A0A5K4FAI0_SCHMA Loading...

Vacuolar protein sorting-associated protein 33A

AlphaFold DB , UniProt , Accession A0A5K4FAI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 742 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
1M40.3Very low67.1Low156 Ų15660.5 Ų60.577%0.76832%0.323SS*.  090-72.1-178.1-17000112.6H3M1-H3 PolarHBondContact O-N 3.27Å
2I31.9Very low69Low127 Ų12756 Ų5665%0.65130%0.299SS*.THydrogen-bonded Turntrans-77.6-15.3-171.2-63.7168.6000113.7T5I2-T5 PolarHBondContact O-OG1 3.17Å
3H46.2Very low71Confident49 Ų4954.8 Ų54.823%0.22729%0.292CS..THydrogen-bonded Turntrans-95.8-14.3-168.6-67.4-73.2000116.4M1 T5 E6 C152 S291M1-H3 PolarHBondContact O-N 3.27Å; H3-T5 PolarHBondContact O-N 3.11Å; H3-E6 IonicContact CE1-OE2 3.71Å; H3-E6 IonicContact CG-OE2 2.91Å; H3-E6 IonicContact ND1-OE1 2.66Å; H3-E6 IonicContact ND1-OE2 3.86Å; H3-E6 PolarHBondContact ND1-OE2 3.36Å; H3-E6 PolarHBondContact O-N 2.91Å; H3-C152 WeakPolarHBondContact O-CB 3.46Å; H3-S291 WeakPolarHBondContact CB-O 3.48Å
4V51.2Low72.7Confident27 Ų2750.9 Ų50.916%0.16427%0.271CS..G310 helixtrans-73.7-13.8175.3-1760000111I11 D12 P149V4-I11 HydrophobicContact CG1-CD1 4.12Å; V4-I11 HydrophobicContact CG1-CG1 3.63Å; V4-D12 VanDerWaalsContact CB-CG 3.44Å; V4-D12 WeakPolarHBondContact CB-OD1 3.45Å; V4-D12 HydrophobicContact CG1-CB 4.32Å; V4-D12 VanDerWaalsContact CG1-CG 3.47Å; V4-D12 WeakPolarHBondContact CG1-OD1 3.38Å; V4-P149 HydrophobicContact CG1-CB 4.24Å
5T53.8Low74.1Confident72 Ų7250 Ų5044%0.44226%0.262SS..G310 helixtrans-83.9-6.5175.459.80000114.3I2 H3 G7I2-T5 PolarHBondContact O-OG1 3.17Å; H3-T5 PolarHBondContact O-N 3.11Å; T5-G7 VanDerWaalsContact C-N 3.31Å
6E70.5Confident75.4Confident134 Ų13452.3 Ų52.363%0.62627%0.271SS*.G310 helixtrans-88.65.1-178.7-65.9178.4157.400113.3H3H3-E6 IonicContact CE1-OE2 3.71Å; H3-E6 IonicContact CG-OE2 2.91Å; H3-E6 IonicContact ND1-OE1 2.66Å; H3-E6 IonicContact ND1-OE2 3.86Å; H3-E6 PolarHBondContact ND1-OE2 3.36Å; H3-E6 PolarHBondContact O-N 2.91Å
7G81.4Confident76.6Confident20 Ų2050.9 Ų50.921%0.20627%0.268CS..SBendtrans-84.1178.8178.400000114.1T5 L9T5-G7 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.47Å; G7-L9 VanDerWaalsContact O-N 3.16Å
8P87.3Confident77.7Confident30 Ų3048.3 Ų48.320%0.19525%0.253CS..SBendtrans-58.7-30.2178.8-24.235.5000113I683 E712 V714P8-I683 HydrophobicContact CB-CD1 4.29Å; P8-I683 HydrophobicContact CB-CG1 4.28Å; P8-I683 HydrophobicContact CB-CG2 4.35Å; P8-I683 VanDerWaalsContact O-CD1 3.23Å; P8-I683 WeakPolarHBondContact O-CD1 3.39Å; P8-E712 WeakPolarHBondContact CA-OE2 3.45Å; P8-E712 HydrophobicContact CB-CB 3.79Å; P8-E712 WeakPolarHBondContact CB-OE2 3.36Å; P8-E712 HydrophobicContact CG-CB 3.69Å; P8-E712 HydrophobicContact CG-CG 4.32Å; P8-V714 HydrophobicContact CB-CG2 3.97Å; P8-V714 HydrophobicContact CG-CG2 4.11Å
9L91.9Very high78.7Confident6 Ų647.7 Ų47.73%0.03125%0.249CC..SBendtrans-128.9150.1174.7-63.9176000109.1G7 I11 F185 F189 Q235 T236 I683 V714G7-L9 PolarHBondContact O-N 3.47Å; G7-L9 VanDerWaalsContact O-N 3.16Å; L9-I11 HydrophobicContact CB-CG2 3.86Å; L9-I11 PolarHBondContact O-N 2.84Å; L9-F185 HydrophobicContact CD1-CE2 4.12Å; L9-F185 HydrophobicContact CD1-CZ 3.59Å; L9-F189 HydrophobicContact CB-CD1 4.48Å; L9-F189 HydrophobicContact CB-CE1 4.22Å; L9-F189 HydrophobicContact CD1-CD1 4.21Å; L9-F189 HydrophobicContact CD1-CG 4.22Å; L9-F189 HydrophobicContact CD2-CD1 4.38Å; L9-Q235 HydrophobicContact CD2-CB 3.69Å; L9-T236 HydrophobicContact CD1-CG2 3.97Å; L9-I683 HydrophobicContact CD1-CG2 4.29Å; L9-I683 HydrophobicContact CD2-CD1 3.67Å; L9-I683 HydrophobicContact CD2-CG2 4.46Å; L9-I683 HydrophobicContact CG-CD1 4.22Å; L9-I683 HydrophobicContact CG-CG2 4.17Å; L9-V714 HydrophobicContact CD1-CG2 4.13Å; L9-V714 HydrophobicContact CG-CG2 4.26Å
10N92Very high79.6Confident45 Ų4550.7 Ų50.724%0.24127%0.265CS..  trans-75.673.2168.2-174.13.3000110.4D12 L13N10-D12 PolarHBondContact O-N 3.34Å; N10-D12 VanDerWaalsContact O-N 3.17Å; N10-D12 WeakPolarHBondContact OD1-CB 3.31Å; N10-L13 HydrophobicContact CB-CD1 4.4Å; N10-L13 HydrophobicContact CB-CG 4.45Å; N10-L13 WeakPolarHBondContact O-CB 3.26Å; N10-L13 WeakPolarHBondContact O-CG 3.47Å; N10-L13 PolarHBondContact O-N 3.16Å
11I91.6Very high80.4Confident0 Ų050.1 Ų50.10%026%0.261CS..THydrogen-bonded Turntrans-68.7-9.5-177.862.1175000113.6V4 L9 L13 L14 P149 E151 C152 L155 F189V4-I11 HydrophobicContact CG1-CD1 4.12Å; V4-I11 HydrophobicContact CG1-CG1 3.63Å; L9-I11 HydrophobicContact CB-CG2 3.86Å; L9-I11 PolarHBondContact O-N 2.84Å; I11-L13 PolarHBondContact O-N 3.09Å; I11-L14 WeakPolarHBondContact O-CB 3.35Å; I11-L14 PolarHBondContact O-N 2.98Å; I11-P149 HydrophobicContact CD1-CB 4.11Å; I11-P149 HydrophobicContact CG1-CB 4.34Å; I11-P149 WeakPolarHBondContact O-CG 3.36Å; I11-E151 WeakPolarHBondContact CD1-O 3.45Å; I11-C152 VanDerWaalsContact CD1-C 3.41Å; I11-C152 WeakPolarHBondContact CD1-O 3.37Å; I11-L155 HydrophobicContact CB-CD2 4.2Å; I11-L155 HydrophobicContact CD1-CD2 4.04Å; I11-F189 HydrophobicContact CG2-CZ 4.39Å
12D90.3Very high83.1Confident6 Ų642.7 Ų42.73%0.03223%0.225CC..Hα-helixtrans-61.8-25.6171-96.5-7.2000112.8V4 N10 L14 R15 E16V4-D12 VanDerWaalsContact CB-CG 3.44Å; V4-D12 WeakPolarHBondContact CB-OD1 3.45Å; V4-D12 HydrophobicContact CG1-CB 4.32Å; V4-D12 VanDerWaalsContact CG1-CG 3.47Å; V4-D12 WeakPolarHBondContact CG1-OD1 3.38Å; N10-D12 PolarHBondContact O-N 3.34Å; N10-D12 VanDerWaalsContact O-N 3.17Å; N10-D12 WeakPolarHBondContact OD1-CB 3.31Å; D12-L14 PolarHBondContact O-N 3.47Å; D12-R15 WeakPolarHBondContact O-CB 3.45Å; D12-R15 PolarHBondContact O-N 3.24Å; D12-R15 IonicContact OD1-CZ 2.99Å; D12-R15 IonicContact OD1-NE 2.66Å; D12-R15 IonicContact OD1-NH1 3.48Å; D12-R15 PolarHBondContact OD1-NH1 3.42Å; D12-R15 IonicContact OD1-NH2 3.64Å; D12-R15 PolarHBondContact OD1-NH2 3.41Å; D12-R15 VanDerWaalsContact OD1-NH2 3.14Å; D12-R15 IonicContact OD2-CZ 3.37Å; D12-R15 IonicContact OD2-NH1 3.5Å; D12-R15 PolarHBondContact OD2-NH1 2.7Å; D12-R15 IonicContact OD2-NH2 2.85Å; D12-R15 PolarHBondContact OD2-NH2 3.41Å; D12-E16 PolarHBondContact O-N 3.3Å
13L94.7Very high86.2Confident40 Ų4037.2 Ų37.221%0.20920%0.196CC..Hα-helixtrans-57.4-31.4172.1-65.4177.1000112.3N10 I11 S17 I188 F189N10-L13 HydrophobicContact CB-CD1 4.4Å; N10-L13 HydrophobicContact CB-CG 4.45Å; N10-L13 WeakPolarHBondContact O-CB 3.26Å; N10-L13 WeakPolarHBondContact O-CG 3.47Å; N10-L13 PolarHBondContact O-N 3.16Å; I11-L13 PolarHBondContact O-N 3.09Å; L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.39Å; L13-I188 HydrophobicContact CB-CG2 3.8Å; L13-I188 HydrophobicContact CD1-CG2 4.16Å; L13-F189 HydrophobicContact CB-CZ 4.47Å; L13-F189 HydrophobicContact CD1-CE1 4.38Å
14L94.8Very high88.6Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-68-43.4175.4-17368.3000111.4I11 D12 S17 Y18 I147 L155 R184 I188I11-L14 WeakPolarHBondContact O-CB 3.35Å; I11-L14 PolarHBondContact O-N 2.98Å; D12-L14 PolarHBondContact O-N 3.47Å; L14-S17 WeakPolarHBondContact O-CB 3.37Å; L14-S17 PolarHBondContact O-N 3.08Å; L14-Y18 HydrophobicContact CD1-CD2 4.49Å; L14-Y18 HydrophobicContact CD1-CE2 3.83Å; L14-Y18 HydrophobicContact CD2-CE2 4.25Å; L14-Y18 HydrophobicContact CG-CD2 4.14Å; L14-Y18 HydrophobicContact CG-CE2 3.67Å; L14-Y18 WeakPolarHBondContact O-CD2 3.46Å; L14-Y18 PolarHBondContact O-N 2.92Å; L14-I147 HydrophobicContact CD2-CD1 4.21Å; L14-I147 HydrophobicContact CD2-CG1 4.09Å; L14-L155 HydrophobicContact CD2-CD1 3.81Å; L14-L155 HydrophobicContact CD2-CD2 3.69Å; L14-L155 HydrophobicContact CD2-CG 4.37Å; L14-R184 HydrophobicContact CD1-CB 4.26Å; L14-R184 HydrophobicContact CD1-CG 3.51Å; L14-I188 HydrophobicContact CB-CD1 4.13Å; L14-I188 HydrophobicContact CD1-CD1 3.67Å
15R93.7Very high90.8Very high38 Ų3838.9 Ų38.914%0.14321%0.208CC..Hα-helixtrans-60.9-48.2174.5-178.2-173.664.6-137.8-6.1110.8D12 S17 Y18 Q19 S47 V48 P149D12-R15 WeakPolarHBondContact O-CB 3.45Å; D12-R15 PolarHBondContact O-N 3.24Å; D12-R15 IonicContact OD1-CZ 2.99Å; D12-R15 IonicContact OD1-NE 2.66Å; D12-R15 IonicContact OD1-NH1 3.48Å; D12-R15 PolarHBondContact OD1-NH1 3.42Å; D12-R15 IonicContact OD1-NH2 3.64Å; D12-R15 PolarHBondContact OD1-NH2 3.41Å; D12-R15 VanDerWaalsContact OD1-NH2 3.14Å; D12-R15 IonicContact OD2-CZ 3.37Å; D12-R15 IonicContact OD2-NH1 3.5Å; D12-R15 PolarHBondContact OD2-NH1 2.7Å; D12-R15 IonicContact OD2-NH2 2.85Å; D12-R15 PolarHBondContact OD2-NH2 3.41Å; R15-S17 VanDerWaalsContact C-N 3.27Å; R15-S17 PolarHBondContact O-N 3.3Å; R15-Y18 PolarHBondContact O-N 3.44Å; R15-Q19 WeakPolarHBondContact O-CB 3.4Å; R15-Q19 PolarHBondContact O-N 2.81Å; R15-S47 WeakPolarHBondContact CD-O 3.46Å; R15-V48 HydrophobicContact CG-CG1 4.49Å; R15-P149 HydrophobicContact CB-CG 4.29Å
16E94.4Very high92.8Very high86 Ų8635.5 Ų35.540%0.40219%0.187SC..Hα-helixtrans-59.2-41.2177.6-70.2179.1-177.100111.6D12 Q19 N20D12-E16 PolarHBondContact O-N 3.3Å; E16-Q19 WeakPolarHBondContact O-CB 3.3Å; E16-Q19 PolarHBondContact O-N 3.35Å; E16-N20 WeakPolarHBondContact O-CB 3.48Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.02Å; E16-N20 PolarHBondContact O-ND2 2.73Å
17S95.7Very high94.1Very high30 Ų3033.1 Ų33.121%0.2118%0.179CC..Hα-helixtrans-61.4-46.5177-176.40000112L13 L14 R15 Q19 E21 R184L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.39Å; L14-S17 WeakPolarHBondContact O-CB 3.37Å; L14-S17 PolarHBondContact O-N 3.08Å; R15-S17 VanDerWaalsContact C-N 3.27Å; R15-S17 PolarHBondContact O-N 3.3Å; S17-Q19 VanDerWaalsContact C-N 3.35Å; S17-E21 PolarHBondContact O-N 3.18Å; S17-R184 PolarHBondContact O-NH2 3.15Å; S17-R184 VanDerWaalsContact O-NH2 3.11Å; S17-R184 PolarHBondContact OG-NE 3.45Å; S17-R184 PolarHBondContact OG-NH2 2.88Å
18Y97Very high94.8Very high3 Ų335.3 Ų35.31%0.01220%0.195CC..Hα-helixtrans-63.5-39.5172.9-74-59.5000112.9L14 R15 E21 F22 F143 P144 L145 T146 I147 R184L14-Y18 HydrophobicContact CD1-CD2 4.49Å; L14-Y18 HydrophobicContact CD1-CE2 3.83Å; L14-Y18 HydrophobicContact CD2-CE2 4.25Å; L14-Y18 HydrophobicContact CG-CD2 4.14Å; L14-Y18 HydrophobicContact CG-CE2 3.67Å; L14-Y18 WeakPolarHBondContact O-CD2 3.46Å; L14-Y18 PolarHBondContact O-N 2.92Å; R15-Y18 PolarHBondContact O-N 3.44Å; Y18-E21 PolarHBondContact O-N 3.42Å; Y18-F22 WeakPolarHBondContact O-CB 3.46Å; Y18-F22 PolarHBondContact O-N 3.07Å; Y18-F143 HydrophobicContact CD1-CE2 4.21Å; Y18-F143 HydrophobicContact CD1-CZ 4.23Å; Y18-F143 WeakPolarHBondContact O-CZ 3.32Å; Y18-P144 WeakPolarHBondContact CE1-O 3.26Å; Y18-L145 HydrophobicContact CD1-CD1 3.77Å; Y18-L145 HydrophobicContact CD2-CD1 3.86Å; Y18-L145 HydrophobicContact CE1-CD1 4.18Å; Y18-L145 HydrophobicContact CE2-CD1 4.27Å; Y18-L145 HydrophobicContact CG-CD1 3.6Å; Y18-T146 PolarHBondContact OH-OG1 2.85Å; Y18-I147 WeakPolarHBondContact CE2-O 3.39Å; Y18-R184 HydrophobicContact CE1-CG 4.27Å; Y18-R184 HydrophobicContact CE2-CG 4.49Å
19Q96.4Very high95.1Very high38 Ų3834.4 Ų34.418%0.17819%0.188CC..Hα-helixtrans-61.9-47.6-179.9-176179.549.600111.5R15 E16 S17 F22 F23 V48 D53R15-Q19 WeakPolarHBondContact O-CB 3.4Å; R15-Q19 PolarHBondContact O-N 2.81Å; E16-Q19 WeakPolarHBondContact O-CB 3.3Å; E16-Q19 PolarHBondContact O-N 3.35Å; S17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-F22 PolarHBondContact O-N 3.5Å; Q19-F23 HydrophobicContact CG-CD2 3.7Å; Q19-F23 HydrophobicContact CG-CE2 3.3Å; Q19-F23 HydrophobicContact CG-CZ 4.18Å; Q19-F23 VanDerWaalsContact O-CD2 3.25Å; Q19-F23 WeakPolarHBondContact O-CD2 3.25Å; Q19-F23 PolarHBondContact O-N 3.21Å; Q19-V48 HydrophobicContact CB-CG1 3.83Å; Q19-V48 PolarHBondContact NE2-O 2.99Å; Q19-D53 PolarHBondContact NE2-OD2 3.38Å
