ų45.313%0.13428%0.277CS..THydrogen-bonded Turntrans79.15.8178.600000115.6T299 G303 D304 C305 Y346T299-G301 PolarHBondContact O-N 3.49Å; G301-G303 VanDerWaalsContact C-N 3.33Å; G301-G303 PolarHBondContact O-N 3.46Å; G301-D304 PolarHBondContact O-N 2.48Å; G301-C305 WeakPolarHBondContact O-CB 3.42Å; G301-C305 PolarHBondContact O-N 2.82Å; G301-Y346 PolarHBondContact O-OH 3.33Å
302A96.2Very high93.1Very high23 Ų2344.2 Ų44.219%0.1927%0.269CS..Hα-helixtrans-60.9-40.5176.600000112.5T299 T300 C305 F306 I337T299-A302 WeakPolarHBondContact O-CB 2.92Å; T299-A302 PolarHBondContact O-N 2.97Å; T300-A302 VanDerWaalsContact C-N 3.33Å; T300-A302 PolarHBondContact O-N 3.04Å; A302-C305 WeakPolarHBondContact O-CB 3.44Å; A302-C305 PolarHBondContact O-N 2.98Å; A302-F306 PolarHBondContact O-N 3.3Å; A302-I337 HydrophobicContact CB-CG2 3.76Å
303G97.3Very high93.8Very high36 Ų3639.2 Ų39.237%0.37123%0.234SC..Hα-helixtrans-63.9-42.7174.300000112.6G301 C305 F306 V307G301-G303 VanDerWaalsContact C-N 3.33Å; G301-G303 PolarHBondContact O-N 3.46Å; G303-C305 VanDerWaalsContact C-N 3.3Å; G303-C305 PolarHBondContact O-N 2.88Å; G303-F306 WeakPolarHBondContact O-CB 3.34Å; G303-F306 PolarHBondContact O-N 3.25Å; G303-V307 WeakPolarHBondContact O-CG2 3.35Å; G303-V307 PolarHBondContact O-N 3.06Å
304D98.3Very high94.7Very high12 Ų1232.9 Ų32.96%0.06420%0.2CC..Hα-helixtrans-64.9-36.8174.7-67.6-30.1000111.6N45 Q46 G301 V307 G308 Y346N45-D304 HydrophobicContact CB-CB 3.57Å; N45-D304 PolarHBondContact ND2-OD2 3Å; Q46-D304 HydrophobicContact CG-CB 3.85Å; Q46-D304 WeakPolarHBondContact CG-O 3.41Å; Q46-D304 PolarHBondContact NE2-OD1 3.14Å; G301-D304 PolarHBondContact O-N 2.48Å; D304-V307 PolarHBondContact O-N 3.33Å; D304-G308 PolarHBondContact O-N 3.18Å; D304-Y346 WeakPolarHBondContact CB-OH 3.47Å
305C98.5Very high95.5Very high2 Ų230.3 Ų30.31%0.01419%0.189CC..Hα-helixtrans-63-43.5174.2-1630000111.2G301 A302 G303 S309 A333 Y346G301-C305 WeakPolarHBondContact O-CB 3.42Å; G301-C305 PolarHBondContact O-N 2.82Å; A302-C305 WeakPolarHBondContact O-CB 3.44Å; A302-C305 PolarHBondContact O-N 2.98Å; G303-C305 VanDerWaalsContact C-N 3.3Å; G303-C305 PolarHBondContact O-N 2.88Å; C305-S309 VanDerWaalsContact O-CB 3.24Å; C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.16Å; C305-S309 PolarHBondContact O-OG 3.38Å; C305-A333 HydrophobicContact CB-CB 4.36Å; C305-Y346 HydrophobicContact CB-CD1 3.97Å; C305-Y346 HydrophobicContact CB-CE1 3.5Å
306F98.7Very high95.9Very high6 Ų625.7 Ų25.73%0.02617%0.167CC..Hα-helixtrans-59.4-52.1175.4173.1-97.4000111.3I245 T247 V253 A302 G303 G308 S309 L310 I326 V330 A333I245-F306 HydrophobicContact CG2-CE1 3.95Å; I245-F306 HydrophobicContact CG2-CZ 3.82Å; T247-F306 HydrophobicContact CG2-CD1 3.74Å; T247-F306 HydrophobicContact CG2-CE1 3.96Å; T247-F306 HydrophobicContact CG2-CG 4.45Å; V253-F306 HydrophobicContact CG1-CD2 4.34Å; V253-F306 HydrophobicContact CG1-CE1 4.33Å; V253-F306 HydrophobicContact CG1-CE2 3.87Å; V253-F306 HydrophobicContact CG1-CZ 3.88Å; V253-F306 HydrophobicContact CG2-CZ 4.4Å; A302-F306 PolarHBondContact O-N 3.3Å; G303-F306 WeakPolarHBondContact O-CB 3.34Å; G303-F306 PolarHBondContact O-N 3.25Å; F306-G308 PolarHBondContact O-N 3.24Å; F306-S309 PolarHBondContact O-N 3Å; F306-L310 HydrophobicContact CE1-CD2 4.38Å; F306-L310 WeakPolarHBondContact O-CB 3.43Å; F306-L310 PolarHBondContact O-N 3.11Å; F306-I326 HydrophobicContact CE2-CG2 4.4Å; F306-I326 HydrophobicContact CZ-CG2 4.37Å; F306-V330 HydrophobicContact CD2-CG2 4.16Å; F306-V330 HydrophobicContact CE2-CG2 3.75Å; F306-A333 HydrophobicContact CB-CB 3.86Å
307V98.8Very high96.2Very high1 Ų122 Ų221%0.00614%0.143CC..Hα-helixtrans-64.4-42-177.6175.80000111.5Q46 V140 I165 N167 C198 G303 D304 L310 A311Q46-V307 HydrophobicContact CG-CB 4.04Å; Q46-V307 HydrophobicContact CG-CG1 4.12Å; Q46-V307 VanDerWaalsContact OE1-CG1 3.29Å; V140-V307 HydrophobicContact CG1-CG1 3.8Å; I165-V307 HydrophobicContact CG2-CG1 4.01Å; N167-V307 HydrophobicContact CB-CG1 4.31Å; N167-V307 HydrophobicContact CB-CG2 4.13Å; C198-V307 HydrophobicContact CB-CG2 3.82Å; G303-V307 WeakPolarHBondContact O-CG2 3.35Å; G303-V307 PolarHBondContact O-N 3.06Å; D304-V307 PolarHBondContact O-N 3.33Å; V307-L310 PolarHBondContact O-N 2.67Å; V307-A311 WeakPolarHBondContact O-CB 3.28Å; V307-A311 PolarHBondContact O-N 3.36Å
308G98.7Very high96.3Very high0 Ų024.2 Ų24.20%015%0.148CC..Hα-helixtrans-65.3-38.4174.600000113.1Q46 S50 D304 F306 A311 Y312Q46-G308 VanDerWaalsContact O-CA 3.32Å; Q46-G308 WeakPolarHBondContact O-CA 3.48Å; S50-G308 PolarHBondContact OG-O 3.46Å; D304-G308 PolarHBondContact O-N 3.18Å; F306-G308 PolarHBondContact O-N 3.24Å; G308-A311 PolarHBondContact O-N 3.27Å; G308-Y312 PolarHBondContact O-N 2.68Å
309S98.7Very high96.5Very high0 Ų027.1 Ų27.10%016%0.163CC..Hα-helixtrans-65.3-42.4174.8-58.80000111.5C305 F306 A311 Y312 F313 V332C305-S309 VanDerWaalsContact O-CB 3.24Å; C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.16Å; C305-S309 PolarHBondContact O-OG 3.38Å; F306-S309 PolarHBondContact O-N 3Å; S309-A311 PolarHBondContact O-N 3.04Å; S309-Y312 WeakPolarHBondContact O-CB 3.37Å; S309-Y312 PolarHBondContact O-N 3.37Å; S309-F313 WeakPolarHBondContact O-CD2 3.24Å; S309-F313 PolarHBondContact O-N 3.47Å; S309-V332 WeakPolarHBondContact OG-CG1 3.34Å
310L98.8Very high96.7Very high0 Ų023.4 Ų23.40%014%0.14CC..Hα-helixtrans-60.9-46.1176.2-178.766.1000110.7I165 I245 F306 V307 Y312 F313 V314 I326 S329I165-L310 HydrophobicContact CD1-CD2 4.44Å; I165-L310 HydrophobicContact CD1-CG 4.34Å; I245-L310 HydrophobicContact CD1-CD2 3.61Å; F306-L310 HydrophobicContact CE1-CD2 4.38Å; F306-L310 WeakPolarHBondContact O-CB 3.43Å; F306-L310 PolarHBondContact O-N 3.11Å; V307-L310 PolarHBondContact O-N 2.67Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-Y312 PolarHBondContact O-N 2.91Å; L310-F313 PolarHBondContact O-N 3.01Å; L310-V314 HydrophobicContact CD1-CG2 4.02Å; L310-V314 HydrophobicContact CG-CG2 4.21Å; L310-V314 WeakPolarHBondContact O-CB 3.38Å; L310-V314 VanDerWaalsContact O-CG2 3.23Å; L310-V314 WeakPolarHBondContact O-CG2 3.47Å; L310-V314 PolarHBondContact O-N 2.89Å; L310-I326 HydrophobicContact CD1-CG1 4.02Å; L310-S329 WeakPolarHBondContact CA-OG 3.27Å; L310-S329 PolarHBondContact N-OG 2.66Å; L310-S329 VanDerWaalsContact N-OG 3.1Å
311A98.8Very high97Very high0 Ų021.7 Ų21.70%013%0.13CC..Hα-helixtrans-58.1-42175.600000112.2V6 V138 V140 I165 V307 G308 S309 A315V6-A311 HydrophobicContact CG1-CB 3.95Å; V6-A311 HydrophobicContact CG2-CB 4.14Å; V6-A311 WeakPolarHBondContact CG2-O 3.42Å; V138-A311 HydrophobicContact CG1-CB 4Å; V140-A311 HydrophobicContact CG2-CB 3.57Å; I165-A311 HydrophobicContact CD1-CB 3.9Å; V307-A311 WeakPolarHBondContact O-CB 3.28Å; V307-A311 PolarHBondContact O-N 3.36Å; G308-A311 PolarHBondContact O-N 3.27Å; S309-A311 PolarHBondContact O-N 3.04Å; A311-A315 WeakPolarHBondContact O-CB 3.34Å; A311-A315 PolarHBondContact O-N 2.96Å
312Y98.4Very high97.2Very high7 Ų722 Ų223%0.02713%0.128CC..Hα-helixtrans-61.9-49.9174.4161.8-103000112.5L53 C55 G308 S309 L310 A315 C316 H317 R349 F357L53-Y312 HydrophobicContact CB-CD1 3.82Å; L53-Y312 HydrophobicContact CB-CD2 4.06Å; L53-Y312 HydrophobicContact CB-CE1 3.9Å; L53-Y312 HydrophobicContact CB-CE2 4.12Å; L53-Y312 HydrophobicContact CB-CG 3.87Å; L53-Y312 HydrophobicContact CD1-CD1 3.51Å; L53-Y312 HydrophobicContact CD1-CE1 4.14Å; L53-Y312 HydrophobicContact CD1-CG 3.91Å; L53-Y312 HydrophobicContact CG-CD1 4.3Å; L53-Y312 PolarHBondContact O-OH 2.8Å; C55-Y312 HydrophobicContact CB-CD2 3.7Å; C55-Y312 HydrophobicContact CB-CE2 4.45Å; G308-Y312 PolarHBondContact O-N 2.68Å; S309-Y312 WeakPolarHBondContact O-CB 3.37Å; S309-Y312 PolarHBondContact O-N 3.37Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-Y312 PolarHBondContact O-N 2.91Å; Y312-A315 PolarHBondContact O-N 2.78Å; Y312-C316 HydrophobicContact CD2-CB 4.02Å; Y312-C316 HydrophobicContact CE2-CB 3.82Å; Y312-C316 VanDerWaalsContact O-CB 3.28Å; Y312-C316 WeakPolarHBondContact O-CB 3.18Å; Y312-C316 PolarHBondContact O-N 2.7Å; Y312-H317 AromaticContact CE1-CD2 3.84Å; Y312-H317 AromaticContact CE1-NE2 3.68Å; Y312-H317 AromaticContact CZ-CD2 3.84Å; Y312-H317 AromaticContact CZ-NE2 3.39Å; Y312-H317 PolarHBondContact OH-NE2 3.32Å; Y312-R349 PolarHBondContact OH-NH1 2.81Å; Y312-F357 AromaticContact CE1-CD1 3.86Å; Y312-F357 HydrophobicContact CE1-CD1 3.86Å; Y312-F357 AromaticContact CE1-CE1 3.75Å; Y312-F357 HydrophobicContact CE1-CE1 3.75Å; Y312-F357 VanDerWaalsContact OH-CD1 3.3Å; Y312-F357 WeakPolarHBondContact OH-CD1 3.28Å
313F98.2Very high97.3Very high0 Ų020.9 Ų20.90%012%0.119CC..Hα-helixtrans-66.2-42.9-178.2-77.6-67000111.9S309 L310 A315 C316 H317 I320 Q325 R328 S329 V332 L356 F357S309-F313 WeakPolarHBondContact O-CD2 3.24Å; S309-F313 PolarHBondContact O-N 3.47Å; L310-F313 PolarHBondContact O-N 3.01Å; F313-A315 VanDerWaalsContact C-N 3.27Å; F313-A315 PolarHBondContact O-N 3.35Å; F313-C316 PolarHBondContact O-N 2.8Å; F313-H317 HydrophobicContact CD1-CB 4.17Å; F313-H317 AromaticContact CD1-CD2 3.61Å; F313-H317 AromaticContact CD1-CG 3.87Å; F313-H317 CarbonylContact O-C 3.5Å; F313-H317 WeakPolarHBondContact O-CA 3.33Å; F313-H317 WeakPolarHBondContact O-CB 3.27Å; F313-H317 PolarHBondContact O-N 3.1Å; F313-I320 HydrophobicContact CD1-CD1 4.29Å; F313-Q325 HydrophobicContact CB-CB 3.75Å; F313-Q325 HydrophobicContact CB-CG 3.91Å; F313-R328 HydrophobicContact CD1-CB 4.48Å; F313-R328 HydrophobicContact CD2-CB 4.08Å; F313-R328 HydrophobicContact CE1-CB 3.97Å; F313-R328 HydrophobicContact CE1-CG 4.45Å; F313-R328 HydrophobicContact CE2-CB 3.51Å; F313-R328 HydrophobicContact CZ-CB 3.46Å; F313-R328 VanDerWaalsContact CZ-CB 3.46Å; F313-R328 HydrophobicContact CZ-CG 4.3Å; F313-S329 WeakPolarHBondContact CD2-OG 3.47Å; F313-V332 HydrophobicContact CE2-CG2 4.41Å; F313-L356 HydrophobicContact CZ-CD1 4.49Å; F313-L356 HydrophobicContact CZ-CG 4.22Å; F313-F357 HydrophobicContact CE1-CD1 4.15Å; F313-F357 HydrophobicContact CZ-CD1 4.26Å; F313-F357 HydrophobicContact CZ-CE1 4.22Å
314V97.9Very high97.2Very high13 Ų1319.4 Ų19.48%0.07910%0.102CC..Hα-helixtrans-60.7-36.9175.2173.30000111.5V138 K163 F196 L310V138-V314 HydrophobicContact CG2-CB 4.07Å; V138-V314 HydrophobicContact CG2-CG1 3.67Å; K163-V314 HydrophobicContact CB-CG1 4.11Å; K163-V314 HydrophobicContact CG-CG1 3.97Å; F196-V314 HydrophobicContact CE2-CG1 4.14Å; F196-V314 HydrophobicContact CE2-CG2 4.32Å; F196-V314 HydrophobicContact CZ-CG1 4.4Å; F196-V314 HydrophobicContact CZ-CG2 4.08Å; L310-V314 HydrophobicContact CD1-CG2 4.02Å; L310-V314 HydrophobicContact CG-CG2 4.21Å; L310-V314 WeakPolarHBondContact O-CB 3.38Å; L310-V314 VanDerWaalsContact O-CG2 3.23Å; L310-V314 WeakPolarHBondContact O-CG2 3.47Å; L310-V314 PolarHBondContact O-N 2.89Å
315A97.7Very high97.2Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-80.6-39.2-179.700000113.6H5 V6 K137 V138 A311 Y312 F313H5-A315 HydrophobicContact CB-CB 4.12Å; H5-A315 WeakPolarHBondContact O-CB 3.46Å; V6-A315 HydrophobicContact CG2-CB 3.72Å; K137-A315 HydrophobicContact CB-CB 4.06Å; K137-A315 HydrophobicContact CD-CB 4.45Å; K137-A315 WeakPolarHBondContact CD-O 3.42Å; K137-A315 PolarHBondContact NZ-O 2.88Å; V138-A315 HydrophobicContact CB-CB 4.37Å; V138-A315 HydrophobicContact CG2-CB 3.69Å; A311-A315 WeakPolarHBondContact O-CB 3.34Å; A311-A315 PolarHBondContact O-N 2.96Å; Y312-A315 PolarHBondContact O-N 2.78Å; F313-A315 VanDerWaalsContact C-N 3.27Å; F313-A315 PolarHBondContact O-N 3.35Å