20N96.3Very high95.2Very high107 Ų10736.1 Ų36.157%0.57220%0.2SC*.Hα-helixtrans-62.6-43.6178.6-70.1-28.8000111.7E16 F23 S24E16-N20 WeakPolarHBondContact O-CB 3.48Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.02Å; E16-N20 PolarHBondContact O-ND2 2.73Å; N20-F23 PolarHBondContact O-N 3.44Å; N20-S24 PolarHBondContact O-N 3.23Å
21E96.8Very high95.3Very high38 Ų3836.8 Ų36.818%0.17821%0.208CC..Hα-helixtrans-63.6-44.9176.1-176.2176.8159.300111.6S17 Y18 F23 S24 Y25 F143 P144 R184S17-E21 PolarHBondContact O-N 3.18Å; Y18-E21 PolarHBondContact O-N 3.42Å; E21-F23 PolarHBondContact O-N 2.9Å; E21-S24 WeakPolarHBondContact O-CB 3.44Å; E21-S24 PolarHBondContact O-N 3.38Å; E21-S24 PolarHBondContact O-OG 3.31Å; E21-Y25 HydrophobicContact CG-CE2 3.88Å; E21-Y25 VanDerWaalsContact O-CD2 3.27Å; E21-Y25 WeakPolarHBondContact O-CD2 3.3Å; E21-Y25 PolarHBondContact O-N 3.37Å; E21-F143 HydrophobicContact CB-CE2 4.14Å; E21-F143 HydrophobicContact CG-CD2 4.17Å; E21-F143 HydrophobicContact CG-CE2 4.08Å; E21-P144 WeakPolarHBondContact OE1-CD 3.47Å; E21-R184 IonicContact OE2-CZ 2.97Å; E21-R184 VanDerWaalsContact OE2-CZ 3.28Å; E21-R184 IonicContact OE2-NH1 3.1Å; E21-R184 PolarHBondContact OE2-NH1 3.22Å; E21-R184 VanDerWaalsContact OE2-NH1 3.16Å; E21-R184 IonicContact OE2-NH2 2.67Å; E21-R184 PolarHBondContact OE2-NH2 3.27Å
22F97.2Very high95.4Very high0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-58.3-47.1176.4179.4-102.2000112.1Y18 Q19 S24 Y25 I26 W37 M45 V49 L54 I83 I115 F143Y18-F22 WeakPolarHBondContact O-CB 3.46Å; Y18-F22 PolarHBondContact O-N 3.07Å; Q19-F22 PolarHBondContact O-N 3.5Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.93Å; F22-Y25 WeakPolarHBondContact O-CB 3.4Å; F22-Y25 PolarHBondContact O-N 3.32Å; F22-Y25 VanDerWaalsContact O-N 3.12Å; F22-I26 HydrophobicContact CD1-CG1 4.07Å; F22-I26 HydrophobicContact CE1-CD1 4.07Å; F22-I26 HydrophobicContact CE1-CG1 3.58Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CE2-CG1 4.42Å; F22-I26 HydrophobicContact CZ-CD1 3.77Å; F22-I26 HydrophobicContact CZ-CG1 3.78Å; F22-I26 PolarHBondContact O-N 2.78Å; F22-W37 HydrophobicContact CZ-CH2 4.06Å; F22-M45 HydrophobicContact CD1-CE 4.2Å; F22-M45 HydrophobicContact CD2-CE 3.61Å; F22-M45 HydrophobicContact CE1-CE 4.05Å; F22-M45 HydrophobicContact CE2-CE 3.45Å; F22-M45 VanDerWaalsContact CE2-CE 3.45Å; F22-M45 HydrophobicContact CG-CE 3.98Å; F22-M45 HydrophobicContact CZ-CE 3.67Å; F22-V49 HydrophobicContact CD1-CG2 3.63Å; F22-V49 HydrophobicContact CE1-CG1 4.35Å; F22-V49 HydrophobicContact CE1-CG2 4.05Å; F22-V49 HydrophobicContact CG-CG2 4.25Å; F22-L54 HydrophobicContact CE1-CD2 3.99Å; F22-I83 HydrophobicContact CE2-CD1 3.74Å; F22-I83 HydrophobicContact CZ-CD1 3.53Å; F22-I115 HydrophobicContact CE2-CD1 4.29Å; F22-F143 HydrophobicContact CB-CE1 3.91Å; F22-F143 HydrophobicContact CB-CE2 4.07Å; F22-F143 HydrophobicContact CB-CZ 3.66Å; F22-F143 AromaticContact CD2-CD1 3.76Å; F22-F143 HydrophobicContact CD2-CD1 3.76Å; F22-F143 AromaticContact CD2-CE1 3.71Å; F22-F143 HydrophobicContact CD2-CE1 3.71Å; F22-F143 HydrophobicContact CD2-CG 4.4Å; F22-F143 HydrophobicContact CD2-CZ 4.33Å; F22-F143 HydrophobicContact CG-CE1 4.18Å; F22-F143 HydrophobicContact CG-CZ 4.42Å
23F97.4Very high95.6Very high12 Ų1238.9 Ų38.95%0.05322%0.221CC..Hα-helixtrans-65.9-29179-70.8-44000113Q19 N20 E21 Y25 I26 D27 V49 D53 L54 H57Q19-F23 HydrophobicContact CG-CD2 3.7Å; Q19-F23 HydrophobicContact CG-CE2 3.3Å; Q19-F23 HydrophobicContact CG-CZ 4.18Å; Q19-F23 VanDerWaalsContact O-CD2 3.25Å; Q19-F23 WeakPolarHBondContact O-CD2 3.25Å; Q19-F23 PolarHBondContact O-N 3.21Å; N20-F23 PolarHBondContact O-N 3.44Å; E21-F23 PolarHBondContact O-N 2.9Å; F23-Y25 VanDerWaalsContact C-N 3.28Å; F23-Y25 PolarHBondContact O-N 2.97Å; F23-I26 PolarHBondContact O-N 3.29Å; F23-I26 VanDerWaalsContact O-N 3.16Å; F23-D27 VanDerWaalsContact O-CB 3.32Å; F23-D27 WeakPolarHBondContact O-CB 3.34Å; F23-D27 VanDerWaalsContact O-CG 3.29Å; F23-D27 PolarHBondContact O-N 3.49Å; F23-V49 HydrophobicContact CE1-CG1 3.93Å; F23-V49 HydrophobicContact CZ-CG1 3.78Å; F23-V49 HydrophobicContact CZ-CG2 4.38Å; F23-D53 HydrophobicContact CE1-CB 4.5Å; F23-D53 HydrophobicContact CE2-CB 4.12Å; F23-D53 HydrophobicContact CZ-CB 3.56Å; F23-L54 HydrophobicContact CE1-CD2 4.17Å; F23-H57 HydrophobicContact CD1-CB 4.22Å; F23-H57 AromaticContact CD1-CD2 3.43Å; F23-H57 VanDerWaalsContact CD1-CD2 3.43Å; F23-H57 WeakPolarHBondContact CD1-CD2 3.37Å; F23-H57 AromaticContact CD1-CG 3.63Å; F23-H57 AromaticContact CD1-NE2 3.78Å; F23-H57 AromaticContact CD2-CD2 3.92Å; F23-H57 AromaticContact CD2-CE1 3.92Å; F23-H57 AromaticContact CD2-NE2 3.44Å; F23-H57 WeakPolarHBondContact CD2-NE2 3.43Å; F23-H57 AromaticContact CE1-CD2 3.55Å; F23-H57 AromaticContact CE2-CD2 3.99Å; F23-H57 AromaticContact CE2-NE2 3.76Å; F23-H57 AromaticContact CG-CD2 3.66Å; F23-H57 AromaticContact CG-CE1 3.62Å; F23-H57 AromaticContact CG-CG 3.97Å; F23-H57 AromaticContact CG-ND1 3.94Å; F23-H57 AromaticContact CG-NE2 3.47Å; F23-H57 WeakPolarHBondContact CG-NE2 3.42Å; F23-H57 AromaticContact CZ-CD2 3.84Å
24S96.9Very high95.6Very high65 Ų6537 Ų3746%0.45521%0.211SC..Hα-helixtrans-59.1-38.7171.683.10000112.6N20 E21 F22 A28N20-S24 PolarHBondContact O-N 3.23Å; E21-S24 WeakPolarHBondContact O-CB 3.44Å; E21-S24 PolarHBondContact O-N 3.38Å; E21-S24 PolarHBondContact O-OG 3.31Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.93Å; S24-A28 PolarHBondContact O-N 2.91Å
25Y96.5Very high95.7Very high47 Ų4737 Ų3718%0.18421%0.211CC..Hα-helixtrans-69.7-39.3174.9-65.8-63.2000112.4E21 F22 F23 Q29 M139 E142 F143E21-Y25 HydrophobicContact CG-CE2 3.88Å; E21-Y25 VanDerWaalsContact O-CD2 3.27Å; E21-Y25 WeakPolarHBondContact O-CD2 3.3Å; E21-Y25 PolarHBondContact O-N 3.37Å; F22-Y25 WeakPolarHBondContact O-CB 3.4Å; F22-Y25 PolarHBondContact O-N 3.32Å; F22-Y25 VanDerWaalsContact O-N 3.12Å; F23-Y25 VanDerWaalsContact C-N 3.28Å; F23-Y25 PolarHBondContact O-N 2.97Å; Y25-Q29 PolarHBondContact O-NE2 3.04Å; Y25-M139 HydrophobicContact CD1-CE 3.93Å; Y25-M139 HydrophobicContact CE1-CE 4.38Å; Y25-E142 PolarHBondContact OH-O 3.22Å; Y25-E142 VanDerWaalsContact OH-O 3.1Å; Y25-F143 HydrophobicContact CD2-CB 4.28Å; Y25-F143 HydrophobicContact CD2-CD2 4.27Å; Y25-F143 HydrophobicContact CD2-CG 4.47Å; Y25-F143 HydrophobicContact CE2-CB 4Å; Y25-F143 AromaticContact CE2-CD2 3.85Å; Y25-F143 HydrophobicContact CE2-CD2 3.85Å; Y25-F143 HydrophobicContact CE2-CG 4.27Å
26I96.6Very high95.8Very high0 Ų035.3 Ų35.30%021%0.205CC..Hα-helixtrans-66.3-45.2177.8-63.4-59.6000110.2F22 F23 A28 Q29 K33 I35 H57 V59 V81 I115F22-I26 HydrophobicContact CD1-CG1 4.07Å; F22-I26 HydrophobicContact CE1-CD1 4.07Å; F22-I26 HydrophobicContact CE1-CG1 3.58Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CE2-CG1 4.42Å; F22-I26 HydrophobicContact CZ-CD1 3.77Å; F22-I26 HydrophobicContact CZ-CG1 3.78Å; F22-I26 PolarHBondContact O-N 2.78Å; F23-I26 PolarHBondContact O-N 3.29Å; F23-I26 VanDerWaalsContact O-N 3.16Å; I26-A28 VanDerWaalsContact C-N 3.27Å; I26-A28 PolarHBondContact O-N 2.85Å; I26-Q29 WeakPolarHBondContact O-CB 3.27Å; I26-Q29 PolarHBondContact O-N 3.39Å; I26-K33 HydrophobicContact CG2-CD 3.88Å; I26-K33 WeakPolarHBondContact O-CE 3.47Å; I26-K33 PolarHBondContact O-NZ 3.47Å; I26-I35 HydrophobicContact CD1-CD1 4Å; I26-H57 HydrophobicContact CG2-CB 4.03Å; I26-V59 HydrophobicContact CG2-CG2 4.03Å; I26-V81 HydrophobicContact CD1-CG1 4.39Å; I26-I115 HydrophobicContact CD1-CD1 3.82Å
27D96.7Very high95.8Very high84 Ų8432 Ų3245%0.44919%0.189SC..Hα-helixtrans-68.3-24.2-178.1-70.9-20.9000113.4F23 Q29 K33 H57F23-D27 VanDerWaalsContact O-CB 3.32Å; F23-D27 WeakPolarHBondContact O-CB 3.34Å; F23-D27 VanDerWaalsContact O-CG 3.29Å; F23-D27 PolarHBondContact O-N 3.49Å; D27-Q29 PolarHBondContact O-N 3.41Å; D27-K33 IonicContact OD1-NZ 3.76Å; D27-K33 PolarHBondContact OD1-NZ 3.24Å; D27-H57 VanDerWaalsContact CG-ND1 3.28Å; D27-H57 IonicContact OD1-CG 3.49Å; D27-H57 IonicContact OD1-ND1 3.2Å; D27-H57 PolarHBondContact OD1-ND1 2.96Å; D27-H57 IonicContact OD2-CE1 3.87Å; D27-H57 PolarHBondContact OD2-CE1 3.09Å; D27-H57 IonicContact OD2-ND1 3.78Å; D27-H57 PolarHBondContact OD2-ND1 3.16Å
28A95.9Very high95.7Very high66 Ų6631.1 Ų31.155%0.54518%0.181SC..THydrogen-bonded Turntrans-65.1-15.3169.100000113.9S24 I26 M139S24-A28 PolarHBondContact O-N 2.91Å; I26-A28 VanDerWaalsContact C-N 3.27Å; I26-A28 PolarHBondContact O-N 2.85Å; A28-M139 HydrophobicContact CB-SD 4.47Å
29Q94.1Very high95.3Very high11 Ų1138 Ų385%0.05121%0.211CC..SBendtrans-95146.8-179.1-46.2-55.1-51.800112.6Y25 I26 D27 K33 V81 S113 M139Y25-Q29 PolarHBondContact O-NE2 3.04Å; I26-Q29 WeakPolarHBondContact O-CB 3.27Å; I26-Q29 PolarHBondContact O-N 3.39Å; D27-Q29 PolarHBondContact O-N 3.41Å; Q29-K33 HydrophobicContact CB-CD 4.26Å; Q29-K33 WeakPolarHBondContact O-CE 3.46Å; Q29-K33 PolarHBondContact O-NZ 3.4Å; Q29-V81 HydrophobicContact CB-CG2 4.39Å; Q29-V81 HydrophobicContact CG-CG2 3.9Å; Q29-S113 PolarHBondContact OE1-OG 3.44Å; Q29-M139 PolarHBondContact NE2-SD 3.45Å
30P93.9Very high95Very high43 Ų4341 Ų4128%0.27923%0.228SC..PPolyproline II helixtrans-67.3130.9179.1-21.932.2000114.7K33 K78 S79P30-K33 WeakPolarHBondContact O-CG 3.41Å; P30-K78 HydrophobicContact CB-CB 4.27Å; P30-S79 WeakPolarHBondContact O-CB 3.41Å; P30-S79 PolarHBondContact O-OG 2.94Å
31S93.4Very high94.8Very high59 Ų5936.2 Ų36.241%0.41320%0.203SC..SBendtrans-82.8147173.3-61.20000113.6K33 K78S31-K33 WeakPolarHBondContact OG-CE 3.42Å; S31-K78 WeakPolarHBondContact O-CD 3.14Å
32P95Very high94.5Very high45 Ų4538 Ų3829%0.29221%0.213SC..SBendcis-78.8146.6-1.631.6-36.6000113.1M60 A76 C77 K78 S79P32-M60 HydrophobicContact CB-CE 4.22Å; P32-M60 HydrophobicContact CG-CE 4.43Å; P32-A76 WeakPolarHBondContact CG-O 3.25Å; P32-C77 WeakPolarHBondContact O-CA 3.44Å; P32-K78 PolarHBondContact O-N 3.1Å; P32-S79 PolarHBondContact O-N 3.03Å
33K94.8Very high94Very high4 Ų439.1 Ų39.12%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-112.8151-170-39173-166.7177.20110.6I26 D27 Q29 P30 S31 H57 G58 V59 M60 S79I26-K33 HydrophobicContact CG2-CD 3.88Å; I26-K33 WeakPolarHBondContact O-CE 3.47Å; I26-K33 PolarHBondContact O-NZ 3.47Å; D27-K33 IonicContact OD1-NZ 3.76Å; D27-K33 PolarHBondContact OD1-NZ 3.24Å; Q29-K33 HydrophobicContact CB-CD 4.26Å; Q29-K33 WeakPolarHBondContact O-CE 3.46Å; Q29-K33 PolarHBondContact O-NZ 3.4Å; P30-K33 WeakPolarHBondContact O-CG 3.41Å; S31-K33 WeakPolarHBondContact OG-CE 3.42Å; K33-H57 WeakPolarHBondContact CE-O 3.35Å; K33-H57 PolarHBondContact NZ-O 3.46Å; K33-G58 PolarHBondContact N-O 3.2Å; K33-V59 HydrophobicContact CB-CG2 4.48Å; K33-M60 PolarHBondContact O-N 3.35Å; K33-S79 WeakPolarHBondContact CB-OG 3.49Å; K33-S79 WeakPolarHBondContact CG-OG 3.48Å
34V95Very high93.7Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-126.7138.9169.3170.20000109.3Y36 M60 N61 F63 P74 C77 S79 V80 V81V34-Y36 HydrophobicContact CG1-CD2 4.18Å; V34-Y36 HydrophobicContact CG1-CE2 3.67Å; V34-M60 HydrophobicContact CG2-CE 4.01Å; V34-N61 WeakPolarHBondContact CA-O 3.41Å; V34-N61 HydrophobicContact CG2-CB 4.47Å; V34-F63 HydrophobicContact CG1-CD2 3.52Å; V34-F63 HydrophobicContact CG1-CE2 3.52Å; V34-P74 HydrophobicContact CG2-CG 4.12Å; V34-C77 HydrophobicContact CB-CB 4.27Å; V34-C77 HydrophobicContact CG2-CB 3.56Å; V34-S79 PolarHBondContact N-O 3.32Å; V34-V80 WeakPolarHBondContact O-CA 3.24Å; V34-V81 PolarHBondContact O-N 3.42Å