316C96.2Very high97.2Very high40 Ų4019.4 Ų19.427%0.2710%0.102SC..Hα-helixtrans-107.8-15.1-165.5-610000114.1C55 Y312 F313C55-C316 VanDerWaalsContact SG-SG 3.64Å; Y312-C316 HydrophobicContact CD2-CB 4.02Å; Y312-C316 HydrophobicContact CE2-CB 3.82Å; Y312-C316 VanDerWaalsContact O-CB 3.28Å; Y312-C316 WeakPolarHBondContact O-CB 3.18Å; Y312-C316 PolarHBondContact O-N 2.7Å; F313-C316 PolarHBondContact O-N 2.8Å
317H95.6Very high97.1Very high16 Ų1619.2 Ų19.27%0.07410%0.101CC..  trans-129.763.1-174.3-64.9-94.1000110.6Y312 F313 D319 I320 Q325 F357Y312-H317 AromaticContact CE1-CD2 3.84Å; Y312-H317 AromaticContact CE1-NE2 3.68Å; Y312-H317 AromaticContact CZ-CD2 3.84Å; Y312-H317 AromaticContact CZ-NE2 3.39Å; Y312-H317 PolarHBondContact OH-NE2 3.32Å; F313-H317 HydrophobicContact CD1-CB 4.17Å; F313-H317 AromaticContact CD1-CD2 3.61Å; F313-H317 AromaticContact CD1-CG 3.87Å; F313-H317 CarbonylContact O-C 3.5Å; F313-H317 WeakPolarHBondContact O-CA 3.33Å; F313-H317 WeakPolarHBondContact O-CB 3.27Å; F313-H317 PolarHBondContact O-N 3.1Å; H317-D319 WeakPolarHBondContact CA-OD1 3.47Å; H317-D319 PolarHBondContact O-N 2.84Å; H317-I320 HydrophobicContact CB-CD1 3.75Å; H317-I320 HydrophobicContact CB-CG1 3.82Å; H317-I320 VanDerWaalsContact O-CG1 3.28Å; H317-I320 WeakPolarHBondContact O-CG1 3.48Å; H317-Q325 PolarHBondContact O-NE2 3.5Å; H317-F357 PolarHBondContact CE1-O 3.45Å; H317-F357 VanDerWaalsContact CE1-O 3.31Å
318E92.4Very high97Very high138 Ų13819.1 Ų19.165%0.64510%0.1SC*.THydrogen-bonded Turntrans-73.3-10.3176.6-65.2178.1-107.900112.8K137K137-E318 IonicContact NZ-OE1 3.22Å; K137-E318 PolarHBondContact NZ-OE1 2.71Å
319D94Very high97Very high96 Ų9619.1 Ų19.151%0.51310%0.1SC..THydrogen-bonded Turntrans-81.9-14.9179.559-58.4000113.9H317 S359H317-D319 WeakPolarHBondContact CA-OD1 3.47Å; H317-D319 PolarHBondContact O-N 2.84Å; D319-S359 VanDerWaalsContact OD2-CB 3.28Å; D319-S359 WeakPolarHBondContact OD2-CB 3.48Å; D319-S359 PolarHBondContact OD2-OG 2.92Å
320I95.2Very high97Very high16 Ų1619.5 Ų19.58%0.08210%0.103CC..SBendtrans-107.7158.3175.763.2174.1000110.9F313 H317 E324 Q325F313-I320 HydrophobicContact CD1-CD1 4.29Å; H317-I320 HydrophobicContact CB-CD1 3.75Å; H317-I320 HydrophobicContact CB-CG1 3.82Å; H317-I320 VanDerWaalsContact O-CG1 3.28Å; H317-I320 WeakPolarHBondContact O-CG1 3.48Å; I320-E324 HydrophobicContact CB-CB 4.18Å; I320-E324 HydrophobicContact CB-CG 4.15Å; I320-E324 HydrophobicContact CD1-CB 4.24Å; I320-E324 HydrophobicContact CD1-CG 3.93Å; I320-E324 HydrophobicContact CG1-CB 4.46Å; I320-E324 HydrophobicContact CG1-CG 4.49Å; I320-Q325 HydrophobicContact CD1-CG 3.86Å; I320-Q325 HydrophobicContact CG1-CG 3.83Å
321T96.4Very high96.9Very high37 Ų3720.2 Ų20.223%0.22711%0.105CC..  trans-71.5157.5-179.3670000112.2D261 A263 A323 E324 Q325D261-T321 VanDerWaalsContact O-CB 3.22Å; D261-T321 WeakPolarHBondContact O-CB 3.2Å; D261-T321 PolarHBondContact O-OG1 2.83Å; A263-T321 HydrophobicContact CB-CG2 4.46Å; T321-A323 VanDerWaalsContact C-N 3.26Å; T321-A323 PolarHBondContact O-N 3.07Å; T321-E324 WeakPolarHBondContact O-CA 3.4Å; T321-E324 WeakPolarHBondContact O-CB 3.22Å; T321-E324 PolarHBondContact O-N 2.92Å; T321-E324 PolarHBondContact OG1-N 2.77Å; T321-Q325 WeakPolarHBondContact O-CG 3.49Å; T321-Q325 PolarHBondContact O-N 2.83Å
322L97Very high96.8Very high19 Ų1920.5 Ų20.510%0.09911%0.107CC..Hα-helixtrans-60.6-35.7177.7175.658.8000112.4F196 C243 L257 D261 E324 Q325 I326F196-L322 HydrophobicContact CE1-CD1 3.56Å; F196-L322 HydrophobicContact CE1-CD2 3.76Å; F196-L322 HydrophobicContact CE1-CG 4.32Å; F196-L322 HydrophobicContact CZ-CD1 4.06Å; F196-L322 HydrophobicContact CZ-CD2 4.42Å; C243-L322 HydrophobicContact CB-CD2 4.04Å; L257-L322 HydrophobicContact CD2-CB 4.43Å; L257-L322 HydrophobicContact CD2-CD2 3.5Å; L257-L322 HydrophobicContact CD2-CG 3.76Å; D261-L322 HydrophobicContact CB-CB 4.1Å; L322-E324 PolarHBondContact O-N 2.99Å; L322-Q325 HydrophobicContact CD1-CB 4.43Å; L322-Q325 WeakPolarHBondContact O-CB 3.31Å; L322-Q325 PolarHBondContact O-N 2.93Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 4.22Å; L322-I326 HydrophobicContact CG-CD1 4.1Å; L322-I326 WeakPolarHBondContact O-CG1 3.37Å; L322-I326 PolarHBondContact O-N 3.26Å
323A97.3Very high96.7Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-57.4-41.7172.300000111.7L257 D261 M262 I265 F288 T321 I326 R327L257-A323 HydrophobicContact CD1-CB 3.97Å; D261-A323 WeakPolarHBondContact O-CB 3.44Å; D261-A323 PolarHBondContact O-N 3.16Å; M262-A323 HydrophobicContact CG-CB 4.49Å; M262-A323 HydrophobicContact SD-CB 3.42Å; M262-A323 WeakPolarHBondContact SD-CB 3.42Å; I265-A323 HydrophobicContact CD1-CB 4.03Å; I265-A323 HydrophobicContact CG1-CB 3.71Å; F288-A323 HydrophobicContact CE1-CB 4.18Å; F288-A323 HydrophobicContact CZ-CB 3.93Å; T321-A323 VanDerWaalsContact C-N 3.26Å; T321-A323 PolarHBondContact O-N 3.07Å; A323-I326 PolarHBondContact O-N 3.18Å; A323-R327 VanDerWaalsContact O-CG 3.26Å; A323-R327 WeakPolarHBondContact O-CG 3.25Å; A323-R327 PolarHBondContact O-N 3.25Å
324E96.8Very high96.6Very high4 Ų421.1 Ų21.12%0.01911%0.113CC..Hα-helixtrans-68.7-39.3177.9-169.460.6-171.500112.4I265 I320 T321 L322 I326 R327 R328 F362I265-E324 HydrophobicContact CD1-CB 4.28Å; I320-E324 HydrophobicContact CB-CB 4.18Å; I320-E324 HydrophobicContact CB-CG 4.15Å; I320-E324 HydrophobicContact CD1-CB 4.24Å; I320-E324 HydrophobicContact CD1-CG 3.93Å; I320-E324 HydrophobicContact CG1-CB 4.46Å; I320-E324 HydrophobicContact CG1-CG 4.49Å; T321-E324 WeakPolarHBondContact O-CA 3.4Å; T321-E324 WeakPolarHBondContact O-CB 3.22Å; T321-E324 PolarHBondContact O-N 2.92Å; T321-E324 PolarHBondContact OG1-N 2.77Å; L322-E324 PolarHBondContact O-N 2.99Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.34Å; E324-R327 PolarHBondContact O-N 3.18Å; E324-R327 IonicContact OE1-NH1 3.31Å; E324-R327 IonicContact OE2-CZ 3.36Å; E324-R327 IonicContact OE2-NH1 2.77Å; E324-R327 PolarHBondContact OE2-NH1 3.31Å; E324-R328 HydrophobicContact CG-CG 4.46Å; E324-R328 WeakPolarHBondContact O-CB 3.31Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.83Å; E324-R328 IonicContact OE1-CZ 3.3Å; E324-R328 IonicContact OE1-NE 2.65Å; E324-R328 PolarHBondContact OE1-NE 2.86Å; E324-R328 IonicContact OE1-NH2 3.56Å; E324-R328 PolarHBondContact OE1-NH2 3.32Å; E324-F362 WeakPolarHBondContact OE1-CB 3.27Å; E324-F362 PolarHBondContact OE1-N 2.96Å
325Q97.6Very high96.5Very high15 Ų1520.8 Ų20.87%0.0711%0.111CC..Hα-helixtrans-59-41.6172.8-60.8172.5-10.600111.2F313 H317 I320 T321 L322 S329F313-Q325 HydrophobicContact CB-CB 3.75Å; F313-Q325 HydrophobicContact CB-CG 3.91Å; H317-Q325 PolarHBondContact O-NE2 3.5Å; I320-Q325 HydrophobicContact CD1-CG 3.86Å; I320-Q325 HydrophobicContact CG1-CG 3.83Å; T321-Q325 WeakPolarHBondContact O-CG 3.49Å; T321-Q325 PolarHBondContact O-N 2.83Å; L322-Q325 HydrophobicContact CD1-CB 4.43Å; L322-Q325 WeakPolarHBondContact O-CB 3.31Å; L322-Q325 PolarHBondContact O-N 2.93Å; Q325-S329 WeakPolarHBondContact O-CB 3.35Å; Q325-S329 PolarHBondContact O-N 3.08Å; Q325-S329 VanDerWaalsContact O-N 3.11Å; Q325-S329 PolarHBondContact O-OG 3.48Å
326I98.1Very high96.4Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-67.5-50.5176.7-67.1167.9000110.9I245 V253 A255 L257 F288 F306 L310 L322 A323 E324 R328 S329 V330I245-I326 HydrophobicContact CD1-CD1 3.86Å; I245-I326 HydrophobicContact CD1-CG1 4.08Å; I245-I326 HydrophobicContact CG1-CD1 4.31Å; V253-I326 HydrophobicContact CG2-CG2 3.53Å; A255-I326 HydrophobicContact CB-CD1 4.11Å; L257-I326 HydrophobicContact CD1-CD1 4.36Å; L257-I326 HydrophobicContact CD2-CD1 3.97Å; F288-I326 HydrophobicContact CB-CG2 4.47Å; F288-I326 HydrophobicContact CD2-CG2 3.64Å; F288-I326 HydrophobicContact CE2-CB 4.39Å; F288-I326 HydrophobicContact CE2-CD1 4.28Å; F288-I326 HydrophobicContact CE2-CG2 3.9Å; F288-I326 HydrophobicContact CG-CG2 3.96Å; F288-I326 HydrophobicContact CZ-CG2 4.43Å; F306-I326 HydrophobicContact CE2-CG2 4.4Å; F306-I326 HydrophobicContact CZ-CG2 4.37Å; L310-I326 HydrophobicContact CD1-CG1 4.02Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 4.22Å; L322-I326 HydrophobicContact CG-CD1 4.1Å; L322-I326 WeakPolarHBondContact O-CG1 3.37Å; L322-I326 PolarHBondContact O-N 3.26Å; A323-I326 PolarHBondContact O-N 3.18Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.34Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 3.06Å; I326-S329 WeakPolarHBondContact O-CA 3.47Å; I326-S329 WeakPolarHBondContact O-CB 3.33Å; I326-S329 PolarHBondContact O-N 2.63Å; I326-V330 HydrophobicContact CG2-CG2 4.42Å; I326-V330 WeakPolarHBondContact O-CG2 3.05Å; I326-V330 PolarHBondContact O-N 3.32Å
327R97.1Very high96.4Very high1 Ų120.3 Ų20.30%0.00411%0.105CC..Hα-helixtrans-54.4-46.5179.4-74.2176.569.5-127.5-12.8112.4D269 F288 A323 E324 S329 V330 W331 F362D269-R327 VanDerWaalsContact CG-NE 3.35Å; D269-R327 IonicContact OD1-CZ 2.72Å; D269-R327 IonicContact OD1-NE 3.21Å; D269-R327 PolarHBondContact OD1-NE 3.4Å; D269-R327 IonicContact OD1-NH2 3.46Å; D269-R327 PolarHBondContact OD1-NH2 3.16Å; D269-R327 WeakPolarHBondContact OD2-CG 3.19Å; D269-R327 IonicContact OD2-CZ 3.48Å; D269-R327 IonicContact OD2-NE 3.7Å; D269-R327 PolarHBondContact OD2-NE 3.31Å; D269-R327 IonicContact OD2-NH2 3.62Å; D269-R327 PolarHBondContact OD2-NH2 3.14Å; F288-R327 HydrophobicContact CD1-CG 3.36Å; F288-R327 HydrophobicContact CE1-CG 3.52Å; F288-R327 HydrophobicContact CG-CG 4.47Å; A323-R327 VanDerWaalsContact O-CG 3.26Å; A323-R327 WeakPolarHBondContact O-CG 3.25Å; A323-R327 PolarHBondContact O-N 3.25Å; E324-R327 PolarHBondContact O-N 3.18Å; E324-R327 IonicContact OE1-NH1 3.31Å; E324-R327 IonicContact OE2-CZ 3.36Å; E324-R327 IonicContact OE2-NH1 2.77Å; E324-R327 PolarHBondContact OE2-NH1 3.31Å; R327-S329 VanDerWaalsContact C-N 3.33Å; R327-S329 PolarHBondContact O-N 3.36Å; R327-V330 PolarHBondContact O-N 3.13Å; R327-W331 PolarHBondContact O-N 3.25Å; R327-F362 PolarHBondContact NH1-O 3.16Å; R327-F362 PolarHBondContact NH2-O 2.92Å
328R97.3Very high96.3Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-66.6-36.5178.4-65.9173.9178.3-163.214111.6F313 E324 I326 W331 V332 L356 A358 E360 F362F313-R328 HydrophobicContact CD1-CB 4.48Å; F313-R328 HydrophobicContact CD2-CB 4.08Å; F313-R328 HydrophobicContact CE1-CB 3.97Å; F313-R328 HydrophobicContact CE1-CG 4.45Å; F313-R328 HydrophobicContact CE2-CB 3.51Å; F313-R328 HydrophobicContact CZ-CB 3.46Å; F313-R328 VanDerWaalsContact CZ-CB 3.46Å; F313-R328 HydrophobicContact CZ-CG 4.3Å; E324-R328 HydrophobicContact CG-CG 4.46Å; E324-R328 WeakPolarHBondContact O-CB 3.31Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.83Å; E324-R328 IonicContact OE1-CZ 3.3Å; E324-R328 IonicContact OE1-NE 2.65Å; E324-R328 PolarHBondContact OE1-NE 2.86Å; E324-R328 IonicContact OE1-NH2 3.56Å; E324-R328 PolarHBondContact OE1-NH2 3.32Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 3.06Å; R328-W331 PolarHBondContact O-N 2.93Å; R328-V332 WeakPolarHBondContact O-CG2 3.44Å; R328-V332 PolarHBondContact O-N 3.25Å; R328-L356 HydrophobicContact CB-CD1 3.79Å; R328-L356 VanDerWaalsContact CD-O 3.25Å; R328-L356 WeakPolarHBondContact CD-O 3.37Å; R328-L356 HydrophobicContact CG-CD1 3.84Å; R328-L356 PolarHBondContact NE-O 2.56Å; R328-L356 PolarHBondContact NH1-O 3.19Å; R328-A358 VanDerWaalsContact CZ-O 3.23Å; R328-A358 PolarHBondContact NH1-O 2.76Å; R328-A358 PolarHBondContact NH2-O 3.14Å; R328-E360 PolarHBondContact NH2-O 2.71Å; R328-F362 HydrophobicContact CG-CB 4.17Å; R328-F362 HydrophobicContact CG-CD1 4.21Å; R328-F362 HydrophobicContact CG-CG 4.48Å