35I95.8Very high93.5Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-110.8134.9179.3-60.7178.6000110.7I26 W37 L54 V59 N61 S62 F63 V81 I83I26-I35 HydrophobicContact CD1-CD1 4Å; I35-W37 HydrophobicContact CB-CZ2 4.48Å; I35-W37 HydrophobicContact CD1-CZ2 4.07Å; I35-W37 HydrophobicContact CG2-CD2 3.86Å; I35-W37 VanDerWaalsContact CG2-CE2 3.4Å; I35-W37 HydrophobicContact CG2-CG 4.14Å; I35-W37 HydrophobicContact CG2-CH2 4.45Å; I35-W37 HydrophobicContact CG2-CZ2 3.75Å; I35-L54 HydrophobicContact CD1-CD2 3.82Å; I35-V59 HydrophobicContact CD1-CB 4.44Å; I35-V59 HydrophobicContact CD1-CG1 3.86Å; I35-V59 HydrophobicContact CD1-CG2 3.7Å; I35-V59 HydrophobicContact CG1-CG1 3.87Å; I35-V59 HydrophobicContact CG1-CG2 4.22Å; I35-N61 PolarHBondContact N-O 2.91Å; I35-N61 VanDerWaalsContact N-O 3.11Å; I35-S62 CarbonylContact O-C 3.51Å; I35-S62 VanDerWaalsContact O-CA 3.32Å; I35-S62 WeakPolarHBondContact O-CA 3.26Å; I35-F63 PolarHBondContact O-N 2.84Å; I35-V81 CarbonylContact C-O 3.55Å; I35-V81 WeakPolarHBondContact CA-O 3.28Å; I35-V81 HydrophobicContact CG1-CB 4.35Å; I35-I83 HydrophobicContact CD1-CD1 4.29Å; I35-I83 HydrophobicContact CG2-CD1 3.49Å; I35-I83 VanDerWaalsContact CG2-CD1 3.49Å; I35-I83 HydrophobicContact CG2-CG1 3.96Å
36Y95.2Very high93.2Very high4 Ų437.4 Ų37.42%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-110.7118.4167.4-73.3-94.6000109.8V34 F63 C72 S73 V80 V81 F82 I83 F97V34-Y36 HydrophobicContact CG1-CD2 4.18Å; V34-Y36 HydrophobicContact CG1-CE2 3.67Å; Y36-F63 CarbonylContact C-O 3.53Å; Y36-F63 WeakPolarHBondContact CA-O 3.45Å; Y36-F63 HydrophobicContact CD1-CB 3.74Å; Y36-F63 HydrophobicContact CE1-CB 3.62Å; Y36-F63 HydrophobicContact CE1-CD2 4.06Å; Y36-F63 HydrophobicContact CE1-CG 4.12Å; Y36-F63 HydrophobicContact CE2-CD2 4.28Å; Y36-F63 HydrophobicContact CG-CB 4.48Å; Y36-F63 AromaticContact CZ-CD2 3.83Å; Y36-C72 PolarHBondContact OH-O 2.8Å; Y36-S73 WeakPolarHBondContact OH-CA 3.33Å; Y36-V80 HydrophobicContact CD2-CG1 3.69Å; Y36-V80 HydrophobicContact CE2-CG1 3.76Å; Y36-V81 PolarHBondContact N-O 2.99Å; Y36-F82 HydrophobicContact CD2-CE1 4.19Å; Y36-F82 HydrophobicContact CG-CD1 4.36Å; Y36-F82 HydrophobicContact CG-CE1 4.21Å; Y36-I83 PolarHBondContact O-N 3.27Å; Y36-F97 HydrophobicContact CD1-CE2 4.32Å; Y36-F97 HydrophobicContact CD2-CZ 4.43Å; Y36-F97 HydrophobicContact CE1-CD2 4.38Å; Y36-F97 AromaticContact CE1-CE2 3.59Å; Y36-F97 HydrophobicContact CE1-CE2 3.59Å; Y36-F97 AromaticContact CE1-CZ 3.95Å; Y36-F97 HydrophobicContact CE1-CZ 3.95Å; Y36-F97 HydrophobicContact CE2-CE1 4.32Å; Y36-F97 HydrophobicContact CE2-CE2 4.21Å; Y36-F97 AromaticContact CE2-CZ 3.68Å; Y36-F97 HydrophobicContact CE2-CZ 3.68Å; Y36-F97 AromaticContact CZ-CE2 3.53Å; Y36-F97 AromaticContact CZ-CZ 3.4Å; Y36-F97 VanDerWaalsContact CZ-CZ 3.4Å; Y36-F97 WeakPolarHBondContact OH-CZ 3.33Å
37W94.6Very high92.8Very high17 Ų1739 Ų396%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-96.6135.8-177.2-58.791.4000111.2F22 I35 L42 M45 L54 S62 F63 L64 L65 I83F22-W37 HydrophobicContact CZ-CH2 4.06Å; I35-W37 HydrophobicContact CB-CZ2 4.48Å; I35-W37 HydrophobicContact CD1-CZ2 4.07Å; I35-W37 HydrophobicContact CG2-CD2 3.86Å; I35-W37 VanDerWaalsContact CG2-CE2 3.4Å; I35-W37 HydrophobicContact CG2-CG 4.14Å; I35-W37 HydrophobicContact CG2-CH2 4.45Å; I35-W37 HydrophobicContact CG2-CZ2 3.75Å; W37-L42 HydrophobicContact CB-CD2 3.57Å; W37-L42 HydrophobicContact CB-CG 4.04Å; W37-L42 HydrophobicContact CD2-CD2 4.01Å; W37-L42 HydrophobicContact CE3-CD2 4.48Å; W37-L42 HydrophobicContact CG-CD2 3.6Å; W37-M45 HydrophobicContact CE3-CB 4.29Å; W37-M45 HydrophobicContact CE3-CG 4.27Å; W37-M45 HydrophobicContact CH2-CB 4.28Å; W37-M45 HydrophobicContact CH2-CE 4.12Å; W37-M45 HydrophobicContact CZ3-CB 3.62Å; W37-M45 HydrophobicContact CZ3-CE 3.95Å; W37-M45 HydrophobicContact CZ3-CG 3.62Å; W37-M45 HydrophobicContact CZ3-SD 4.47Å; W37-L54 HydrophobicContact CZ2-CD1 3.8Å; W37-L54 HydrophobicContact CZ2-CD2 4.49Å; W37-S62 VanDerWaalsContact NE1-CB 3.31Å; W37-S62 PolarHBondContact NE1-OG 3.42Å; W37-S62 VanDerWaalsContact NE1-OG 3.1Å; W37-F63 PolarHBondContact N-O 2.91Å; W37-L64 WeakPolarHBondContact O-CD1 3.49Å; W37-L65 WeakPolarHBondContact O-CB 3.16Å; W37-L65 PolarHBondContact O-N 3.14Å; W37-I83 HydrophobicContact CD2-CD1 4.26Å; W37-I83 HydrophobicContact CE3-CB 3.92Å; W37-I83 HydrophobicContact CE3-CD1 3.74Å; W37-I83 HydrophobicContact CE3-CG1 4.42Å; W37-I83 HydrophobicContact CE3-CG2 3.88Å; W37-I83 HydrophobicContact CH2-CD1 3.4Å; W37-I83 HydrophobicContact CZ2-CD1 3.94Å; W37-I83 HydrophobicContact CZ3-CB 4.15Å; W37-I83 HydrophobicContact CZ3-CD1 3.27Å; W37-I83 HydrophobicContact CZ3-CG1 4.3Å; W37-I83 HydrophobicContact CZ3-CG2 3.87Å
38E93.2Very high92.5Very high10 Ų1035.2 Ų35.25%0.04721%0.207CC..  trans-69.3144.8159.9-173.5-77.8132.700110.1D40 L41 I83 I84 I90E38-D40 VanDerWaalsContact CD-N 3.25Å; E38-D40 PolarHBondContact O-N 3.4Å; E38-D40 VanDerWaalsContact OE1-CB 3.32Å; E38-D40 WeakPolarHBondContact OE1-CB 3.35Å; E38-D40 PolarHBondContact OE1-N 3.05Å; E38-D40 PolarHBondContact OE2-N 2.94Å; E38-L41 HydrophobicContact CB-CD1 4.36Å; E38-L41 PolarHBondContact O-N 2.86Å; E38-L41 VanDerWaalsContact OE2-CG 3.31Å; E38-L41 WeakPolarHBondContact OE2-CG 3.23Å; E38-L41 PolarHBondContact OE2-N 3.23Å; E38-I83 WeakPolarHBondContact CB-O 3.32Å; E38-I83 PolarHBondContact N-O 3.39Å; E38-I84 HydrophobicContact CB-CG2 4.44Å; E38-I90 HydrophobicContact CB-CG2 4.49Å; E38-I90 HydrophobicContact CG-CD1 3.99Å; E38-I90 HydrophobicContact CG-CG1 4.19Å; E38-I90 HydrophobicContact CG-CG2 4.04Å
39K90.1Very high92.3Very high149 Ų14932.6 Ų32.665%0.64819%0.185SC*.THydrogen-bonded Turntrans-62.7-46.6-169.3-174.3-176.7174.7-176.20112.4L41 L42 L64K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 3.1Å; K39-L42 PolarHBondContact O-N 3.14Å; K39-L64 HydrophobicContact CB-CD1 3.84Å; K39-L64 HydrophobicContact CG-CD1 4.35Å
40D89Confident92.1Very high99 Ų9934.3 Ų34.353%0.52919%0.194SC..THydrogen-bonded Turntrans-70.9-27.1-174-60.6-18.7000111.5E38 K87E38-D40 VanDerWaalsContact CD-N 3.25Å; E38-D40 PolarHBondContact O-N 3.4Å; E38-D40 VanDerWaalsContact OE1-CB 3.32Å; E38-D40 WeakPolarHBondContact OE1-CB 3.35Å; E38-D40 PolarHBondContact OE1-N 3.05Å; E38-D40 PolarHBondContact OE2-N 2.94Å; D40-K87 IonicContact OD2-NZ 3.89Å
41L92.1Very high91.8Very high8 Ų837.8 Ų37.84%0.04221%0.21CC..Hα-helixtrans-75-19.3175.7-74.9-179.2000115E38 K39 A43 H44 M45 I83 N85 I117E38-L41 HydrophobicContact CB-CD1 4.36Å; E38-L41 PolarHBondContact O-N 2.86Å; E38-L41 VanDerWaalsContact OE2-CG 3.31Å; E38-L41 WeakPolarHBondContact OE2-CG 3.23Å; E38-L41 PolarHBondContact OE2-N 3.23Å; K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 3.1Å; L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.44Å; L41-H44 PolarHBondContact O-N 3.3Å; L41-M45 WeakPolarHBondContact O-CB 3.03Å; L41-M45 WeakPolarHBondContact O-CG 3.34Å; L41-M45 PolarHBondContact O-N 2.85Å; L41-I83 HydrophobicContact CD1-CG2 4Å; L41-N85 HydrophobicContact CD1-CB 4.45Å; L41-N85 VanDerWaalsContact CD1-N 3.32Å; L41-N85 HydrophobicContact CG-CB 4.4Å; L41-I117 HydrophobicContact CD1-CB 4.03Å; L41-I117 HydrophobicContact CD1-CD1 4.18Å; L41-I117 HydrophobicContact CD1-CG1 4.35Å; L41-I117 HydrophobicContact CD2-CB 3.99Å; L41-I117 HydrophobicContact CD2-CD1 4.49Å; L41-I117 HydrophobicContact CD2-CG2 3.9Å
42L90.4Very high91.7Very high74 Ų7438.4 Ų38.439%0.38722%0.215SC..Hα-helixtrans-58.3-42.5-176.2-78.8171.7000112.5W37 K39 S46 L64W37-L42 HydrophobicContact CB-CD2 3.57Å; W37-L42 HydrophobicContact CB-CG 4.04Å; W37-L42 HydrophobicContact CD2-CD2 4.01Å; W37-L42 HydrophobicContact CE3-CD2 4.48Å; W37-L42 HydrophobicContact CG-CD2 3.6Å; K39-L42 PolarHBondContact O-N 3.14Å; L42-S46 VanDerWaalsContact O-CB 3.26Å; L42-S46 WeakPolarHBondContact O-CB 3.34Å; L42-S46 PolarHBondContact O-N 3.45Å; L42-S46 PolarHBondContact O-OG 2.79Å; L42-L64 HydrophobicContact CD1-CD1 3.84Å
43A87.7Confident91.6Very high24 Ų2437.4 Ų37.420%0.19821%0.207CC..Hα-helixtrans-66.9-45179.400000111L41 M45 S46 F270L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.44Å; A43-M45 PolarHBondContact O-N 3.08Å; A43-S46 PolarHBondContact O-N 2.96Å; A43-S46 PolarHBondContact O-OG 3.24Å; A43-F270 HydrophobicContact CB-CD2 3.43Å; A43-F270 VanDerWaalsContact CB-CD2 3.43Å; A43-F270 HydrophobicContact CB-CE2 3.84Å; A43-F270 HydrophobicContact CB-CG 4.19Å
44H90.9Very high91.6Very high20 Ų2037.4 Ų37.49%0.09321%0.207CC..Hα-helixtrans-61.6-45.7177.9-163.5177.9000112.1L41 S46 S47 L145 V148 F270L41-H44 PolarHBondContact O-N 3.3Å; H44-S46 VanDerWaalsContact C-N 3.33Å; H44-S46 PolarHBondContact O-N 3.49Å; H44-S47 PolarHBondContact O-N 3.49Å; H44-S47 PolarHBondContact O-OG 3.12Å; H44-L145 PolarHBondContact CE1-O 3.36Å; H44-L145 WeakPolarHBondContact NE2-CG 3.47Å; H44-V148 WeakPolarHBondContact NE2-CG1 3.38Å; H44-F270 VanDerWaalsContact CA-CE1 3.47Å; H44-F270 HydrophobicContact CB-CE1 3.71Å; H44-F270 HydrophobicContact CB-CE2 4.22Å; H44-F270 HydrophobicContact CB-CZ 3.48Å; H44-F270 VanDerWaalsContact CB-CZ 3.48Å; H44-F270 AromaticContact CD2-CE1 3.42Å; H44-F270 VanDerWaalsContact CD2-CE1 3.42Å; H44-F270 WeakPolarHBondContact CD2-CE1 3.43Å; H44-F270 AromaticContact CD2-CZ 3.99Å; H44-F270 AromaticContact CG-CE1 3.65Å; H44-F270 AromaticContact CG-CZ 3.72Å
45M92.7Very high91.5Very high4 Ų444.5 Ų44.52%0.0224%0.238CC..Hα-helixtrans-72.1-28.9-179.3-71.9-66.2-5100112.4F22 W37 L41 A43 S47 V48 V49 I117 F143 L145F22-M45 HydrophobicContact CD1-CE 4.2Å; F22-M45 HydrophobicContact CD2-CE 3.61Å; F22-M45 HydrophobicContact CE1-CE 4.05Å; F22-M45 HydrophobicContact CE2-CE 3.45Å; F22-M45 VanDerWaalsContact CE2-CE 3.45Å; F22-M45 HydrophobicContact CG-CE 3.98Å; F22-M45 HydrophobicContact CZ-CE 3.67Å; W37-M45 HydrophobicContact CE3-CB 4.29Å; W37-M45 HydrophobicContact CE3-CG 4.27Å; W37-M45 HydrophobicContact CH2-CB 4.28Å; W37-M45 HydrophobicContact CH2-CE 4.12Å; W37-M45 HydrophobicContact CZ3-CB 3.62Å; W37-M45 HydrophobicContact CZ3-CE 3.95Å; W37-M45 HydrophobicContact CZ3-CG 3.62Å; W37-M45 HydrophobicContact CZ3-SD 4.47Å; L41-M45 WeakPolarHBondContact O-CB 3.03Å; L41-M45 WeakPolarHBondContact O-CG 3.34Å; L41-M45 PolarHBondContact O-N 2.85Å; A43-M45 PolarHBondContact O-N 3.08Å; M45-S47 PolarHBondContact O-N 2.65Å; M45-V48 PolarHBondContact O-N 3.34Å; M45-V48 VanDerWaalsContact O-N 3.11Å; M45-V49 HydrophobicContact CE-CG2 4.03Å; M45-V49 PolarHBondContact O-N 3.48Å; M45-I117 HydrophobicContact CG-CD1 4.02Å; M45-I117 HydrophobicContact SD-CD1 3.35Å; M45-I117 WeakPolarHBondContact SD-CD1 3.5Å; M45-F143 HydrophobicContact CE-CE1 4.28Å; M45-F143 HydrophobicContact SD-CE1 4.08Å; M45-L145 HydrophobicContact SD-CD2 3.56Å; M45-L145 VanDerWaalsContact SD-CD2 3.56Å
46S90Very high91.5Very high65 Ų6552 Ų5246%0.45527%0.271SS..Hα-helixtrans-67.4-17.617673.70000114.2L42 A43 H44 V48L42-S46 VanDerWaalsContact O-CB 3.26Å; L42-S46 WeakPolarHBondContact O-CB 3.34Å; L42-S46 PolarHBondContact O-N 3.45Å; L42-S46 PolarHBondContact O-OG 2.79Å; A43-S46 PolarHBondContact O-N 2.96Å; A43-S46 PolarHBondContact O-OG 3.24Å; H44-S46 VanDerWaalsContact C-N 3.33Å; H44-S46 PolarHBondContact O-N 3.49Å; S46-V48 VanDerWaalsContact C-N 3.31Å
47S87.8Confident91.5Very high32 Ų3254.1 Ų54.122%0.22428%0.28CS..THydrogen-bonded Turntrans-77.3-18.5173.273.40000112.8R15 H44 M45R15-S47 WeakPolarHBondContact CD-O 3.46Å; H44-S47 PolarHBondContact O-N 3.49Å; H44-S47 PolarHBondContact O-OG 3.12Å; M45-S47 PolarHBondContact O-N 2.65Å