329S98.2Very high96.4Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-65.7-41.2174.6-57.50000112.5L310 F313 Q325 I326 R327 W331 V332 A333L310-S329 WeakPolarHBondContact CA-OG 3.27Å; L310-S329 PolarHBondContact N-OG 2.66Å; L310-S329 VanDerWaalsContact N-OG 3.1Å; F313-S329 WeakPolarHBondContact CD2-OG 3.47Å; Q325-S329 WeakPolarHBondContact O-CB 3.35Å; Q325-S329 PolarHBondContact O-N 3.08Å; Q325-S329 VanDerWaalsContact O-N 3.11Å; Q325-S329 PolarHBondContact O-OG 3.48Å; I326-S329 WeakPolarHBondContact O-CA 3.47Å; I326-S329 WeakPolarHBondContact O-CB 3.33Å; I326-S329 PolarHBondContact O-N 2.63Å; R327-S329 VanDerWaalsContact C-N 3.33Å; R327-S329 PolarHBondContact O-N 3.36Å; S329-W331 VanDerWaalsContact C-N 3.31Å; S329-W331 PolarHBondContact O-N 3.21Å; S329-V332 PolarHBondContact O-N 3.14Å; S329-A333 WeakPolarHBondContact O-CB 3.4Å; S329-A333 PolarHBondContact O-N 2.98Å
330V97.6Very high96.1Very high8 Ų824.3 Ų24.35%0.04811%0.113CC..Hα-helixtrans-59.3-45.3172.4173.60000110.3V253 F288 A290 F306 I326 R327 A333 S334 W364V253-V330 HydrophobicContact CG1-CG2 3.95Å; V253-V330 HydrophobicContact CG2-CG2 3.89Å; F288-V330 HydrophobicContact CB-CG2 4.36Å; A290-V330 HydrophobicContact CB-CG1 3.95Å; F306-V330 HydrophobicContact CD2-CG2 4.16Å; F306-V330 HydrophobicContact CE2-CG2 3.75Å; I326-V330 HydrophobicContact CG2-CG2 4.42Å; I326-V330 WeakPolarHBondContact O-CG2 3.05Å; I326-V330 PolarHBondContact O-N 3.32Å; R327-V330 PolarHBondContact O-N 3.13Å; V330-A333 PolarHBondContact O-N 2.92Å; V330-S334 PolarHBondContact O-N 2.83Å; V330-W364 HydrophobicContact CG1-CH2 4.23Å; V330-W364 HydrophobicContact CG1-CZ2 4.46Å
331W96.5Very high95.8Very high15 Ų1524.4 Ų24.46%0.05712%0.118CC..Hα-helixtrans-64.7-44.7180-166.487.8000112.3R327 R328 S329 A333 S334 Q335 L352 P353 L356 F362 W364 P365R327-W331 PolarHBondContact O-N 3.25Å; R328-W331 PolarHBondContact O-N 2.93Å; S329-W331 VanDerWaalsContact C-N 3.31Å; S329-W331 PolarHBondContact O-N 3.21Å; W331-A333 PolarHBondContact O-N 2.79Å; W331-S334 WeakPolarHBondContact O-CB 3.23Å; W331-S334 PolarHBondContact O-N 3.2Å; W331-S334 PolarHBondContact O-OG 3.05Å; W331-Q335 HydrophobicContact CD2-CG 4.43Å; W331-Q335 HydrophobicContact CE3-CG 4.04Å; W331-Q335 HydrophobicContact CH2-CG 3.92Å; W331-Q335 HydrophobicContact CZ2-CG 4.32Å; W331-Q335 HydrophobicContact CZ3-CG 3.8Å; W331-Q335 WeakPolarHBondContact O-CG 3.46Å; W331-Q335 PolarHBondContact O-N 2.61Å; W331-L352 HydrophobicContact CE3-CD2 4.42Å; W331-L352 HydrophobicContact CH2-CD2 4.3Å; W331-L352 HydrophobicContact CZ3-CD2 3.56Å; W331-P353 HydrophobicContact CH2-CG 3.68Å; W331-P353 HydrophobicContact CZ2-CG 4.34Å; W331-P353 HydrophobicContact CZ3-CG 4.24Å; W331-L356 HydrophobicContact CE3-CD1 3.92Å; W331-L356 HydrophobicContact CE3-CD2 3.97Å; W331-L356 HydrophobicContact CZ3-CD2 3.99Å; W331-F362 HydrophobicContact CB-CE1 4.14Å; W331-F362 AromaticContact CD2-CE1 3.75Å; W331-F362 HydrophobicContact CD2-CE1 3.75Å; W331-F362 AromaticContact CD2-CZ 3.94Å; W331-F362 HydrophobicContact CD2-CZ 3.94Å; W331-F362 HydrophobicContact CE3-CE1 4.16Å; W331-F362 HydrophobicContact CE3-CZ 4.13Å; W331-F362 AromaticContact CG-CE1 3.71Å; W331-F362 HydrophobicContact CG-CE1 3.71Å; W331-F362 HydrophobicContact CG-CZ 4.36Å; W331-F362 HydrophobicContact CZ2-CZ 4.39Å; W331-F362 HydrophobicContact CZ3-CZ 4.43Å; W331-W364 HydrophobicContact CB-CZ2 4.32Å; W331-W364 AromaticContact CD1-CD1 3.6Å; W331-W364 AromaticContact CD1-CD2 3.69Å; W331-W364 AromaticContact CD1-CE2 3.78Å; W331-W364 AromaticContact CD1-CG 3.53Å; W331-W364 AromaticContact CD1-NE1 3.76Å; W331-W364 HydrophobicContact CG-CG 4.46Å; W331-P365 HydrophobicContact CZ2-CG 3.91Å
332V97.4Very high95.5Very high5 Ų523.5 Ų23.53%0.0311%0.112CC..Hα-helixtrans-60.3-46.4175.6174.60000111.3L53 S309 F313 R328 S329 S334 Q335 S336 L352 L356L53-V332 HydrophobicContact CD1-CG1 4.44Å; L53-V332 HydrophobicContact CD2-CG1 4.21Å; L53-V332 HydrophobicContact CD2-CG2 4.39Å; S309-V332 WeakPolarHBondContact OG-CG1 3.34Å; F313-V332 HydrophobicContact CE2-CG2 4.41Å; R328-V332 WeakPolarHBondContact O-CG2 3.44Å; R328-V332 PolarHBondContact O-N 3.25Å; S329-V332 PolarHBondContact O-N 3.14Å; V332-S334 VanDerWaalsContact C-N 3.25Å; V332-S334 PolarHBondContact O-N 2.86Å; V332-Q335 WeakPolarHBondContact O-CB 3.5Å; V332-Q335 PolarHBondContact O-N 2.66Å; V332-S336 PolarHBondContact O-N 2.86Å; V332-L352 HydrophobicContact CG2-CD1 4.41Å; V332-L356 HydrophobicContact CG2-CD2 3.67Å
333A97.4Very high95.5Very high12 Ų1223.4 Ų23.410%0.09911%0.111CC..Hα-helixtrans-60.9-35.1176.800000112.3C305 F306 S329 V330 W331 Q335 S336C305-A333 HydrophobicContact CB-CB 4.36Å; F306-A333 HydrophobicContact CB-CB 3.86Å; S329-A333 WeakPolarHBondContact O-CB 3.4Å; S329-A333 PolarHBondContact O-N 2.98Å; V330-A333 PolarHBondContact O-N 2.92Å; W331-A333 PolarHBondContact O-N 2.79Å; A333-Q335 PolarHBondContact O-N 2.75Å; A333-S336 PolarHBondContact O-N 3.37Å; A333-S336 PolarHBondContact O-OG 2.98Å
334S96Very high95.3Very high9 Ų927.7 Ų27.76%0.06314%0.141CC..Hα-helixtrans-67.5-18.4174.278.10000113.7F294 V330 W331 V332 I337F294-S334 WeakPolarHBondContact CE2-OG 3.1Å; V330-S334 PolarHBondContact O-N 2.83Å; W331-S334 WeakPolarHBondContact O-CB 3.23Å; W331-S334 PolarHBondContact O-N 3.2Å; W331-S334 PolarHBondContact O-OG 3.05Å; V332-S334 VanDerWaalsContact C-N 3.25Å; V332-S334 PolarHBondContact O-N 2.86Å; S334-I337 WeakPolarHBondContact O-CG1 3.29Å
335Q95.7Very high95.2Very high5 Ų527.5 Ų27.52%0.02314%0.14CC..Hα-helixtrans-81.7-29.7172.9-56.3-45.1-56.700112.4W331 V332 A333 I337 R338 L347 L352W331-Q335 HydrophobicContact CD2-CG 4.43Å; W331-Q335 HydrophobicContact CE3-CG 4.04Å; W331-Q335 HydrophobicContact CH2-CG 3.92Å; W331-Q335 HydrophobicContact CZ2-CG 4.32Å; W331-Q335 HydrophobicContact CZ3-CG 3.8Å; W331-Q335 WeakPolarHBondContact O-CG 3.46Å; W331-Q335 PolarHBondContact O-N 2.61Å; V332-Q335 WeakPolarHBondContact O-CB 3.5Å; V332-Q335 PolarHBondContact O-N 2.66Å; A333-Q335 PolarHBondContact O-N 2.75Å; Q335-I337 PolarHBondContact O-N 2.86Å; Q335-R338 WeakPolarHBondContact O-CB 3.14Å; Q335-R338 PolarHBondContact O-N 2.9Å; Q335-L347 HydrophobicContact CB-CD1 3.63Å; Q335-L347 HydrophobicContact CB-CG 4.12Å; Q335-L347 HydrophobicContact CG-CD1 4.15Å; Q335-L352 HydrophobicContact CG-CD2 4.13Å
336S95.6Very high95.2Very high1 Ų127.2 Ų27.21%0.00714%0.139CC..Hα-helixtrans-65.1-28.2-17975.40000112.2V332 A333 R338 S345V332-S336 PolarHBondContact O-N 2.86Å; A333-S336 PolarHBondContact O-N 3.37Å; A333-S336 PolarHBondContact O-OG 2.98Å; S336-R338 PolarHBondContact O-N 3.14Å; S336-R338 VanDerWaalsContact O-N 3.15Å; S336-S345 WeakPolarHBondContact O-CB 3.45Å; S336-S345 PolarHBondContact O-OG 3.41Å
337I94.9Very high95.2Very high29 Ų2928.4 Ų28.415%0.14915%0.145CC..THydrogen-bonded Turntrans-73.6-6.8-177.673.2-179.4000114.4V296 V297 D298 T299 A302 S334 Q335V296-I337 HydrophobicContact CG1-CB 4.5Å; V296-I337 HydrophobicContact CG1-CD1 4.29Å; V296-I337 HydrophobicContact CG2-CD1 3.83Å; V297-I337 PolarHBondContact N-O 3.15Å; D298-I337 PolarHBondContact N-O 3.47Å; D298-I337 VanDerWaalsContact N-O 3.14Å; D298-I337 WeakPolarHBondContact O-CA 3.39Å; T299-I337 HydrophobicContact CG2-CG2 4.35Å; A302-I337 HydrophobicContact CB-CG2 3.76Å; S334-I337 WeakPolarHBondContact O-CG1 3.29Å; Q335-I337 PolarHBondContact O-N 2.86Å
338R94.4Very high95.2Very high115 Ų11533.5 Ų33.543%0.43417%0.167SC..THydrogen-bonded Turntrans-88.7-7.4-174.8-57.1176.664.7-1740.5113.1F294 V297 Q335 S336F294-R338 HydrophobicContact CB-CG 4.23Å; V297-R338 WeakPolarHBondContact CG2-O 3.3Å; Q335-R338 WeakPolarHBondContact O-CB 3.14Å; Q335-R338 PolarHBondContact O-N 2.9Å; S336-R338 PolarHBondContact O-N 3.14Å; S336-R338 VanDerWaalsContact O-N 3.15Å
339K93.1Very high95.1Very high80 Ų8038 Ų3835%0.34818%0.184SC..SBendtrans-127.5154.3177.9-67.8178.2-179176.40108.6S345 L347 E351K339-S345 WeakPolarHBondContact O-CB 3.5Å; K339-L347 HydrophobicContact CD-CD2 4.01Å; K339-L347 VanDerWaalsContact CE-CD2 3.48Å; K339-E351 IonicContact NZ-OE1 3.82Å; K339-E351 PolarHBondContact NZ-OE1 2.8Å
340K88.6Confident95Very high139 Ų13944.5 Ų44.560%0.60422%0.219SC*.SBendtrans-74144179.1-169175.9-179.1178.30111.7V297 S344V297-K340 HydrophobicContact CG1-CB 4.3Å; K340-S344 PolarHBondContact O-OG 2.79Å; K340-S344 VanDerWaalsContact O-OG 3.06Å
341G88.3Confident95Very high19 Ų1948.6 Ų48.620%0.19624%0.237CC..SBendtrans85.9-177.4175.200000113.9D298 S345D298-G341 WeakPolarHBondContact OD2-CA 3.28Å; D298-G341 PolarHBondContact OD2-N 3.38Å; G341-S345 WeakPolarHBondContact O-CB 3.5Å; G341-S345 PolarHBondContact O-OG 3.06Å
342T91.7Very high95Very high17 Ų1748.4 Ų48.410%0.10424%0.237CC..SBendtrans-93.1-91.4-173.4-48.50000111.1N45 T300 S344 S345 Y346N45-T342 HydrophobicContact CB-CG2 4.3Å; N45-T342 VanDerWaalsContact CG-CG2 3.48Å; N45-T342 VanDerWaalsContact ND2-CG2 3.32Å; N45-T342 WeakPolarHBondContact ND2-CG2 3.44Å; T300-T342 VanDerWaalsContact CG2-OG1 3.31Å; T300-T342 WeakPolarHBondContact CG2-OG1 3.42Å; T342-S344 PolarHBondContact O-N 3.5Å; T342-S344 VanDerWaalsContact O-N 3.13Å; T342-S345 PolarHBondContact O-N 3.01Å; T342-S345 PolarHBondContact O-OG 3.05Å; T342-Y346 WeakPolarHBondContact O-CD1 3.34Å; T342-Y346 WeakPolarHBondContact O-CE1 3.36Å
343Q95.7Very high94.8Very high18 Ų1850.1 Ų50.18%0.08425%0.248CC..G310 helixtrans-61.1-29.8-177.9-63.2-179.915.600112.9Y39 N45 V48 H75 S345 Y346Y39-Q343 PolarHBondContact O-NE2 3.23Å; N45-Q343 WeakPolarHBondContact OD1-CG 3.4Å; N45-Q343 PolarHBondContact OD1-NE2 3.38Å; V48-Q343 HydrophobicContact CB-CG 4.31Å; V48-Q343 HydrophobicContact CG1-CB 4.23Å; V48-Q343 HydrophobicContact CG1-CG 4.32Å; V48-Q343 HydrophobicContact CG2-CG 4.44Å; H75-Q343 PolarHBondContact NE2-OE1 2.92Å; Q343-S345 PolarHBondContact O-N 2.89Å; Q343-Y346 HydrophobicContact CG-CE2 4.41Å; Q343-Y346 PolarHBondContact O-N 3.1Å
344S93.4Very high94.7Very high89 Ų8955.6 Ų55.662%0.62228%0.276SS*.G310 helixtrans-68.1-18.8176.953.80000113.9K340 T342K340-S344 PolarHBondContact O-OG 2.79Å; K340-S344 VanDerWaalsContact O-OG 3.06Å; T342-S344 PolarHBondContact O-N 3.5Å; T342-S344 VanDerWaalsContact O-N 3.13Å
345S95.2Very high94.6Very high0 Ų059 Ų590%030%0.297CS..G310 helixtrans-92.5-15.2-179.671.80000113.5S336 K339 G341 T342 Q343 L347S336-S345 WeakPolarHBondContact O-CB 3.45Å; S336-S345 PolarHBondContact O-OG 3.41Å; K339-S345 WeakPolarHBondContact O-CB 3.5Å; G341-S345 WeakPolarHBondContact O-CB 3.5Å; G341-S345 PolarHBondContact O-OG 3.06Å; T342-S345 PolarHBondContact O-N 3.01Å; T342-S345 PolarHBondContact O-OG 3.05Å; Q343-S345 PolarHBondContact O-N 2.89Å; S345-L347 PolarHBondContact O-N 3.2Å
346Y97.9Very high94.6Very high10 Ų1058.8 Ų58.84%0.03930%0.296CS..PPolyproline II helixtrans-69.4122.1-179.4-58.2-15.4000110.8N45 V48 A49 G301 D304 C305 T342 Q343N45-Y346 HydrophobicContact CB-CE2 4.36Å; N45-Y346 WeakPolarHBondContact O-CE2 3.43Å; V48-Y346 HydrophobicContact CG1-CD2 4.15Å; A49-Y346 HydrophobicContact CB-CD2 3.87Å; A49-Y346 HydrophobicContact CB-CE2 3.86Å; G301-Y346 PolarHBondContact O-OH 3.33Å; D304-Y346 WeakPolarHBondContact CB-OH 3.47Å; C305-Y346 HydrophobicContact CB-CD1 3.97Å; C305-Y346 HydrophobicContact CB-CE1 3.5Å; T342-Y346 WeakPolarHBondContact O-CD1 3.34Å; T342-Y346 WeakPolarHBondContact O-CE1 3.36Å; Q343-Y346 HydrophobicContact CG-CE2 4.41Å; Q343-Y346 PolarHBondContact O-N 3.1Å
347L96.7Very high94.6Very high24 Ų2459.4 Ų59.413%0.12630%0.298CS..PPolyproline II helixtrans-74.6138.4179.4-61.2-166000110.7V52 Q335 K339 S345 E351 L352V52-L347 WeakPolarHBondContact CG2-O 3.45Å; Q335-L347 HydrophobicContact CB-CD1 3.63Å; Q335-L347 HydrophobicContact CB-CG 4.12Å; Q335-L347 HydrophobicContact CG-CD1 4.15Å; K339-L347 HydrophobicContact CD-CD2 4.01Å; K339-L347 VanDerWaalsContact CE-CD2 3.48Å; S345-L347 PolarHBondContact O-N 3.2Å; L347-E351 HydrophobicContact CB-CB 4.13Å; L347-L352 HydrophobicContact CB-CD1 4.34Å; L347-L352 HydrophobicContact CB-CD2 3.9Å; L347-L352 HydrophobicContact CB-CG 4Å; L347-L352 HydrophobicContact CD1-CD2 3.79Å; L347-L352 HydrophobicContact CG-CD2 4.41Å