48V90.9Very high91.5Very high6 Ų654.4 Ų54.44%0.03629%0.289CS..THydrogen-bonded Turntrans-111.9-37.3-176.8-175.10000112.4R15 Q19 M45 S46 L145 V148R15-V48 HydrophobicContact CG-CG1 4.49Å; Q19-V48 HydrophobicContact CB-CG1 3.83Å; Q19-V48 PolarHBondContact NE2-O 2.99Å; M45-V48 PolarHBondContact O-N 3.34Å; M45-V48 VanDerWaalsContact O-N 3.11Å; S46-V48 VanDerWaalsContact C-N 3.31Å; V48-L145 HydrophobicContact CG2-CD1 3.75Å; V48-L145 HydrophobicContact CG2-CD2 4.31Å; V48-V148 HydrophobicContact CG2-CG1 3.98Å
49V92.5Very high91.7Very high11 Ų1154.2 Ų54.27%0.06729%0.288CS..  trans-130.7135-170.3-178.50000110.5F22 F23 M45 L54F22-V49 HydrophobicContact CD1-CG2 3.63Å; F22-V49 HydrophobicContact CE1-CG1 4.35Å; F22-V49 HydrophobicContact CE1-CG2 4.05Å; F22-V49 HydrophobicContact CG-CG2 4.25Å; F23-V49 HydrophobicContact CE1-CG1 3.93Å; F23-V49 HydrophobicContact CZ-CG1 3.78Å; F23-V49 HydrophobicContact CZ-CG2 4.38Å; M45-V49 HydrophobicContact CE-CG2 4.03Å; M45-V49 PolarHBondContact O-N 3.48Å; V49-L54 HydrophobicContact CG1-CD1 4.26Å; V49-L54 HydrophobicContact CG1-CD2 3.75Å; V49-L54 HydrophobicContact CG1-CG 3.69Å
50N88.8Confident91.8Very high47 Ų4750.5 Ų50.525%0.25127%0.274SS..  trans-108.6162.7173.767.950.5000112S52 D53 L54N50-S52 VanDerWaalsContact C-N 3.29Å; N50-S52 PolarHBondContact O-N 3.43Å; N50-S52 PolarHBondContact OD1-N 3.15Å; N50-S52 VanDerWaalsContact OD1-N 3.12Å; N50-S52 PolarHBondContact OD1-OG 3.25Å; N50-D53 PolarHBondContact ND2-OD2 3.22Å; N50-D53 PolarHBondContact O-N 3.26Å; N50-D53 WeakPolarHBondContact OD1-CB 2.99Å; N50-D53 PolarHBondContact OD1-N 2.8Å; N50-D53 PolarHBondContact OD1-OD2 3.48Å; N50-L54 PolarHBondContact O-N 2.84Å
51N88.1Confident91.9Very high116 Ų11649.2 Ų49.262%0.6227%0.267SS*.Hα-helixtrans-65.8-28.2-178.5-73.6-38.1000113.8K55N51-K55 PolarHBondContact O-N 2.93Å
52S90.9Very high91.9Very high72 Ų7250.8 Ų50.850%0.50328%0.279SS..Hα-helixtrans-68.3-36.7176.834.10000112N50N50-S52 VanDerWaalsContact C-N 3.29Å; N50-S52 PolarHBondContact O-N 3.43Å; N50-S52 PolarHBondContact OD1-N 3.15Å; N50-S52 VanDerWaalsContact OD1-N 3.12Å; N50-S52 PolarHBondContact OD1-OG 3.25Å
53D92.6Very high92Very high24 Ų2451 Ų5113%0.12828%0.277CS..Hα-helixtrans-75-41.2-179.5-63.3-29.3000110.7Q19 F23 N50 K55 K56 H57Q19-D53 PolarHBondContact NE2-OD2 3.38Å; F23-D53 HydrophobicContact CE1-CB 4.5Å; F23-D53 HydrophobicContact CE2-CB 4.12Å; F23-D53 HydrophobicContact CZ-CB 3.56Å; N50-D53 PolarHBondContact ND2-OD2 3.22Å; N50-D53 PolarHBondContact O-N 3.26Å; N50-D53 WeakPolarHBondContact OD1-CB 2.99Å; N50-D53 PolarHBondContact OD1-N 2.8Å; N50-D53 PolarHBondContact OD1-OD2 3.48Å; D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.15Å; D53-K56 WeakPolarHBondContact O-CA 3.23Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.1Å; D53-K56 IonicContact OD1-NZ 2.79Å; D53-K56 PolarHBondContact OD1-NZ 2.82Å; D53-H57 PolarHBondContact O-CD2 2.79Å; D53-H57 VanDerWaalsContact O-CD2 3.28Å; D53-H57 PolarHBondContact O-N 3.27Å
54L94.7Very high92.2Very high4 Ų452.7 Ų52.72%0.02128%0.282CS..Hα-helixtrans-51.8-41.3173.7-70.2171000112.9F22 F23 I35 W37 V49 N50 K56 H57 V59F22-L54 HydrophobicContact CE1-CD2 3.99Å; F23-L54 HydrophobicContact CE1-CD2 4.17Å; I35-L54 HydrophobicContact CD1-CD2 3.82Å; W37-L54 HydrophobicContact CZ2-CD1 3.8Å; W37-L54 HydrophobicContact CZ2-CD2 4.49Å; V49-L54 HydrophobicContact CG1-CD1 4.26Å; V49-L54 HydrophobicContact CG1-CD2 3.75Å; V49-L54 HydrophobicContact CG1-CG 3.69Å; N50-L54 PolarHBondContact O-N 2.84Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.48Å; L54-H57 CarbonylContact O-C 3.59Å; L54-H57 PolarHBondContact O-N 2.93Å; L54-H57 VanDerWaalsContact O-N 3.14Å; L54-V59 HydrophobicContact CB-CB 4Å; L54-V59 HydrophobicContact CB-CG1 4.41Å; L54-V59 HydrophobicContact CB-CG2 4.15Å; L54-V59 HydrophobicContact CD2-CG2 4.2Å; L54-V59 VanDerWaalsContact O-CB 3.23Å; L54-V59 WeakPolarHBondContact O-CB 3.37Å; L54-V59 WeakPolarHBondContact O-CG2 3.48Å; L54-V59 PolarHBondContact O-N 3.4Å; L54-V59 VanDerWaalsContact O-N 3.1Å
55K94.6Very high92.1Very high149 Ų14952.7 Ų52.765%0.64828%0.283SS*.Hα-helixtrans-62.8-36.9177.4-71.8179.1-179.9-177.30112.7N51 D53 H57 G58N51-K55 PolarHBondContact O-N 2.93Å; D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.15Å; K55-H57 PolarHBondContact O-N 2.86Å; K55-G58 PolarHBondContact O-N 3.43Å
56K94.8Very high91.6Very high158 Ų15857.4 Ų57.469%0.68731%0.305SS*.Hα-helixtrans-64-32.2175.9-60.4171.6-171160.20111.5D53 L54 G58D53-K56 WeakPolarHBondContact O-CA 3.23Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.1Å; D53-K56 IonicContact OD1-NZ 2.79Å; D53-K56 PolarHBondContact OD1-NZ 2.82Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.48Å; K56-G58 VanDerWaalsContact C-N 3.28Å; K56-G58 PolarHBondContact O-N 3.32Å
57H95.8Very high90.6Very high47 Ų4757.9 Ų57.922%0.21831%0.308CS..THydrogen-bonded Turntrans-88.119.7177.2-68.4-86.3000113.9F23 I26 D27 K33 D53 L54 K55 V59F23-H57 HydrophobicContact CD1-CB 4.22Å; F23-H57 AromaticContact CD1-CD2 3.43Å; F23-H57 VanDerWaalsContact CD1-CD2 3.43Å; F23-H57 WeakPolarHBondContact CD1-CD2 3.37Å; F23-H57 AromaticContact CD1-CG 3.63Å; F23-H57 AromaticContact CD1-NE2 3.78Å; F23-H57 AromaticContact CD2-CD2 3.92Å; F23-H57 AromaticContact CD2-CE1 3.92Å; F23-H57 AromaticContact CD2-NE2 3.44Å; F23-H57 WeakPolarHBondContact CD2-NE2 3.43Å; F23-H57 AromaticContact CE1-CD2 3.55Å; F23-H57 AromaticContact CE2-CD2 3.99Å; F23-H57 AromaticContact CE2-NE2 3.76Å; F23-H57 AromaticContact CG-CD2 3.66Å; F23-H57 AromaticContact CG-CE1 3.62Å; F23-H57 AromaticContact CG-CG 3.97Å; F23-H57 AromaticContact CG-ND1 3.94Å; F23-H57 AromaticContact CG-NE2 3.47Å; F23-H57 WeakPolarHBondContact CG-NE2 3.42Å; F23-H57 AromaticContact CZ-CD2 3.84Å; I26-H57 HydrophobicContact CG2-CB 4.03Å; D27-H57 VanDerWaalsContact CG-ND1 3.28Å; D27-H57 IonicContact OD1-CG 3.49Å; D27-H57 IonicContact OD1-ND1 3.2Å; D27-H57 PolarHBondContact OD1-ND1 2.96Å; D27-H57 IonicContact OD2-CE1 3.87Å; D27-H57 PolarHBondContact OD2-CE1 3.09Å; D27-H57 IonicContact OD2-ND1 3.78Å; D27-H57 PolarHBondContact OD2-ND1 3.16Å; K33-H57 WeakPolarHBondContact CE-O 3.35Å; K33-H57 PolarHBondContact NZ-O 3.46Å; D53-H57 PolarHBondContact O-CD2 2.79Å; D53-H57 VanDerWaalsContact O-CD2 3.28Å; D53-H57 PolarHBondContact O-N 3.27Å; L54-H57 CarbonylContact O-C 3.59Å; L54-H57 PolarHBondContact O-N 2.93Å; L54-H57 VanDerWaalsContact O-N 3.14Å; K55-H57 PolarHBondContact O-N 2.86Å; H57-V59 PolarHBondContact O-N 2.95Å
58G94.8Very high89.5Confident23 Ų2359 Ų5924%0.23732%0.319CS..THydrogen-bonded Turntrans80.112173.300000115.5K33 K55 K56 M60K33-G58 PolarHBondContact N-O 3.2Å; K55-G58 PolarHBondContact O-N 3.43Å; K56-G58 VanDerWaalsContact C-N 3.28Å; K56-G58 PolarHBondContact O-N 3.32Å; G58-M60 PolarHBondContact O-N 2.95Å
59V95.5Very high88Confident7 Ų767.2 Ų67.24%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-79.8116173.8-1760000109.6I26 K33 I35 L54 H57 N61I26-V59 HydrophobicContact CG2-CG2 4.03Å; K33-V59 HydrophobicContact CB-CG2 4.48Å; I35-V59 HydrophobicContact CD1-CB 4.44Å; I35-V59 HydrophobicContact CD1-CG1 3.86Å; I35-V59 HydrophobicContact CD1-CG2 3.7Å; I35-V59 HydrophobicContact CG1-CG1 3.87Å; I35-V59 HydrophobicContact CG1-CG2 4.22Å; L54-V59 HydrophobicContact CB-CB 4Å; L54-V59 HydrophobicContact CB-CG1 4.41Å; L54-V59 HydrophobicContact CB-CG2 4.15Å; L54-V59 HydrophobicContact CD2-CG2 4.2Å; L54-V59 VanDerWaalsContact O-CB 3.23Å; L54-V59 WeakPolarHBondContact O-CB 3.37Å; L54-V59 WeakPolarHBondContact O-CG2 3.48Å; L54-V59 PolarHBondContact O-N 3.4Å; L54-V59 VanDerWaalsContact O-N 3.1Å; H57-V59 PolarHBondContact O-N 2.95Å; V59-N61 WeakPolarHBondContact CG1-O 3.29Å
60M92.7Very high86.3Confident70 Ų7074.4 Ų74.435%0.34539%0.393SS..EExtended strand (participates in β ladder)trans-78.8-50.6-178.6-168.7-174.810.700111.4P32 K33 V34 G58 A76 C77P32-M60 HydrophobicContact CB-CE 4.22Å; P32-M60 HydrophobicContact CG-CE 4.43Å; K33-M60 PolarHBondContact O-N 3.35Å; V34-M60 HydrophobicContact CG2-CE 4.01Å; G58-M60 PolarHBondContact O-N 2.95Å; M60-A76 HydrophobicContact CE-CB 4.03Å; M60-A76 HydrophobicContact SD-CB 4.17Å; M60-C77 HydrophobicContact CE-CB 3.84Å
61N90.9Very high85.3Confident72 Ų7274 Ų7439%0.38539%0.393SS..EExtended strand (participates in β ladder)trans-140.9156-177.6-69.476.8000110.9V34 I35 V59 F63V34-N61 WeakPolarHBondContact CA-O 3.41Å; V34-N61 HydrophobicContact CG2-CB 4.47Å; I35-N61 PolarHBondContact N-O 2.91Å; I35-N61 VanDerWaalsContact N-O 3.11Å; V59-N61 WeakPolarHBondContact CG1-O 3.29Å; N61-F63 HydrophobicContact CB-CD2 4.39Å; N61-F63 HydrophobicContact CB-CE1 4.45Å; N61-F63 HydrophobicContact CB-CE2 3.52Å; N61-F63 HydrophobicContact CB-CZ 3.56Å
62S91.8Very high84.8Confident42 Ų4270.7 Ų70.729%0.29438%0.379SS..EExtended strand (participates in β ladder)trans-126.6136.7171.8-78.20000109.4I35 W37I35-S62 CarbonylContact O-C 3.51Å; I35-S62 VanDerWaalsContact O-CA 3.32Å; I35-S62 WeakPolarHBondContact O-CA 3.26Å; W37-S62 VanDerWaalsContact NE1-CB 3.31Å; W37-S62 PolarHBondContact NE1-OG 3.42Å; W37-S62 VanDerWaalsContact NE1-OG 3.1Å
63F92.4Very high84.4Confident77 Ų7767.3 Ų67.334%0.33836%0.355SS..EExtended strand (participates in β ladder)trans-131.4157.7-178.5-57.8-74.8000110.8V34 I35 Y36 W37 N61 P74V34-F63 HydrophobicContact CG1-CD2 3.52Å; V34-F63 HydrophobicContact CG1-CE2 3.52Å; I35-F63 PolarHBondContact O-N 2.84Å; Y36-F63 CarbonylContact C-O 3.53Å; Y36-F63 WeakPolarHBondContact CA-O 3.45Å; Y36-F63 HydrophobicContact CD1-CB 3.74Å; Y36-F63 HydrophobicContact CE1-CB 3.62Å; Y36-F63 HydrophobicContact CE1-CD2 4.06Å; Y36-F63 HydrophobicContact CE1-CG 4.12Å; Y36-F63 HydrophobicContact CE2-CD2 4.28Å; Y36-F63 HydrophobicContact CG-CB 4.48Å; Y36-F63 AromaticContact CZ-CD2 3.83Å; W37-F63 PolarHBondContact N-O 2.91Å; N61-F63 HydrophobicContact CB-CD2 4.39Å; N61-F63 HydrophobicContact CB-CE1 4.45Å; N61-F63 HydrophobicContact CB-CE2 3.52Å; N61-F63 HydrophobicContact CB-CZ 3.56Å; F63-P74 HydrophobicContact CE2-CG 3.92Å; F63-P74 HydrophobicContact CZ-CG 4.1Å
64L91.8Very high84.1Confident61 Ų6167.7 Ų67.732%0.31936%0.359SS..EExtended strand (participates in β ladder)trans-81.9132.8169.5-173.270.5000109.4W37 K39 L42 Q66W37-L64 WeakPolarHBondContact O-CD1 3.49Å; K39-L64 HydrophobicContact CB-CD1 3.84Å; K39-L64 HydrophobicContact CG-CD1 4.35Å; L42-L64 HydrophobicContact CD1-CD1 3.84Å; L64-Q66 HydrophobicContact CB-CG 4.45Å; L64-Q66 HydrophobicContact CD2-CG 4.08Å; L64-Q66 HydrophobicContact CG-CG 4.2Å; L64-Q66 PolarHBondContact O-N 3.09Å
65L89.3Confident83.5Confident19 Ų1971.9 Ų71.910%0.09939%0.389CS..  trans-70.3108.9172.3-17865.7000109.1W37 F82 I84 I90 V94W37-L65 WeakPolarHBondContact O-CB 3.16Å; W37-L65 PolarHBondContact O-N 3.14Å; L65-F82 HydrophobicContact CD1-CD1 4.21Å; L65-F82 HydrophobicContact CD1-CE1 4.28Å; L65-I84 HydrophobicContact CD2-CG2 4.05Å; L65-I90 HydrophobicContact CD2-CG2 3.92Å; L65-V94 HydrophobicContact CD1-CG2 4.42Å; L65-V94 HydrophobicContact CD2-CG2 3.58Å
66Q82Confident83.1Confident104 Ų10467.7 Ų67.749%0.48638%0.382SS..  trans-121.7148.4177.5-64.7-179.3-3.300110.2L64 A68L64-Q66 HydrophobicContact CB-CG 4.45Å; L64-Q66 HydrophobicContact CD2-CG 4.08Å; L64-Q66 HydrophobicContact CG-CG 4.2Å; L64-Q66 PolarHBondContact O-N 3.09Å; Q66-A68 VanDerWaalsContact C-N 3.28Å