348K97.1Very high94.6Very high109 Ų10959.5 Ų59.547%0.47430%0.303SS..PPolyproline II helixtrans-73.9159.8170.6-65174.8-176.3175.60110.6V52 D350 E351V52-K348 HydrophobicContact CB-CG 4.25Å; V52-K348 WeakPolarHBondContact O-CA 3.17Å; K348-D350 WeakPolarHBondContact CB-OD1 3.37Å; K348-D350 PolarHBondContact O-N 2.83Å; K348-D350 VanDerWaalsContact O-N 3.15Å; K348-E351 HydrophobicContact CB-CG 4.46Å; K348-E351 PolarHBondContact N-OE2 2.87Å; K348-E351 WeakPolarHBondContact O-CB 3.4Å; K348-E351 PolarHBondContact O-N 2.89Å
349R96.7Very high94.4Very high94 Ų9457.9 Ų57.936%0.35531%0.309SS..G310 helixtrans-49.1-40.9178-172.1-172.7168.183.87.4113.3V52 Y312 E351 L352 F357V52-R349 PolarHBondContact O-N 2.91Å; Y312-R349 PolarHBondContact OH-NH1 2.81Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 2.76Å; R349-L352 PolarHBondContact O-N 2.85Å; R349-F357 HydrophobicContact CB-CE2 4.48Å; R349-F357 HydrophobicContact CB-CZ 4.37Å; R349-F357 HydrophobicContact CG-CD2 4.06Å; R349-F357 HydrophobicContact CG-CE1 4.41Å; R349-F357 HydrophobicContact CG-CE2 3.52Å; R349-F357 HydrophobicContact CG-CZ 3.71Å; R349-F357 VanDerWaalsContact NH1-CD1 3.29Å
350D96Very high94.3Very high137 Ų13760.6 Ų60.673%0.73332%0.324SS*.G310 helixtrans-76.8-11.1-178.760.2-26.8000114.1K348K348-D350 WeakPolarHBondContact CB-OD1 3.37Å; K348-D350 PolarHBondContact O-N 2.83Å; K348-D350 VanDerWaalsContact O-N 3.15Å
351E96.3Very high94.2Very high94 Ų9457 Ų5744%0.43931%0.313SS..G310 helixtrans-91.7-1.8170.9-63.1175.992.300112.4K339 L347 K348 R349K339-E351 IonicContact NZ-OE1 3.82Å; K339-E351 PolarHBondContact NZ-OE1 2.8Å; L347-E351 HydrophobicContact CB-CB 4.13Å; K348-E351 HydrophobicContact CB-CG 4.46Å; K348-E351 PolarHBondContact N-OE2 2.87Å; K348-E351 WeakPolarHBondContact O-CB 3.4Å; K348-E351 PolarHBondContact O-N 2.89Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 2.76Å
352L96.1Very high94.3Very high11 Ų1156.1 Ų56.16%0.05830%0.304CS..SBendtrans-113.3153.3-176.5-62.6162.9000110.4L53 W331 V332 Q335 L347 R349 D354 L356 F357L53-L352 HydrophobicContact CD2-CD1 3.36Å; W331-L352 HydrophobicContact CE3-CD2 4.42Å; W331-L352 HydrophobicContact CH2-CD2 4.3Å; W331-L352 HydrophobicContact CZ3-CD2 3.56Å; V332-L352 HydrophobicContact CG2-CD1 4.41Å; Q335-L352 HydrophobicContact CG-CD2 4.13Å; L347-L352 HydrophobicContact CB-CD1 4.34Å; L347-L352 HydrophobicContact CB-CD2 3.9Å; L347-L352 HydrophobicContact CB-CG 4Å; L347-L352 HydrophobicContact CD1-CD2 3.79Å; L347-L352 HydrophobicContact CG-CD2 4.41Å; R349-L352 PolarHBondContact O-N 2.85Å; L352-D354 PolarHBondContact O-N 2.95Å; L352-L356 HydrophobicContact CB-CD2 3.96Å; L352-L356 HydrophobicContact CD1-CD2 4.06Å; L352-L356 HydrophobicContact CD2-CD2 4.36Å; L352-L356 HydrophobicContact CG-CD2 4.36Å; L352-F357 HydrophobicContact CB-CE2 3.98Å; L352-F357 HydrophobicContact CB-CZ 4.11Å; L352-F357 HydrophobicContact CD1-CZ 3.85Å
353P95.2Very high94.1Very high40 Ų4061.4 Ų61.426%0.2633%0.327SS..  trans-60.7134.9178.4-21.232000111.9W331 T355 L356 F362 P365W331-P353 HydrophobicContact CH2-CG 3.68Å; W331-P353 HydrophobicContact CZ2-CG 4.34Å; W331-P353 HydrophobicContact CZ3-CG 4.24Å; P353-T355 PolarHBondContact O-N 2.9Å; P353-T355 VanDerWaalsContact O-N 3.17Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 PolarHBondContact O-N 2.88Å; P353-F362 HydrophobicContact CB-CE2 4.4Å; P353-P365 HydrophobicContact CG-CG 3.96Å
354D94.3Very high93.6Very high128 Ų12863.3 Ų63.368%0.68433%0.334SS*.G310 helixtrans-58.6-32.3178.8-75.8-37.1000112.9L352 L356 F357 A358L352-D354 PolarHBondContact O-N 2.95Å; D354-L356 PolarHBondContact O-N 2.91Å; D354-F357 PolarHBondContact O-N 2.98Å; D354-A358 PolarHBondContact O-N 3.48Å
355T94.5Very high92.8Very high81 Ų8166 Ų6650%0.49735%0.349SS..G310 helixtrans-61.7-21.9176.753.60000113.2P353 F357 A358 F362P353-T355 PolarHBondContact O-N 2.9Å; P353-T355 VanDerWaalsContact O-N 3.17Å; T355-F357 PolarHBondContact O-N 2.97Å; T355-A358 PolarHBondContact O-N 3.15Å; T355-F362 WeakPolarHBondContact OG1-CE2 3.25Å
356L95.5Very high92.7Very high0 Ų069.4 Ų69.40%037%0.367CS..G310 helixtrans-63.2-22.7173.4-176.469.1000112.2F313 R328 W331 V332 L352 P353 D354 F362F313-L356 HydrophobicContact CZ-CD1 4.49Å; F313-L356 HydrophobicContact CZ-CG 4.22Å; R328-L356 HydrophobicContact CB-CD1 3.79Å; R328-L356 VanDerWaalsContact CD-O 3.25Å; R328-L356 WeakPolarHBondContact CD-O 3.37Å; R328-L356 HydrophobicContact CG-CD1 3.84Å; R328-L356 PolarHBondContact NE-O 2.56Å; R328-L356 PolarHBondContact NH1-O 3.19Å; W331-L356 HydrophobicContact CE3-CD1 3.92Å; W331-L356 HydrophobicContact CE3-CD2 3.97Å; W331-L356 HydrophobicContact CZ3-CD2 3.99Å; V332-L356 HydrophobicContact CG2-CD2 3.67Å; L352-L356 HydrophobicContact CB-CD2 3.96Å; L352-L356 HydrophobicContact CD1-CD2 4.06Å; L352-L356 HydrophobicContact CD2-CD2 4.36Å; L352-L356 HydrophobicContact CG-CD2 4.36Å; P353-L356 WeakPolarHBondContact O-CB 3.37Å; P353-L356 PolarHBondContact O-N 2.88Å; D354-L356 PolarHBondContact O-N 2.91Å; L356-F362 HydrophobicContact CB-CD2 4.21Å; L356-F362 HydrophobicContact CB-CE2 3.93Å; L356-F362 HydrophobicContact CB-CZ 4.18Å; L356-F362 HydrophobicContact CD1-CD1 3.64Å; L356-F362 HydrophobicContact CD1-CD2 4.37Å; L356-F362 HydrophobicContact CD1-CE1 3.43Å; L356-F362 VanDerWaalsContact CD1-CE1 3.43Å; L356-F362 HydrophobicContact CD1-CE2 4.19Å; L356-F362 HydrophobicContact CD1-CG 4.11Å; L356-F362 HydrophobicContact CD1-CZ 3.73Å