67S69.9Low82.8Confident74 Ų7460.4 Ų60.452%0.51735%0.351SS..  trans-76.8-17.1172.4-169.50000112.5R100S67-R100 PolarHBondContact O-NH2 2.86Å
68A63.9Low82.7Confident56 Ų5664.2 Ų64.246%0.46337%0.367SS..SBendtrans-64.6158.4-175.900000114.4Q66 D70Q66-A68 VanDerWaalsContact C-N 3.28Å; A68-D70 PolarHBondContact O-N 3.32Å
69K60Low82.7Confident178 Ų17863.1 Ų63.177%0.77436%0.355SS*.THydrogen-bonded Turntrans-82-12-139.7-71.1-178.8176.1178.70118.3R100K69-R100 PolarHBondContact O-NE 3.45Å
70D57.4Low82.7Confident162 Ų16262.8 Ų62.887%0.86635%0.353SS*.THydrogen-bonded Turntrans-122.118.4-167.7-59-38.6000116.3A68A68-D70 PolarHBondContact O-N 3.32Å
71S67.2Low82.8Confident38 Ų3859.5 Ų59.527%0.26634%0.337SS..  trans-97.6118.9177.162.50000112.8R100S71-R100 PolarHBondContact O-NH1 2.91Å
72C76.7Confident83.1Confident48 Ų4856 Ų5632%0.32432%0.319SS..  trans-116.4160.1163.6-67.40000109.5Y36Y36-C72 PolarHBondContact OH-O 2.8Å
73S83.7Confident83.3Confident0 Ų054 Ų540%031%0.305CS..  trans-71.3140.1177.4620000111.3Y36 D101 Q106 K110Y36-S73 WeakPolarHBondContact OH-CA 3.33Å; S73-D101 WeakPolarHBondContact CB-OD1 3.41Å; S73-D101 PolarHBondContact N-OD1 3.43Å; S73-D101 VanDerWaalsContact OG-CG 3.23Å; S73-D101 PolarHBondContact OG-OD1 2.73Å; S73-D101 PolarHBondContact OG-OD2 3.41Å; S73-D101 VanDerWaalsContact OG-OD2 3.11Å; S73-Q106 PolarHBondContact O-OE1 2.92Å; S73-K110 PolarHBondContact O-NZ 2.79Å; S73-K110 VanDerWaalsContact O-NZ 3.16Å; S73-K110 PolarHBondContact OG-NZ 3.39Å
74P85.9Confident83.5Confident33 Ų3350.5 Ų50.521%0.21429%0.289CS..  trans-52.1141.7178.1-2734000113V34 F63 A76 C77 K110V34-P74 HydrophobicContact CG2-CG 4.12Å; F63-P74 HydrophobicContact CE2-CG 3.92Å; F63-P74 HydrophobicContact CZ-CG 4.1Å; P74-A76 PolarHBondContact O-N 2.98Å; P74-C77 PolarHBondContact O-N 3.47Å; P74-C77 PolarHBondContact O-SG 3.06Å; P74-K110 WeakPolarHBondContact O-CE 3.36Å; P74-K110 PolarHBondContact O-NZ 2.69Å
75S81.5Confident83.5Confident91 Ų9149.9 Ų49.964%0.63629%0.286SS*.THydrogen-bonded Turntrans-63-27.5179.956.70000113.7C77S75-C77 VanDerWaalsContact C-N 3.32Å; S75-C77 PolarHBondContact O-N 3.18Å
76A86.4Confident83.5Confident62 Ų6250 Ų5051%0.51229%0.288SS..THydrogen-bonded Turntrans-75-14.5-17800000114.2P32 M60 P74P32-A76 WeakPolarHBondContact CG-O 3.25Å; M60-A76 HydrophobicContact CE-CB 4.03Å; M60-A76 HydrophobicContact SD-CB 4.17Å; P74-A76 PolarHBondContact O-N 2.98Å
77C89.8Confident83.9Confident5 Ų549.5 Ų49.53%0.03429%0.285CS..  trans-84.5138.6-175.873.60000112.8P32 V34 M60 P74 S75 K110P32-C77 WeakPolarHBondContact O-CA 3.44Å; V34-C77 HydrophobicContact CB-CB 4.27Å; V34-C77 HydrophobicContact CG2-CB 3.56Å; M60-C77 HydrophobicContact CE-CB 3.84Å; P74-C77 PolarHBondContact O-N 3.47Å; P74-C77 PolarHBondContact O-SG 3.06Å; S75-C77 VanDerWaalsContact C-N 3.32Å; S75-C77 PolarHBondContact O-N 3.18Å; C77-K110 WeakPolarHBondContact O-CE 3.4Å
78K92.7Very high85Confident126 Ų12649 Ų4955%0.54828%0.278SS..SBendtrans-89.8-27.4172.2-68.7-172.9-164.8167.10112.8P30 S31 P32 K110 Q111P30-K78 HydrophobicContact CB-CB 4.27Å; S31-K78 WeakPolarHBondContact O-CD 3.14Å; P32-K78 PolarHBondContact O-N 3.1Å; K78-K110 WeakPolarHBondContact O-CA 3.47Å; K78-Q111 PolarHBondContact O-N 3.39Å
79S94.8Very high86.4Confident0 Ų049.8 Ų49.80%028%0.281CS..EExtended strand (participates in β ladder)trans-132.9145.8179.263.80000112.5P30 P32 K33 V34 Q111P30-S79 WeakPolarHBondContact O-CB 3.41Å; P30-S79 PolarHBondContact O-OG 2.94Å; P32-S79 PolarHBondContact O-N 3.03Å; K33-S79 WeakPolarHBondContact CB-OG 3.49Å; K33-S79 WeakPolarHBondContact CG-OG 3.48Å; V34-S79 PolarHBondContact N-O 3.32Å; S79-Q111 CarbonylContact C-O 3.52Å; S79-Q111 VanDerWaalsContact CA-O 3.26Å; S79-Q111 WeakPolarHBondContact CA-O 3.43Å
80V95.1Very high87.9Confident0 Ų042.8 Ų42.80%025%0.251CS..EExtended strand (participates in β ladder)trans-123.9117.9177.3-179.50000108.1V34 Y36 F82 F97 K110 Q111 Y112 S113V34-V80 WeakPolarHBondContact O-CA 3.24Å; Y36-V80 HydrophobicContact CD2-CG1 3.69Å; Y36-V80 HydrophobicContact CE2-CG1 3.76Å; V80-F82 HydrophobicContact CG1-CE1 4.23Å; V80-F82 HydrophobicContact CG1-CE2 3.93Å; V80-F82 HydrophobicContact CG1-CZ 3.68Å; V80-F97 HydrophobicContact CG1-CE1 4.39Å; V80-K110 HydrophobicContact CG2-CD 4.45Å; V80-Q111 PolarHBondContact N-O 2.93Å; V80-Y112 HydrophobicContact CB-CD1 3.74Å; V80-Y112 HydrophobicContact CB-CE1 4.05Å; V80-Y112 HydrophobicContact CG1-CD1 4.19Å; V80-Y112 HydrophobicContact CG1-CE1 4.48Å; V80-Y112 HydrophobicContact CG2-CD1 4.26Å; V80-Y112 HydrophobicContact CG2-CE1 4.06Å; V80-Y112 WeakPolarHBondContact O-CA 3.21Å; V80-S113 PolarHBondContact O-N 3.16Å
81V96.4Very high89.6Confident1 Ų135.1 Ų35.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-112123.9-176.2-174.20000109.5I26 Q29 V34 I35 Y36 I83 S113 I115I26-V81 HydrophobicContact CD1-CG1 4.39Å; Q29-V81 HydrophobicContact CB-CG2 4.39Å; Q29-V81 HydrophobicContact CG-CG2 3.9Å; V34-V81 PolarHBondContact O-N 3.42Å; I35-V81 CarbonylContact C-O 3.55Å; I35-V81 WeakPolarHBondContact CA-O 3.28Å; I35-V81 HydrophobicContact CG1-CB 4.35Å; Y36-V81 PolarHBondContact N-O 2.99Å; V81-I83 HydrophobicContact CG1-CG1 4.37Å; V81-S113 WeakPolarHBondContact CA-O 3.35Å; V81-I115 HydrophobicContact CG1-CD1 3.7Å; V81-I115 HydrophobicContact CG1-CG1 3.88Å
82F96.5Very high90.8Very high0 Ų036.3 Ų36.30%021%0.214CC..EExtended strand (participates in β ladder)trans-98.8123.6174.9-57.5-83.1000109.6Y36 L65 V80 I84 V94 F97 L98 Y112 S113 I114 I115 F137Y36-F82 HydrophobicContact CD2-CE1 4.19Å; Y36-F82 HydrophobicContact CG-CD1 4.36Å; Y36-F82 HydrophobicContact CG-CE1 4.21Å; L65-F82 HydrophobicContact CD1-CD1 4.21Å; L65-F82 HydrophobicContact CD1-CE1 4.28Å; V80-F82 HydrophobicContact CG1-CE1 4.23Å; V80-F82 HydrophobicContact CG1-CE2 3.93Å; V80-F82 HydrophobicContact CG1-CZ 3.68Å; F82-I84 HydrophobicContact CB-CG2 4.18Å; F82-V94 HydrophobicContact CB-CG2 4.33Å; F82-V94 HydrophobicContact CD1-CG1 4.05Å; F82-V94 HydrophobicContact CD1-CG2 4.03Å; F82-V94 HydrophobicContact CD2-CG1 3.89Å; F82-V94 HydrophobicContact CE1-CG1 4.16Å; F82-V94 HydrophobicContact CE2-CG1 3.99Å; F82-V94 HydrophobicContact CG-CG1 3.92Å; F82-V94 HydrophobicContact CG-CG2 4.19Å; F82-V94 HydrophobicContact CZ-CG1 4.14Å; F82-F97 AromaticContact CE1-CD1 3.71Å; F82-F97 HydrophobicContact CE1-CD1 3.71Å; F82-F97 HydrophobicContact CE1-CE1 4.06Å; F82-F97 HydrophobicContact CE1-CG 4.21Å; F82-F97 AromaticContact CZ-CD1 3.53Å; F82-F97 HydrophobicContact CZ-CD1 3.53Å; F82-F97 AromaticContact CZ-CE1 3.8Å; F82-F97 HydrophobicContact CZ-CE1 3.8Å; F82-F97 HydrophobicContact CZ-CG 4.43Å; F82-L98 HydrophobicContact CE2-CD2 4.13Å; F82-L98 HydrophobicContact CE2-CG 4.49Å; F82-L98 HydrophobicContact CZ-CD2 4.16Å; F82-L98 HydrophobicContact CZ-CG 4.4Å; F82-Y112 HydrophobicContact CE2-CD1 4.04Å; F82-Y112 HydrophobicContact CZ-CD1 4.41Å; F82-S113 WeakPolarHBondContact CD2-O 3.35Å; F82-S113 PolarHBondContact N-O 3.18Å; F82-I114 HydrophobicContact CB-CG1 4.32Å; F82-I114 HydrophobicContact CD2-CG1 4.48Å; F82-I114 WeakPolarHBondContact O-CA 3.39Å; F82-I115 PolarHBondContact O-N 3.26Å; F82-F137 HydrophobicContact CD2-CE1 4.03Å; F82-F137 HydrophobicContact CE2-CE1 4.14Å
83I96.7Very high91.6Very high0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-109109.3176.2-60.5175.5000107.9F22 I35 Y36 W37 E38 L41 V81 I115 I117F22-I83 HydrophobicContact CE2-CD1 3.74Å; F22-I83 HydrophobicContact CZ-CD1 3.53Å; I35-I83 HydrophobicContact CD1-CD1 4.29Å; I35-I83 HydrophobicContact CG2-CD1 3.49Å; I35-I83 VanDerWaalsContact CG2-CD1 3.49Å; I35-I83 HydrophobicContact CG2-CG1 3.96Å; Y36-I83 PolarHBondContact O-N 3.27Å; W37-I83 HydrophobicContact CD2-CD1 4.26Å; W37-I83 HydrophobicContact CE3-CB 3.92Å; W37-I83 HydrophobicContact CE3-CD1 3.74Å; W37-I83 HydrophobicContact CE3-CG1 4.42Å; W37-I83 HydrophobicContact CE3-CG2 3.88Å; W37-I83 HydrophobicContact CH2-CD1 3.4Å; W37-I83 HydrophobicContact CZ2-CD1 3.94Å; W37-I83 HydrophobicContact CZ3-CB 4.15Å; W37-I83 HydrophobicContact CZ3-CD1 3.27Å; W37-I83 HydrophobicContact CZ3-CG1 4.3Å; W37-I83 HydrophobicContact CZ3-CG2 3.87Å; E38-I83 WeakPolarHBondContact CB-O 3.32Å; E38-I83 PolarHBondContact N-O 3.39Å; L41-I83 HydrophobicContact CD1-CG2 4Å; V81-I83 HydrophobicContact CG1-CG1 4.37Å; I83-I115 WeakPolarHBondContact CA-O 3.45Å; I83-I115 HydrophobicContact CG1-CB 4.31Å; I83-I117 HydrophobicContact CG2-CD1 3.6Å; I83-I117 HydrophobicContact CG2-CG1 4.27Å
84I96Very high92Very high2 Ų235.2 Ų35.21%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-135.7145.7-165.166.1173.8000113.3E38 L65 F82 I90 V91 V94 I114 I115 A116 I117E38-I84 HydrophobicContact CB-CG2 4.44Å; L65-I84 HydrophobicContact CD2-CG2 4.05Å; F82-I84 HydrophobicContact CB-CG2 4.18Å; I84-I90 HydrophobicContact CB-CG2 3.81Å; I84-I90 HydrophobicContact CG2-CG2 3.75Å; I84-V91 HydrophobicContact CD1-CG2 4.04Å; I84-V94 HydrophobicContact CG2-CG2 4.15Å; I84-I114 HydrophobicContact CD1-CG2 3.83Å; I84-I114 HydrophobicContact CG1-CG2 3.94Å; I84-I115 PolarHBondContact N-O 2.8Å; I84-I115 VanDerWaalsContact N-O 3.15Å; I84-A116 WeakPolarHBondContact O-CA 3.4Å; I84-I117 PolarHBondContact O-N 3.18Å
85N92.3Very high92.2Very high48 Ų4835.4 Ų35.426%0.25720%0.204SC..  trans-75.4131.8159.3-174-40.7000107.8L41 K87L41-N85 HydrophobicContact CD1-CB 4.45Å; L41-N85 VanDerWaalsContact CD1-N 3.32Å; L41-N85 HydrophobicContact CG-CB 4.4Å; N85-K87 PolarHBondContact O-N 3.14Å
86P88.2Confident92.6Very high22 Ų2232.9 Ų32.914%0.14319%0.187CC..  trans-72.859.5-171.937.7-48.6000114.6I117 R119 S121 C124P86-I117 WeakPolarHBondContact CD-O 3.43Å; P86-R119 VanDerWaalsContact CB-O 3.23Å; P86-R119 WeakPolarHBondContact CB-O 3.2Å; P86-R119 WeakPolarHBondContact CD-O 3.16Å; P86-R119 WeakPolarHBondContact CG-O 3.49Å; P86-S121 PolarHBondContact O-OG 3.45Å; P86-C124 PolarHBondContact O-SG 3.2Å
87K91.6Very high92.8Very high94 Ų9430 Ų3041%0.40916%0.163SC..  trans-98.1139.8170.7-64.8175.4-175.2169.60109.9D40 N85 S89 I90 V91D40-K87 IonicContact OD2-NZ 3.89Å; N85-K87 PolarHBondContact O-N 3.14Å; K87-S89 VanDerWaalsContact C-N 3.26Å; K87-S89 PolarHBondContact O-N 3.49Å; K87-I90 HydrophobicContact CB-CB 4.47Å; K87-I90 HydrophobicContact CB-CG1 3.99Å; K87-I90 PolarHBondContact O-N 2.9Å; K87-V91 PolarHBondContact O-N 3.38Å; K87-V91 VanDerWaalsContact O-N 3.07Å
88V92.9Very high92.8Very high62 Ų6230 Ų3038%0.37616%0.162SC..Hα-helixtrans-57.8-38.9-179.7177.40000111.8I90 V91 D92 A123 F127V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 2.89Å; V88-V91 PolarHBondContact O-N 3.38Å; V88-D92 WeakPolarHBondContact O-CB 3.5Å; V88-D92 PolarHBondContact O-N 3.37Å; V88-A123 HydrophobicContact CG2-CB 4.22Å; V88-F127 HydrophobicContact CG1-CD1 4.39Å; V88-F127 HydrophobicContact CG1-CD2 3.72Å; V88-F127 HydrophobicContact CG1-CE2 3.9Å; V88-F127 HydrophobicContact CG1-CG 3.97Å; V88-F127 HydrophobicContact CG1-CZ 4.31Å
89S91.9Very high92.6Very high74 Ų7426.6 Ų26.652%0.51715%0.152SC..Hα-helixtrans-61.8-33.4176.353.50000113.9K87 S93K87-S89 VanDerWaalsContact C-N 3.26Å; K87-S89 PolarHBondContact O-N 3.49Å; S89-S93 PolarHBondContact O-N 2.85Å; S89-S93 PolarHBondContact O-OG 3.27Å; S89-S93 VanDerWaalsContact O-OG 3.06Å
90I93.1Very high92.2Very high31 Ų3128.9 Ų28.916%0.15916%0.161CC..Hα-helixtrans-76.3-41.7177.4-58.1-59.7000109.9E38 L65 I84 K87 V88 D92 S93 V94E38-I90 HydrophobicContact CB-CG2 4.49Å; E38-I90 HydrophobicContact CG-CD1 3.99Å; E38-I90 HydrophobicContact CG-CG1 4.19Å; E38-I90 HydrophobicContact CG-CG2 4.04Å; L65-I90 HydrophobicContact CD2-CG2 3.92Å; I84-I90 HydrophobicContact CB-CG2 3.81Å; I84-I90 HydrophobicContact CG2-CG2 3.75Å; K87-I90 HydrophobicContact CB-CB 4.47Å; K87-I90 HydrophobicContact CB-CG1 3.99Å; K87-I90 PolarHBondContact O-N 2.9Å; V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 2.89Å; I90-D92 VanDerWaalsContact C-N 3.27Å; I90-D92 PolarHBondContact O-N 2.59Å; I90-S93 WeakPolarHBondContact O-CA 3.49Å; I90-S93 VanDerWaalsContact O-CB 3.32Å; I90-S93 WeakPolarHBondContact O-CB 3.41Å; I90-S93 PolarHBondContact O-N 2.72Å; I90-V94 PolarHBondContact O-N 3.03Å
91V93.1Very high91.9Very high1 Ų128.9 Ų28.91%0.00616%0.161CC..Hα-helixtrans-61.5-37.4174.3178.40000111.5I84 K87 V88 S93 V94 Q95 C124 F127 L128I84-V91 HydrophobicContact CD1-CG2 4.04Å; K87-V91 PolarHBondContact O-N 3.38Å; K87-V91 VanDerWaalsContact O-N 3.07Å; V88-V91 PolarHBondContact O-N 3.38Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 3.28Å; V91-V94 WeakPolarHBondContact O-CB 3.08Å; V91-V94 PolarHBondContact O-N 3.09Å; V91-Q95 PolarHBondContact O-N 2.72Å; V91-C124 HydrophobicContact CG2-CB 3.96Å; V91-C124 VanDerWaalsContact CG2-SG 3.59Å; V91-F127 HydrophobicContact CB-CD1 4.32Å; V91-F127 HydrophobicContact CG1-CD1 3.72Å; V91-F127 HydrophobicContact CG1-CE1 4.22Å; V91-L128 HydrophobicContact CG1-CD1 4.49Å; V91-L128 HydrophobicContact CG1-CD2 3.49Å; V91-L128 VanDerWaalsContact CG1-CD2 3.49Å; V91-L128 HydrophobicContact CG1-CG 3.73Å
92D92.2Very high91.3Very high63 Ų6332.1 Ų32.134%0.33718%0.183SC..Hα-helixtrans-64-35.1172.8-17267.2000112.4V88 I90 Q95 S96 F127V88-D92 WeakPolarHBondContact O-CB 3.5Å; V88-D92 PolarHBondContact O-N 3.37Å; I90-D92 VanDerWaalsContact C-N 3.27Å; I90-D92 PolarHBondContact O-N 2.59Å; D92-Q95 WeakPolarHBondContact O-CB 3.39Å; D92-Q95 PolarHBondContact O-N 3.46Å; D92-S96 WeakPolarHBondContact O-CB 3.43Å; D92-S96 PolarHBondContact O-N 3.5Å; D92-S96 PolarHBondContact O-OG 2.99Å; D92-F127 HydrophobicContact CB-CE1 4.09Å; D92-F127 HydrophobicContact CB-CZ 4.02Å
93S92.1Very high90.7Very high22 Ų2239.2 Ų39.215%0.15422%0.216CC..Hα-helixtrans-67.1-40.4172.4-590000112S89 I90 V91 S96 F97S89-S93 PolarHBondContact O-N 2.85Å; S89-S93 PolarHBondContact O-OG 3.27Å; S89-S93 VanDerWaalsContact O-OG 3.06Å; I90-S93 WeakPolarHBondContact O-CA 3.49Å; I90-S93 VanDerWaalsContact O-CB 3.32Å; I90-S93 WeakPolarHBondContact O-CB 3.41Å; I90-S93 PolarHBondContact O-N 2.72Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-S93 PolarHBondContact O-N 3.28Å; S93-S96 PolarHBondContact O-N 2.86Å; S93-F97 PolarHBondContact O-N 2.94Å
94V92.7Very high89.9Confident2 Ų240.6 Ų40.61%0.01223%0.226CC..Hα-helixtrans-62.7-44.3172.7176.70000110.8L65 F82 I84 I90 V91 S96 F97 L98 F137L65-V94 HydrophobicContact CD1-CG2 4.42Å; L65-V94 HydrophobicContact CD2-CG2 3.58Å; F82-V94 HydrophobicContact CB-CG2 4.33Å; F82-V94 HydrophobicContact CD1-CG1 4.05Å; F82-V94 HydrophobicContact CD1-CG2 4.03Å; F82-V94 HydrophobicContact CD2-CG1 3.89Å; F82-V94 HydrophobicContact CE1-CG1 4.16Å; F82-V94 HydrophobicContact CE2-CG1 3.99Å; F82-V94 HydrophobicContact CG-CG1 3.92Å; F82-V94 HydrophobicContact CG-CG2 4.19Å; F82-V94 HydrophobicContact CZ-CG1 4.14Å; I84-V94 HydrophobicContact CG2-CG2 4.15Å; I90-V94 PolarHBondContact O-N 3.03Å; V91-V94 WeakPolarHBondContact O-CB 3.08Å; V91-V94 PolarHBondContact O-N 3.09Å; V94-S96 PolarHBondContact O-N 3.37Å; V94-F97 WeakPolarHBondContact O-CB 3.32Å; V94-F97 PolarHBondContact O-N 3.5Å; V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 HydrophobicContact CG1-CG 4.47Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 2.78Å; V94-F137 HydrophobicContact CG1-CE1 4.22Å; V94-F137 HydrophobicContact CG1-CZ 3.83Å
95Q90.4Very high88.6Confident38 Ų3848.6 Ų48.618%0.17827%0.269CS..Hα-helixtrans-57.8-50175179.7-163.7-29.300110.9V91 D92 F97 L98 V99 M133V91-Q95 PolarHBondContact O-N 2.72Å; D92-Q95 WeakPolarHBondContact O-CB 3.39Å; D92-Q95 PolarHBondContact O-N 3.46Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.5Å; Q95-L98 PolarHBondContact O-N 3.37Å; Q95-L98 VanDerWaalsContact O-N 3.14Å; Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.65Å; Q95-M133 HydrophobicContact CG-CE 4.39Å; Q95-M133 HydrophobicContact CG-CG 4.08Å; Q95-M133 HydrophobicContact CG-SD 4.42Å
96S90.1Very high87.6Confident38 Ų3850.8 Ų50.827%0.26628%0.277SS..Hα-helixtrans-58.2-41.4179.2-62.70000111.8D92 S93 V94 R100D92-S96 WeakPolarHBondContact O-CB 3.43Å; D92-S96 PolarHBondContact O-N 3.5Å; D92-S96 PolarHBondContact O-OG 2.99Å; S93-S96 PolarHBondContact O-N 2.86Å; V94-S96 PolarHBondContact O-N 3.37Å; S96-R100 PolarHBondContact O-N 2.86Å
97F91Very high86.6Confident1 Ų150.6 Ų50.60%0.00428%0.277CS..Hα-helixtrans-60.9-48.6173.6179.5-85000111.8Y36 V80 F82 S93 V94 Q95 V99 R100 D101Y36-F97 HydrophobicContact CD1-CE2 4.32Å; Y36-F97 HydrophobicContact CD2-CZ 4.43Å; Y36-F97 HydrophobicContact CE1-CD2 4.38Å; Y36-F97 AromaticContact CE1-CE2 3.59Å; Y36-F97 HydrophobicContact CE1-CE2 3.59Å; Y36-F97 AromaticContact CE1-CZ 3.95Å; Y36-F97 HydrophobicContact CE1-CZ 3.95Å; Y36-F97 HydrophobicContact CE2-CE1 4.32Å; Y36-F97 HydrophobicContact CE2-CE2 4.21Å; Y36-F97 AromaticContact CE2-CZ 3.68Å; Y36-F97 HydrophobicContact CE2-CZ 3.68Å; Y36-F97 AromaticContact CZ-CE2 3.53Å; Y36-F97 AromaticContact CZ-CZ 3.4Å; Y36-F97 VanDerWaalsContact CZ-CZ 3.4Å; Y36-F97 WeakPolarHBondContact OH-CZ 3.33Å; V80-F97 HydrophobicContact CG1-CE1 4.39Å; F82-F97 AromaticContact CE1-CD1 3.71Å; F82-F97 HydrophobicContact CE1-CD1 3.71Å; F82-F97 HydrophobicContact CE1-CE1 4.06Å; F82-F97 HydrophobicContact CE1-CG 4.21Å; F82-F97 AromaticContact CZ-CD1 3.53Å; F82-F97 HydrophobicContact CZ-CD1 3.53Å; F82-F97 AromaticContact CZ-CE1 3.8Å; F82-F97 HydrophobicContact CZ-CE1 3.8Å; F82-F97 HydrophobicContact CZ-CG 4.43Å; S93-F97 PolarHBondContact O-N 2.94Å; V94-F97 WeakPolarHBondContact O-CB 3.32Å; V94-F97 PolarHBondContact O-N 3.5Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.5Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.72Å; F97-R100 WeakPolarHBondContact O-CB 3.49Å; F97-R100 PolarHBondContact O-N 3.42Å; F97-D101 HydrophobicContact CE1-CB 4.17Å; F97-D101 PolarHBondContact O-N 3.23Å
98L89.3Confident85.7Confident5 Ų550.9 Ų50.93%0.02630%0.296CS..Hα-helixtrans-63.8-37.4-178.2-73.9173.4000113.2F82 V94 Q95 R100 S102 Y112 M133 F137F82-L98 HydrophobicContact CE2-CD2 4.13Å; F82-L98 HydrophobicContact CE2-CG 4.49Å; F82-L98 HydrophobicContact CZ-CD2 4.16Å; F82-L98 HydrophobicContact CZ-CG 4.4Å; V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 HydrophobicContact CG1-CG 4.47Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 2.78Å; Q95-L98 PolarHBondContact O-N 3.37Å; Q95-L98 VanDerWaalsContact O-N 3.14Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-S102 VanDerWaalsContact O-CB 3.3Å; L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.02Å; L98-S102 PolarHBondContact O-OG 3.26Å; L98-Y112 HydrophobicContact CD2-CD1 3.17Å; L98-Y112 HydrophobicContact CD2-CD2 3.99Å; L98-Y112 HydrophobicContact CD2-CE1 3.37Å; L98-Y112 HydrophobicContact CD2-CE2 4.17Å; L98-Y112 HydrophobicContact CD2-CG 3.49Å; L98-Y112 VanDerWaalsContact CD2-CG 3.49Å; L98-M133 HydrophobicContact CB-CE 3.53Å; L98-M133 HydrophobicContact CD1-CE 3.32Å; L98-M133 HydrophobicContact CG-CE 4.06Å; L98-F137 HydrophobicContact CD1-CE1 3.77Å; L98-F137 HydrophobicContact CD1-CE2 4.01Å; L98-F137 HydrophobicContact CD1-CZ 3.3Å
99V87.7Confident85.2Confident55 Ų5551.7 Ų51.733%0.33332%0.317SS..Hα-helixtrans-61.1-47174.4171.30000109.9Q95 F97 S102 Q103Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.65Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.72Å; V99-S102 PolarHBondContact O-N 2.95Å; V99-S102 PolarHBondContact O-OG 3.22Å; V99-Q103 WeakPolarHBondContact O-CG 3.47Å; V99-Q103 PolarHBondContact O-N 2.86Å
100R86.5Confident85.1Confident48 Ų4849.2 Ų49.218%0.18130%0.297CS..Hα-helixtrans-63.8-47.1178.2-170.1-171.8-54.2108.64.7112.2S67 K69 S71 S96 F97 L98 S102 Q103 S104S67-R100 PolarHBondContact O-NH2 2.86Å; K69-R100 PolarHBondContact O-NE 3.45Å; S71-R100 PolarHBondContact O-NH1 2.91Å; S96-R100 PolarHBondContact O-N 2.86Å; F97-R100 WeakPolarHBondContact O-CB 3.49Å; F97-R100 PolarHBondContact O-N 3.42Å; L98-R100 VanDerWaalsContact C-N 3.34Å; R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 PolarHBondContact O-N 3.1Å; R100-Q103 PolarHBondContact O-N 3.11Å; R100-Q103 VanDerWaalsContact O-N 3.16Å; R100-S104 PolarHBondContact O-N 3.45Å
101D88.5Confident85.1Confident0 Ų051.7 Ų51.70%031%0.308CS..Hα-helixtrans-58.8-48.2179.6-156.879.9000109.1S73 F97 Q103 S104 S107 Y112S73-D101 WeakPolarHBondContact CB-OD1 3.41Å; S73-D101 PolarHBondContact N-OD1 3.43Å; S73-D101 VanDerWaalsContact OG-CG 3.23Å; S73-D101 PolarHBondContact OG-OD1 2.73Å; S73-D101 PolarHBondContact OG-OD2 3.41Å; S73-D101 VanDerWaalsContact OG-OD2 3.11Å; F97-D101 HydrophobicContact CE1-CB 4.17Å; F97-D101 PolarHBondContact O-N 3.23Å; D101-Q103 PolarHBondContact O-N 2.96Å; D101-S104 WeakPolarHBondContact O-CA 3.26Å; D101-S104 WeakPolarHBondContact O-CB 3.4Å; D101-S104 PolarHBondContact O-N 3.11Å; D101-S104 PolarHBondContact O-OG 2.66Å; D101-S107 PolarHBondContact O-OG 2.78Å; D101-S107 PolarHBondContact OD2-OG 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.84Å
102S83.5Confident85.2Confident68 Ų6852.8 Ų52.848%0.47631%0.313SS..Hα-helixtrans-60.2-22.4179.471.40000115.7L98 V99 R100 S104L98-S102 VanDerWaalsContact O-CB 3.3Å; L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.02Å; L98-S102 PolarHBondContact O-OG 3.26Å; V99-S102 PolarHBondContact O-N 2.95Å; V99-S102 PolarHBondContact O-OG 3.22Å; R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 PolarHBondContact O-N 3.1Å; S102-S104 VanDerWaalsContact C-N 3.35Å
103Q83.9Confident85.4Confident149 Ų14949.9 Ų49.970%0.69630%0.297SS*.Hα-helixtrans-82.4-15.8173.8-69.8170.8-6.200112.4V99 R100 D101V99-Q103 WeakPolarHBondContact O-CG 3.47Å; V99-Q103 PolarHBondContact O-N 2.86Å; R100-Q103 PolarHBondContact O-N 3.11Å; R100-Q103 VanDerWaalsContact O-N 3.16Å; D101-Q103 PolarHBondContact O-N 2.96Å
104S80.3Confident85.6Confident29 Ų2948.9 Ų48.920%0.20329%0.29CS..SBendtrans-80143.8173.785.10000110.8R100 D101 S102 Q106R100-S104 PolarHBondContact O-N 3.45Å; D101-S104 WeakPolarHBondContact O-CA 3.26Å; D101-S104 WeakPolarHBondContact O-CB 3.4Å; D101-S104 PolarHBondContact O-N 3.11Å; D101-S104 PolarHBondContact O-OG 2.66Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S104-Q106 PolarHBondContact O-N 3.24Å; S104-Q106 PolarHBondContact OG-N 3.07Å
105N69.9Low85.9Confident171 Ų17148.8 Ų48.891%0.91429%0.289SS*.THydrogen-bonded Turntrans-63.4-3.2172.2-72.8-17.1000113.3
106Q69.7Low86.2Confident93 Ų9347 Ų4744%0.43528%0.281SS..THydrogen-bonded Turntrans-91.8-2.5-173.7-56.2-176.11500113.7S73 S104 K110S73-Q106 PolarHBondContact O-OE1 2.92Å; S104-Q106 PolarHBondContact O-N 3.24Å; S104-Q106 PolarHBondContact OG-N 3.07Å; Q106-K110 WeakPolarHBondContact O-CE 3.43Å; Q106-K110 PolarHBondContact O-NZ 2.79Å
107S67.3Low86.5Confident19 Ų1945.3 Ų45.313%0.13327%0.269CS..  trans-92.6-7.8-171.4-59.70000116.3D101 G109 K110D101-S107 PolarHBondContact O-OG 2.78Å; D101-S107 PolarHBondContact OD2-OG 3.3Å; S107-G109 PolarHBondContact O-N 2.61Å; S107-K110 PolarHBondContact O-N 2.64Å
108A72.8Confident86.6Confident99 Ų9946.8 Ų46.882%0.81828%0.279SS*.THydrogen-bonded Turntrans-59.5116.2-174.900000111.3
109G83.5Confident86.8Confident79 Ų7951.6 Ų51.681%0.81430%0.297SS*.THydrogen-bonded Turntrans84.35175.500000116.6S107S107-G109 PolarHBondContact O-N 2.61Å