357F95.8Very high92.4Very high14 Ų1472.5 Ų72.56%0.06138%0.384CS..G310 helixtrans-116.46-175-51.1-70.4000113.2L53 Y312 F313 H317 R349 L352 D354 T355L53-F357 HydrophobicContact CD2-CE1 4.27Å; L53-F357 HydrophobicContact CD2-CZ 4.17Å; Y312-F357 AromaticContact CE1-CD1 3.86Å; Y312-F357 HydrophobicContact CE1-CD1 3.86Å; Y312-F357 AromaticContact CE1-CE1 3.75Å; Y312-F357 HydrophobicContact CE1-CE1 3.75Å; Y312-F357 VanDerWaalsContact OH-CD1 3.3Å; Y312-F357 WeakPolarHBondContact OH-CD1 3.28Å; F313-F357 HydrophobicContact CE1-CD1 4.15Å; F313-F357 HydrophobicContact CZ-CD1 4.26Å; F313-F357 HydrophobicContact CZ-CE1 4.22Å; H317-F357 PolarHBondContact CE1-O 3.45Å; H317-F357 VanDerWaalsContact CE1-O 3.31Å; R349-F357 HydrophobicContact CB-CE2 4.48Å; R349-F357 HydrophobicContact CB-CZ 4.37Å; R349-F357 HydrophobicContact CG-CD2 4.06Å; R349-F357 HydrophobicContact CG-CE1 4.41Å; R349-F357 HydrophobicContact CG-CE2 3.52Å; R349-F357 HydrophobicContact CG-CZ 3.71Å; R349-F357 VanDerWaalsContact NH1-CD1 3.29Å; L352-F357 HydrophobicContact CB-CE2 3.98Å; L352-F357 HydrophobicContact CB-CZ 4.11Å; L352-F357 HydrophobicContact CD1-CZ 3.85Å; D354-F357 PolarHBondContact O-N 2.98Å; T355-F357 PolarHBondContact O-N 2.97Å
358A93.8Very high92.1Very high30 Ų3075.2 Ų75.225%0.24840%0.399CS..SBendtrans-83.9165.317700000110.6R328 D354 T355 E360R328-A358 VanDerWaalsContact CZ-O 3.23Å; R328-A358 PolarHBondContact NH1-O 2.76Å; R328-A358 PolarHBondContact NH2-O 3.14Å; D354-A358 PolarHBondContact O-N 3.48Å; T355-A358 PolarHBondContact O-N 3.15Å; A358-E360 VanDerWaalsContact C-N 3.31Å; A358-E360 WeakPolarHBondContact CB-OE2 3.41Å
359S91.2Very high91.9Very high81 Ų8173.2 Ų73.257%0.56639%0.394SS*.SBendtrans-76.9-19.2-179.7-55.40000112.5D319D319-S359 VanDerWaalsContact OD2-CB 3.28Å; D319-S359 WeakPolarHBondContact OD2-CB 3.48Å; D319-S359 PolarHBondContact OD2-OG 2.92Å
360E89.6Confident91.6Very high138 Ų13871.9 Ų71.965%0.64540%0.397SS*.SBendtrans-72156.1176-55.186.7175.700112.1R328 A358 F362R328-E360 PolarHBondContact NH2-O 2.71Å; A358-E360 VanDerWaalsContact C-N 3.31Å; A358-E360 WeakPolarHBondContact CB-OE2 3.41Å; E360-F362 PolarHBondContact O-N 2.79Å
361T88.3Confident91.3Very high62 Ų6267.5 Ų67.538%0.3837%0.374SS..PPolyproline II helixtrans-56.4123.3174.7-52.90000111.1Q363T361-Q363 PolarHBondContact O-N 2.63Å
362F90.6Very high90.9Very high2 Ų265.6 Ų65.61%0.00937%0.37CS..PPolyproline II helixtrans-73.6124.1178.8179-120.5000110.1E324 R327 R328 W331 P353 T355 L356 E360 W364 P365E324-F362 WeakPolarHBondContact OE1-CB 3.27Å; E324-F362 PolarHBondContact OE1-N 2.96Å; R327-F362 PolarHBondContact NH1-O 3.16Å; R327-F362 PolarHBondContact NH2-O 2.92Å; R328-F362 HydrophobicContact CG-CB 4.17Å; R328-F362 HydrophobicContact CG-CD1 4.21Å; R328-F362 HydrophobicContact CG-CG 4.48Å; W331-F362 HydrophobicContact CB-CE1 4.14Å; W331-F362 AromaticContact CD2-CE1 3.75Å; W331-F362 HydrophobicContact CD2-CE1 3.75Å; W331-F362 AromaticContact CD2-CZ 3.94Å; W331-F362 HydrophobicContact CD2-CZ 3.94Å; W331-F362 HydrophobicContact CE3-CE1 4.16Å; W331-F362 HydrophobicContact CE3-CZ 4.13Å; W331-F362 AromaticContact CG-CE1 3.71Å; W331-F362 HydrophobicContact CG-CE1 3.71Å; W331-F362 HydrophobicContact CG-CZ 4.36Å; W331-F362 HydrophobicContact CZ2-CZ 4.39Å; W331-F362 HydrophobicContact CZ3-CZ 4.43Å; P353-F362 HydrophobicContact CB-CE2 4.4Å; T355-F362 WeakPolarHBondContact OG1-CE2 3.25Å; L356-F362 HydrophobicContact CB-CD2 4.21Å; L356-F362 HydrophobicContact CB-CE2 3.93Å; L356-F362 HydrophobicContact CB-CZ 4.18Å; L356-F362 HydrophobicContact CD1-CD1 3.64Å; L356-F362 HydrophobicContact CD1-CD2 4.37Å; L356-F362 HydrophobicContact CD1-CE1 3.43Å; L356-F362 VanDerWaalsContact CD1-CE1 3.43Å; L356-F362 HydrophobicContact CD1-CE2 4.19Å; L356-F362 HydrophobicContact CD1-CG 4.11Å; L356-F362 HydrophobicContact CD1-CZ 3.73Å; E360-F362 PolarHBondContact O-N 2.79Å; F362-W364 AromaticContact CD1-CD1 3.5Å; F362-W364 AromaticContact CD1-NE1 3.84Å; F362-W364 AromaticContact CE1-CD1 3.36Å; F362-W364 HydrophobicContact CE1-CG 4.38Å; F362-W364 AromaticContact CE1-NE1 3.89Å; F362-P365 HydrophobicContact CZ-CG 4.47Å
363Q87.2Confident90.5Very high127 Ų12769.8 Ų69.859%0.59339%0.394SS*.PPolyproline II helixtrans-97.8126.6169.4-63.9-62.2-40.500108.1T361T361-Q363 PolarHBondContact O-N 2.63Å
364W83.4Confident90.1Very high59 Ų5972.3 Ų72.322%0.22341%0.405CS..PPolyproline II helixtrans-64.4131.1179.6-65.2-1.3000109.6D269 S289 P291 V330 W331 F362D269-W364 HydrophobicContact CB-CD2 4.39Å; D269-W364 HydrophobicContact CB-CE3 4.03Å; D269-W364 HydrophobicContact CB-CH2 3.54Å; D269-W364 HydrophobicContact CB-CZ2 3.88Å; D269-W364 HydrophobicContact CB-CZ3 3.57Å; D269-W364 WeakPolarHBondContact OD2-CZ2 3.41Å; S289-W364 WeakPolarHBondContact O-CH2 3.36Å; S289-W364 VanDerWaalsContact O-CZ3 3.22Å; S289-W364 WeakPolarHBondContact O-CZ3 3.29Å; P291-W364 HydrophobicContact CB-CE3 4.38Å; P291-W364 HydrophobicContact CB-CZ3 4.22Å; P291-W364 VanDerWaalsContact CD-CZ3 3.48Å; P291-W364 HydrophobicContact CG-CD2 4.33Å; P291-W364 HydrophobicContact CG-CE3 3.69Å; P291-W364 HydrophobicContact CG-CH2 3.89Å; P291-W364 HydrophobicContact CG-CZ3 3.45Å; P291-W364 VanDerWaalsContact CG-CZ3 3.45Å; V330-W364 HydrophobicContact CG1-CH2 4.23Å; V330-W364 HydrophobicContact CG1-CZ2 4.46Å; W331-W364 HydrophobicContact CB-CZ2 4.32Å; W331-W364 AromaticContact CD1-CD1 3.6Å; W331-W364 AromaticContact CD1-CD2 3.69Å; W331-W364 AromaticContact CD1-CE2 3.78Å; W331-W364 AromaticContact CD1-CG 3.53Å; W331-W364 AromaticContact CD1-NE1 3.76Å; W331-W364 HydrophobicContact CG-CG 4.46Å; F362-W364 AromaticContact CD1-CD1 3.5Å; F362-W364 AromaticContact CD1-NE1 3.84Å; F362-W364 AromaticContact CE1-CD1 3.36Å; F362-W364 HydrophobicContact CE1-CG 4.38Å; F362-W364 AromaticContact CE1-NE1 3.89Å
365P77.1Confident89.7Confident146 Ų14667.3 Ų67.395%0.94838%0.379SS*.  trans-57.70-178.7-25.433.7000114.9W331 P353 F362W331-P365 HydrophobicContact CZ2-CG 3.91Å; P353-P365 HydrophobicContact CG-CG 3.96Å; F362-P365 HydrophobicContact CZ-CG 4.47Å

Retrieved 365 of 365 residues in 246.2 ms (Link to these results)

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