110K89.9Confident87.1Confident22 Ų2249.4 Ų49.410%0.09628%0.283CS..  trans-73.8140.2176.7-69-177176.4165.40112.1S73 P74 C77 K78 V80 Q106 S107 Y112S73-K110 PolarHBondContact O-NZ 2.79Å; S73-K110 VanDerWaalsContact O-NZ 3.16Å; S73-K110 PolarHBondContact OG-NZ 3.39Å; P74-K110 WeakPolarHBondContact O-CE 3.36Å; P74-K110 PolarHBondContact O-NZ 2.69Å; C77-K110 WeakPolarHBondContact O-CE 3.4Å; K78-K110 WeakPolarHBondContact O-CA 3.47Å; V80-K110 HydrophobicContact CG2-CD 4.45Å; Q106-K110 WeakPolarHBondContact O-CE 3.43Å; Q106-K110 PolarHBondContact O-NZ 2.79Å; S107-K110 PolarHBondContact O-N 2.64Å; K110-Y112 HydrophobicContact CB-CE2 4.33Å
111Q93.2Very high87.3Confident84 Ų8448.5 Ų48.539%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-96.6132.9170.5-68.2-172.3-1.100111K78 S79 V80 A138K78-Q111 PolarHBondContact O-N 3.39Å; S79-Q111 CarbonylContact C-O 3.52Å; S79-Q111 VanDerWaalsContact CA-O 3.26Å; S79-Q111 WeakPolarHBondContact CA-O 3.43Å; V80-Q111 PolarHBondContact N-O 2.93Å; Q111-A138 HydrophobicContact CB-CB 4.19Å; Q111-A138 HydrophobicContact CG-CB 4.38Å
112Y95.1Very high87.5Confident24 Ų2454.9 Ų54.99%0.09432%0.317CS..EExtended strand (participates in β ladder)trans-108.9136.3176.5-56.9-82.9000109.9V80 F82 L98 D101 K110 F137 A138V80-Y112 HydrophobicContact CB-CD1 3.74Å; V80-Y112 HydrophobicContact CB-CE1 4.05Å; V80-Y112 HydrophobicContact CG1-CD1 4.19Å; V80-Y112 HydrophobicContact CG1-CE1 4.48Å; V80-Y112 HydrophobicContact CG2-CD1 4.26Å; V80-Y112 HydrophobicContact CG2-CE1 4.06Å; V80-Y112 WeakPolarHBondContact O-CA 3.21Å; F82-Y112 HydrophobicContact CE2-CD1 4.04Å; F82-Y112 HydrophobicContact CZ-CD1 4.41Å; L98-Y112 HydrophobicContact CD2-CD1 3.17Å; L98-Y112 HydrophobicContact CD2-CD2 3.99Å; L98-Y112 HydrophobicContact CD2-CE1 3.37Å; L98-Y112 HydrophobicContact CD2-CE2 4.17Å; L98-Y112 HydrophobicContact CD2-CG 3.49Å; L98-Y112 VanDerWaalsContact CD2-CG 3.49Å; D101-Y112 PolarHBondContact OD2-OH 2.84Å; K110-Y112 HydrophobicContact CB-CE2 4.33Å; Y112-F137 CarbonylContact O-C 3.55Å; Y112-F137 WeakPolarHBondContact O-CA 3.4Å; Y112-A138 PolarHBondContact O-N 3.07Å
113S96.5Very high87.9Confident1 Ų154.4 Ų54.41%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-139.1149.1178-62.90000111.4Q29 V80 V81 F82 M139Q29-S113 PolarHBondContact OE1-OG 3.44Å; V80-S113 PolarHBondContact O-N 3.16Å; V81-S113 WeakPolarHBondContact CA-O 3.35Å; F82-S113 WeakPolarHBondContact CD2-O 3.35Å; F82-S113 PolarHBondContact N-O 3.18Å; S113-M139 CarbonylContact C-O 3.54Å; S113-M139 WeakPolarHBondContact CA-O 3.39Å; S113-M139 WeakPolarHBondContact CB-O 3.41Å
114I96.6Very high88.4Confident1 Ų147.3 Ų47.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-113131.3174.3-68171.3000108.7F82 I84 A116 L128 F137 M139 I140 S141F82-I114 HydrophobicContact CB-CG1 4.32Å; F82-I114 HydrophobicContact CD2-CG1 4.48Å; F82-I114 WeakPolarHBondContact O-CA 3.39Å; I84-I114 HydrophobicContact CD1-CG2 3.83Å; I84-I114 HydrophobicContact CG1-CG2 3.94Å; I114-A116 HydrophobicContact CG2-CB 4.38Å; I114-L128 HydrophobicContact CD1-CD1 4.17Å; I114-F137 HydrophobicContact CD1-CD1 4.02Å; I114-F137 HydrophobicContact CD1-CD2 4.21Å; I114-F137 HydrophobicContact CD1-CE1 3.59Å; I114-F137 HydrophobicContact CD1-CE2 3.8Å; I114-F137 HydrophobicContact CD1-CG 4.3Å; I114-F137 HydrophobicContact CD1-CZ 3.44Å; I114-F137 VanDerWaalsContact CD1-CZ 3.44Å; I114-F137 HydrophobicContact CG1-CD1 3.79Å; I114-F137 HydrophobicContact CG1-CE1 3.5Å; I114-F137 HydrophobicContact CG1-CG 4.44Å; I114-F137 HydrophobicContact CG1-CZ 3.93Å; I114-M139 PolarHBondContact N-O 2.9Å; I114-I140 HydrophobicContact CB-CG1 4.35Å; I114-I140 HydrophobicContact CB-CG2 4.3Å; I114-I140 HydrophobicContact CG2-CG2 4.44Å; I114-I140 CarbonylContact O-C 3.57Å; I114-I140 WeakPolarHBondContact O-CA 3.42Å; I114-S141 PolarHBondContact O-N 3.41Å; I114-S141 PolarHBondContact O-OG 2.96Å
115I97.3Very high89Confident1 Ų149.4 Ų49.41%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-110.9106.8163.7-54.8178.6000106.7F22 I26 V81 F82 I83 I84 F143F22-I115 HydrophobicContact CE2-CD1 4.29Å; I26-I115 HydrophobicContact CD1-CD1 3.82Å; V81-I115 HydrophobicContact CG1-CD1 3.7Å; V81-I115 HydrophobicContact CG1-CG1 3.88Å; F82-I115 PolarHBondContact O-N 3.26Å; I83-I115 WeakPolarHBondContact CA-O 3.45Å; I83-I115 HydrophobicContact CG1-CB 4.31Å; I84-I115 PolarHBondContact N-O 2.8Å; I84-I115 VanDerWaalsContact N-O 3.15Å; I115-F143 HydrophobicContact CG2-CB 3.61Å
116A96.9Very high90.2Very high0 Ų044.2 Ų44.20%027%0.266CS..EExtended strand (participates in β ladder)trans-89.5128.3179.700000110.5I84 I114 P118 I120 S141 E142 F143I84-A116 WeakPolarHBondContact O-CA 3.4Å; I114-A116 HydrophobicContact CG2-CB 4.38Å; A116-P118 CarbonylContact O-C 3.55Å; A116-I120 HydrophobicContact CB-CB 3.72Å; A116-I120 HydrophobicContact CB-CG1 4.42Å; A116-S141 PolarHBondContact N-O 2.88Å; A116-E142 WeakPolarHBondContact O-CA 3.2Å; A116-F143 PolarHBondContact O-N 3.17Å
117I96.2Very high91.4Very high2 Ų241.4 Ų41.41%0.0125%0.253CS..SBendtrans-115128.8-179.9-58.3-176.2000110.1L41 M45 I83 I84 P86 R119 F143 L145L41-I117 HydrophobicContact CD1-CB 4.03Å; L41-I117 HydrophobicContact CD1-CD1 4.18Å; L41-I117 HydrophobicContact CD1-CG1 4.35Å; L41-I117 HydrophobicContact CD2-CB 3.99Å; L41-I117 HydrophobicContact CD2-CD1 4.49Å; L41-I117 HydrophobicContact CD2-CG2 3.9Å; M45-I117 HydrophobicContact CG-CD1 4.02Å; M45-I117 HydrophobicContact SD-CD1 3.35Å; M45-I117 WeakPolarHBondContact SD-CD1 3.5Å; I83-I117 HydrophobicContact CG2-CD1 3.6Å; I83-I117 HydrophobicContact CG2-CG1 4.27Å; I84-I117 PolarHBondContact O-N 3.18Å; P86-I117 WeakPolarHBondContact CD-O 3.43Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-F143 HydrophobicContact CD1-CD1 3.79Å; I117-F143 HydrophobicContact CD1-CE1 4.42Å; I117-F143 HydrophobicContact CG1-CB 4.31Å; I117-F143 HydrophobicContact CG1-CD1 4Å; I117-L145 HydrophobicContact CG2-CB 3.92Å
118P94Very high92.6Very high33 Ų3340.7 Ų40.721%0.21425%0.247CC..SBendcis-79.3-16.3-9.630.9-33.1000112.9A116 F143 P144 T146 Q177A116-P118 CarbonylContact O-C 3.55Å; P118-F143 CarbonylContact C-O 3.58Å; P118-F143 VanDerWaalsContact CA-O 3.31Å; P118-F143 WeakPolarHBondContact CA-O 3.31Å; P118-F143 CarbonylContact O-C 3.48Å; P118-P144 WeakPolarHBondContact O-CA 3.36Å; P118-T146 HydrophobicContact CB-CG2 4.39Å; P118-Q177 HydrophobicContact CB-CG 4.49Å; P118-Q177 VanDerWaalsContact CG-CD 3.4Å; P118-Q177 HydrophobicContact CG-CG 3.73Å
119R93.1Very high93.6Very high106 Ų10642.6 Ų42.640%0.424%0.237SC..  trans-151.6168.9-178.769.5176-155.7159.96.4111P86 I117 E142P86-R119 VanDerWaalsContact CB-O 3.23Å; P86-R119 WeakPolarHBondContact CB-O 3.2Å; P86-R119 WeakPolarHBondContact CD-O 3.16Å; P86-R119 WeakPolarHBondContact CG-O 3.49Å; I117-R119 VanDerWaalsContact C-N 3.34Å; R119-E142 WeakPolarHBondContact CB-OE2 3.22Å
120I93.5Very high94.1Very high9 Ų945.8 Ų45.85%0.04623%0.231CC..  trans-98.1126.4170.9-168.4174.2000110.8A116 C124 K125 L128 I140 E142A116-I120 HydrophobicContact CB-CB 3.72Å; A116-I120 HydrophobicContact CB-CG1 4.42Å; I120-C124 HydrophobicContact CD1-CB 4.42Å; I120-C124 HydrophobicContact CG1-CB 3.89Å; I120-K125 HydrophobicContact CD1-CG 3.95Å; I120-K125 HydrophobicContact CG1-CG 4.11Å; I120-K125 HydrophobicContact CG2-CD 3.87Å; I120-K125 HydrophobicContact CG2-CG 3.98Å; I120-L128 HydrophobicContact CD1-CD1 4.18Å; I120-I140 HydrophobicContact CD1-CG2 3.7Å; I120-E142 HydrophobicContact CB-CG 4.45Å; I120-E142 HydrophobicContact CG2-CG 3.88Å; I120-E142 VanDerWaalsContact CG2-OE1 3.23Å; I120-E142 WeakPolarHBondContact CG2-OE1 3.38Å
121S91.2Very high94.1Very high29 Ų2948.8 Ų48.820%0.20324%0.244CC..  trans-70.6151.6179.564.80000111.6P86 A123 C124 K125P86-S121 PolarHBondContact O-OG 3.45Å; S121-A123 PolarHBondContact O-N 3.36Å; S121-C124 PolarHBondContact O-N 3.32Å; S121-C124 VanDerWaalsContact O-N 3.15Å; S121-C124 WeakPolarHBondContact OG-CB 3.36Å; S121-C124 PolarHBondContact OG-N 2.87Å; S121-C124 PolarHBondContact OG-SG 3.34Å; S121-K125 PolarHBondContact O-N 3.34Å
122L92.2Very high93.9Very high134 Ų13453.2 Ų53.270%0.70226%0.262SS*.Hα-helixtrans-58.7-38174.2-176.963.3000111.1C124 K125 S126L122-C124 PolarHBondContact O-N 3.18Å; L122-K125 PolarHBondContact O-N 3.42Å; L122-S126 WeakPolarHBondContact O-CB 2.96Å; L122-S126 PolarHBondContact O-N 3.18Å; L122-S126 PolarHBondContact O-OG 3.17Å; L122-S126 VanDerWaalsContact O-OG 3.12Å
123A92.9Very high93.5Very high57 Ų5752.4 Ų52.447%0.47126%0.259SS..Hα-helixtrans-58.9-4517500000112.2V88 S121 S126 F127V88-A123 HydrophobicContact CG2-CB 4.22Å; S121-A123 PolarHBondContact O-N 3.36Å; A123-S126 PolarHBondContact O-N 3.21Å; A123-F127 WeakPolarHBondContact O-CB 3.31Å; A123-F127 PolarHBondContact O-N 2.98Å
124C94.6Very high93.1Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-66-42.6175.6-730000112.3P86 V91 I120 S121 L122 S126 F127 L128P86-C124 PolarHBondContact O-SG 3.2Å; V91-C124 HydrophobicContact CG2-CB 3.96Å; V91-C124 VanDerWaalsContact CG2-SG 3.59Å; I120-C124 HydrophobicContact CD1-CB 4.42Å; I120-C124 HydrophobicContact CG1-CB 3.89Å; S121-C124 PolarHBondContact O-N 3.32Å; S121-C124 VanDerWaalsContact O-N 3.15Å; S121-C124 WeakPolarHBondContact OG-CB 3.36Å; S121-C124 PolarHBondContact OG-N 2.87Å; S121-C124 PolarHBondContact OG-SG 3.34Å; L122-C124 PolarHBondContact O-N 3.18Å; C124-S126 VanDerWaalsContact C-N 3.33Å; C124-S126 PolarHBondContact O-N 3.45Å; C124-F127 PolarHBondContact O-N 2.92Å; C124-L128 WeakPolarHBondContact O-CG 3.46Å; C124-L128 PolarHBondContact O-N 3.14Å
125K93.1Very high92.8Very high74 Ų7461.7 Ų61.732%0.32231%0.308SS..Hα-helixtrans-57.9-44.7174.2-80.9171.5163.4143.80111.2I120 S121 L122 K129 E142I120-K125 HydrophobicContact CD1-CG 3.95Å; I120-K125 HydrophobicContact CG1-CG 4.11Å; I120-K125 HydrophobicContact CG2-CD 3.87Å; I120-K125 HydrophobicContact CG2-CG 3.98Å; S121-K125 PolarHBondContact O-N 3.34Å; L122-K125 PolarHBondContact O-N 3.42Å; K125-K129 WeakPolarHBondContact O-CG 3.47Å; K125-K129 PolarHBondContact O-N 3.2Å; K125-E142 IonicContact NZ-OE1 3.09Å; K125-E142 PolarHBondContact NZ-OE1 3.33Å
126S94.6Very high92.5Very high61 Ų6166.5 Ų66.543%0.42733%0.329SS..Hα-helixtrans-66.6-43.8177.4-65.40000112.3L122 A123 C124 L128 K129 E130L122-S126 WeakPolarHBondContact O-CB 2.96Å; L122-S126 PolarHBondContact O-N 3.18Å; L122-S126 PolarHBondContact O-OG 3.17Å; L122-S126 VanDerWaalsContact O-OG 3.12Å; A123-S126 PolarHBondContact O-N 3.21Å; C124-S126 VanDerWaalsContact C-N 3.33Å; C124-S126 PolarHBondContact O-N 3.45Å; S126-L128 PolarHBondContact O-N 3.42Å; S126-K129 WeakPolarHBondContact O-CB 3.47Å; S126-K129 PolarHBondContact O-N 2.92Å; S126-K129 VanDerWaalsContact O-N 3.14Å; S126-E130 PolarHBondContact O-N 3.37Å
127F94.3Very high92.3Very high34 Ų3467.3 Ų67.315%0.14933%0.333CS..Hα-helixtrans-60.8-43.9177.5-173.2-96.3000112.1V88 V91 D92 A123 C124 K129 E130 K131V88-F127 HydrophobicContact CG1-CD1 4.39Å; V88-F127 HydrophobicContact CG1-CD2 3.72Å; V88-F127 HydrophobicContact CG1-CE2 3.9Å; V88-F127 HydrophobicContact CG1-CG 3.97Å; V88-F127 HydrophobicContact CG1-CZ 4.31Å; V91-F127 HydrophobicContact CB-CD1 4.32Å; V91-F127 HydrophobicContact CG1-CD1 3.72Å; V91-F127 HydrophobicContact CG1-CE1 4.22Å; D92-F127 HydrophobicContact CB-CE1 4.09Å; D92-F127 HydrophobicContact CB-CZ 4.02Å; A123-F127 WeakPolarHBondContact O-CB 3.31Å; A123-F127 PolarHBondContact O-N 2.98Å; C124-F127 PolarHBondContact O-N 2.92Å; F127-K129 VanDerWaalsContact C-N 3.29Å; F127-K129 PolarHBondContact O-N 3.02Å; F127-E130 PolarHBondContact O-N 2.79Å; F127-K131 HydrophobicContact CD1-CG 4.18Å; F127-K131 HydrophobicContact CE1-CG 3.91Å; F127-K131 HydrophobicContact CE2-CG 4.4Å; F127-K131 HydrophobicContact CZ-CD 4.38Å; F127-K131 HydrophobicContact CZ-CG 4.04Å; F127-K131 WeakPolarHBondContact O-CB 3.49Å; F127-K131 VanDerWaalsContact O-CG 3.29Å; F127-K131 WeakPolarHBondContact O-CG 3.48Å; F127-K131 PolarHBondContact O-N 2.77Å
128L93.3Very high92.2Very high4 Ų470.3 Ų70.32%0.02136%0.358CS..Hα-helixtrans-60.6-37.2174.7-75.2173.9000112.9V91 I114 I120 C124 S126 K132 M133 I134 F137 I140V91-L128 HydrophobicContact CG1-CD1 4.49Å; V91-L128 HydrophobicContact CG1-CD2 3.49Å; V91-L128 VanDerWaalsContact CG1-CD2 3.49Å; V91-L128 HydrophobicContact CG1-CG 3.73Å; I114-L128 HydrophobicContact CD1-CD1 4.17Å; I120-L128 HydrophobicContact CD1-CD1 4.18Å; C124-L128 WeakPolarHBondContact O-CG 3.46Å; C124-L128 PolarHBondContact O-N 3.14Å; S126-L128 PolarHBondContact O-N 3.42Å; L128-K132 PolarHBondContact O-N 2.67Å; L128-M133 HydrophobicContact CD2-CB 4.14Å; L128-M133 PolarHBondContact O-N 2.95Å; L128-I134 HydrophobicContact CB-CB 4.42Å; L128-I134 HydrophobicContact CB-CD1 3.99Å; L128-I134 HydrophobicContact CD1-CD1 4.18Å; L128-I134 PolarHBondContact O-N 2.89Å; L128-F137 HydrophobicContact CD2-CE2 3.88Å; L128-I140 HydrophobicContact CD1-CD1 4.1Å
129K93.6Very high92.2Very high139 Ų13971.7 Ų71.760%0.60436%0.362SS*.Hα-helixtrans-68.8-47.4176.1-73.8175179.1-176.10111.5K125 S126 F127 K131 K132 I134K125-K129 WeakPolarHBondContact O-CG 3.47Å; K125-K129 PolarHBondContact O-N 3.2Å; S126-K129 WeakPolarHBondContact O-CB 3.47Å; S126-K129 PolarHBondContact O-N 2.92Å; S126-K129 VanDerWaalsContact O-N 3.14Å; F127-K129 VanDerWaalsContact C-N 3.29Å; F127-K129 PolarHBondContact O-N 3.02Å; K129-K131 VanDerWaalsContact C-N 3.32Å; K129-K131 PolarHBondContact O-N 3.2Å; K129-K132 WeakPolarHBondContact O-CA 3.4Å; K129-K132 PolarHBondContact O-N 3.2Å; K129-I134 HydrophobicContact CG-CB 4.31Å; K129-I134 HydrophobicContact CG-CG1 4.43Å; K129-I134 HydrophobicContact CG-CG2 4.2Å
130E93.1Very high92.3Very high147 Ų14769.2 Ų69.269%0.68736%0.356SS*.Hα-helixtrans-59.3-43.5179.3-171.9-171.3150.100111.5S126 F127 K132S126-E130 PolarHBondContact O-N 3.37Å; F127-E130 PolarHBondContact O-N 2.79Å; E130-K132 PolarHBondContact O-N 2.9Å
131K90.3Very high92.4Very high84 Ų8469.3 Ų69.337%0.36536%0.358SS..THydrogen-bonded Turntrans-74.91.1175.9-61-66.3-166-169.90113.7F127 K129 M133F127-K131 HydrophobicContact CD1-CG 4.18Å; F127-K131 HydrophobicContact CE1-CG 3.91Å; F127-K131 HydrophobicContact CE2-CG 4.4Å; F127-K131 HydrophobicContact CZ-CD 4.38Å; F127-K131 HydrophobicContact CZ-CG 4.04Å; F127-K131 WeakPolarHBondContact O-CB 3.49Å; F127-K131 VanDerWaalsContact O-CG 3.29Å; F127-K131 WeakPolarHBondContact O-CG 3.48Å; F127-K131 PolarHBondContact O-N 2.77Å; K129-K131 VanDerWaalsContact C-N 3.32Å; K129-K131 PolarHBondContact O-N 3.2Å; K131-M133 HydrophobicContact CB-CG 3.91Å; K131-M133 WeakPolarHBondContact O-CG 3.09Å; K131-M133 PolarHBondContact O-N 3.22Å
132K89.7Confident92.7Very high178 Ų17871.6 Ų71.677%0.77437%0.365SS*.THydrogen-bonded Turntrans54.929.3-177-56.3-179.8-179.3178.40113.5L128 K129 E130L128-K132 PolarHBondContact O-N 2.67Å; K129-K132 WeakPolarHBondContact O-CA 3.4Å; K129-K132 PolarHBondContact O-N 3.2Å; E130-K132 PolarHBondContact O-N 2.9Å
133M86.9Confident92.9Very high7 Ų765.2 Ų65.23%0.03433%0.332CS..  trans-95.3-17.7-178-66-61.6-71.400112.7Q95 L98 L128 K131 N135 K136 F137Q95-M133 HydrophobicContact CG-CE 4.39Å; Q95-M133 HydrophobicContact CG-CG 4.08Å; Q95-M133 HydrophobicContact CG-SD 4.42Å; L98-M133 HydrophobicContact CB-CE 3.53Å; L98-M133 HydrophobicContact CD1-CE 3.32Å; L98-M133 HydrophobicContact CG-CE 4.06Å; L128-M133 HydrophobicContact CD2-CB 4.14Å; L128-M133 PolarHBondContact O-N 2.95Å; K131-M133 HydrophobicContact CB-CG 3.91Å; K131-M133 WeakPolarHBondContact O-CG 3.09Å; K131-M133 PolarHBondContact O-N 3.22Å; M133-N135 PolarHBondContact O-N 3.05Å; M133-N135 VanDerWaalsContact O-N 3.14Å; M133-K136 HydrophobicContact CE-CD 3.7Å; M133-K136 WeakPolarHBondContact O-CB 3.35Å; M133-K136 PolarHBondContact O-N 2.79Å; M133-K136 HydrophobicContact SD-CD 3.71Å; M133-F137 HydrophobicContact CB-CE2 4.36Å; M133-F137 WeakPolarHBondContact O-CD2 3.27Å
134I88.2Confident93Very high46 Ų4664.6 Ų64.624%0.23632%0.323CS..G310 helixtrans-53.9-38.4-175.3-164.273.5000112.9L128 K129 K136 I140L128-I134 HydrophobicContact CB-CB 4.42Å; L128-I134 HydrophobicContact CB-CD1 3.99Å; L128-I134 HydrophobicContact CD1-CD1 4.18Å; L128-I134 PolarHBondContact O-N 2.89Å; K129-I134 HydrophobicContact CG-CB 4.31Å; K129-I134 HydrophobicContact CG-CG1 4.43Å; K129-I134 HydrophobicContact CG-CG2 4.2Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.32Å; I134-I140 HydrophobicContact CD1-CD1 3.43Å; I134-I140 VanDerWaalsContact CD1-CD1 3.43Å; I134-I140 HydrophobicContact CG1-CD1 4.44Å
135N89.8Confident93.1Very high151 Ų15164.7 Ų64.781%0.80732%0.323SS*.G310 helixtrans-80.7-6.8-178.9-63-20.4000113.9M133 F137M133-N135 PolarHBondContact O-N 3.05Å; M133-N135 VanDerWaalsContact O-N 3.14Å; N135-F137 VanDerWaalsContact C-N 3.35Å
136K90.3Very high93.2Very high101 Ų10161.4 Ų61.444%0.43931%0.309SS..G310 helixtrans-83.6-15.7175.8-65.5-168.5-178.7177.70112.7M133 I134M133-K136 HydrophobicContact CE-CD 3.7Å; M133-K136 WeakPolarHBondContact O-CB 3.35Å; M133-K136 PolarHBondContact O-N 2.79Å; M133-K136 HydrophobicContact SD-CD 3.71Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.32Å
137F93.7Very high93.3Very high18 Ų1858.5 Ų58.58%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-90.8128.2177.1-64.5-79.2000109.9F82 V94 L98 Y112 I114 L128 M133 N135 M139 I140F82-F137 HydrophobicContact CD2-CE1 4.03Å; F82-F137 HydrophobicContact CE2-CE1 4.14Å; V94-F137 HydrophobicContact CG1-CE1 4.22Å; V94-F137 HydrophobicContact CG1-CZ 3.83Å; L98-F137 HydrophobicContact CD1-CE1 3.77Å; L98-F137 HydrophobicContact CD1-CE2 4.01Å; L98-F137 HydrophobicContact CD1-CZ 3.3Å; Y112-F137 CarbonylContact O-C 3.55Å; Y112-F137 WeakPolarHBondContact O-CA 3.4Å; I114-F137 HydrophobicContact CD1-CD1 4.02Å; I114-F137 HydrophobicContact CD1-CD2 4.21Å; I114-F137 HydrophobicContact CD1-CE1 3.59Å; I114-F137 HydrophobicContact CD1-CE2 3.8Å; I114-F137 HydrophobicContact CD1-CG 4.3Å; I114-F137 HydrophobicContact CD1-CZ 3.44Å; I114-F137 VanDerWaalsContact CD1-CZ 3.44Å; I114-F137 HydrophobicContact CG1-CD1 3.79Å; I114-F137 HydrophobicContact CG1-CE1 3.5Å; I114-F137 HydrophobicContact CG1-CG 4.44Å; I114-F137 HydrophobicContact CG1-CZ 3.93Å; L128-F137 HydrophobicContact CD2-CE2 3.88Å; M133-F137 HydrophobicContact CB-CE2 4.36Å; M133-F137 WeakPolarHBondContact O-CD2 3.27Å; N135-F137 VanDerWaalsContact C-N 3.35Å; F137-M139 VanDerWaalsContact C-N 3.3Å; F137-I140 HydrophobicContact CB-CD1 4.09Å; F137-I140 HydrophobicContact CB-CG1 3.79Å; F137-I140 HydrophobicContact CD2-CD1 4.17Å; F137-I140 HydrophobicContact CG-CD1 4.31Å; F137-I140 HydrophobicContact CG-CG1 4.21Å
138A93.8Very high93.3Very high64 Ų6456.9 Ų56.953%0.52928%0.282SS..EExtended strand (participates in β ladder)trans-68.1-35.3172.100000110.8Q111 Y112Q111-A138 HydrophobicContact CB-CB 4.19Å; Q111-A138 HydrophobicContact CG-CB 4.38Å; Y112-A138 PolarHBondContact O-N 3.07Å
139M94.2Very high93.4Very high63 Ų6357.5 Ų57.531%0.3129%0.286SS..EExtended strand (participates in β ladder)trans-146.5138.7179.4-172.1172.8-177.200111.4Y25 A28 Q29 S113 I114 F137Y25-M139 HydrophobicContact CD1-CE 3.93Å; Y25-M139 HydrophobicContact CE1-CE 4.38Å; A28-M139 HydrophobicContact CB-SD 4.47Å; Q29-M139 PolarHBondContact NE2-SD 3.45Å; S113-M139 CarbonylContact C-O 3.54Å; S113-M139 WeakPolarHBondContact CA-O 3.39Å; S113-M139 WeakPolarHBondContact CB-O 3.41Å; I114-M139 PolarHBondContact N-O 2.9Å; F137-M139 VanDerWaalsContact C-N 3.3Å
140I95.5Very high93.3Very high54 Ų5451.5 Ų51.528%0.27726%0.261SS..EExtended strand (participates in β ladder)trans-127.1107.5168.1-59.6175.9000106.4I114 I120 L128 I134 F137I114-I140 HydrophobicContact CB-CG1 4.35Å; I114-I140 HydrophobicContact CB-CG2 4.3Å; I114-I140 HydrophobicContact CG2-CG2 4.44Å; I114-I140 CarbonylContact O-C 3.57Å; I114-I140 WeakPolarHBondContact O-CA 3.42Å; I120-I140 HydrophobicContact CD1-CG2 3.7Å; L128-I140 HydrophobicContact CD1-CD1 4.1Å; I134-I140 HydrophobicContact CD1-CD1 3.43Å; I134-I140 VanDerWaalsContact CD1-CD1 3.43Å; I134-I140 HydrophobicContact CG1-CD1 4.44Å; F137-I140 HydrophobicContact CB-CD1 4.09Å; F137-I140 HydrophobicContact CB-CG1 3.79Å; F137-I140 HydrophobicContact CD2-CD1 4.17Å; F137-I140 HydrophobicContact CG-CD1 4.31Å; F137-I140 HydrophobicContact CG-CG1 4.21Å
141S95.9Very high93.3Very high11 Ų1145 Ų458%0.07723%0.231CC..EExtended strand (participates in β ladder)trans-111.8159.5-179.556.70000112.2I114 A116I114-S141 PolarHBondContact O-N 3.41Å; I114-S141 PolarHBondContact O-OG 2.96Å; A116-S141 PolarHBondContact N-O 2.88Å
142E95.8Very high93.4Very high77 Ų7741.8 Ų41.836%0.3622%0.219SC..EExtended strand (participates in β ladder)trans-111.6123.5174.1-60.6-178.3-162.700106.2Y25 A116 R119 I120 K125Y25-E142 PolarHBondContact OH-O 3.22Å; Y25-E142 VanDerWaalsContact OH-O 3.1Å; A116-E142 WeakPolarHBondContact O-CA 3.2Å; R119-E142 WeakPolarHBondContact CB-OE2 3.22Å; I120-E142 HydrophobicContact CB-CG 4.45Å; I120-E142 HydrophobicContact CG2-CG 3.88Å; I120-E142 VanDerWaalsContact CG2-OE1 3.23Å; I120-E142 WeakPolarHBondContact CG2-OE1 3.38Å; K125-E142 IonicContact NZ-OE1 3.09Å; K125-E142 PolarHBondContact NZ-OE1 3.33Å
143F96.9Very high93.6Very high0 Ų034 Ų340%019%0.186CC..  trans-113.3102.2175.5172.4-130.6000108.3Y18 E21 F22 Y25 M45 I115 A116 I117 P118 L145Y18-F143 HydrophobicContact CD1-CE2 4.21Å; Y18-F143 HydrophobicContact CD1-CZ 4.23Å; Y18-F143 WeakPolarHBondContact O-CZ 3.32Å; E21-F143 HydrophobicContact CB-CE2 4.14Å; E21-F143 HydrophobicContact CG-CD2 4.17Å; E21-F143 HydrophobicContact CG-CE2 4.08Å; F22-F143 HydrophobicContact CB-CE1 3.91Å; F22-F143 HydrophobicContact CB-CE2 4.07Å; F22-F143 HydrophobicContact CB-CZ 3.66Å; F22-F143 AromaticContact CD2-CD1 3.76Å; F22-F143 HydrophobicContact CD2-CD1 3.76Å; F22-F143 AromaticContact CD2-CE1 3.71Å; F22-F143 HydrophobicContact CD2-CE1 3.71Å; F22-F143 HydrophobicContact CD2-CG 4.4Å; F22-F143 HydrophobicContact CD2-CZ 4.33Å; F22-F143 HydrophobicContact CG-CE1 4.18Å; F22-F143 HydrophobicContact CG-CZ 4.42Å; Y25-F143 HydrophobicContact CD2-CB 4.28Å; Y25-F143 HydrophobicContact CD2-CD2 4.27Å; Y25-F143 HydrophobicContact CD2-CG 4.47Å; Y25-F143 HydrophobicContact CE2-CB 4Å; Y25-F143 AromaticContact CE2-CD2 3.85Å; Y25-F143 HydrophobicContact CE2-CD2 3.85Å; Y25-F143 HydrophobicContact CE2-CG 4.27Å; M45-F143 HydrophobicContact CE-CE1 4.28Å; M45-F143 HydrophobicContact SD-CE1 4.08Å; I115-F143 HydrophobicContact CG2-CB 3.61Å; A116-F143 PolarHBondContact O-N 3.17Å; I117-F143 HydrophobicContact CD1-CD1 3.79Å; I117-F143 HydrophobicContact CD1-CE1 4.42Å; I117-F143 HydrophobicContact CG1-CB 4.31Å; I117-F143 HydrophobicContact CG1-CD1 4Å; P118-F143 CarbonylContact C-O 3.58Å; P118-F143 VanDerWaalsContact CA-O 3.31Å; P118-F143 WeakPolarHBondContact CA-O 3.31Å; P118-F143 CarbonylContact O-C 3.48Å; F143-L145 HydrophobicContact CD1-CB 4Å; F143-L145 HydrophobicContact CE1-CB 3.67Å; F143-L145 HydrophobicContact CE1-CD1 4.43Å; F143-L145 HydrophobicContact CE1-CD2 4.16Å; F143-L145 HydrophobicContact CE1-CG 4.3Å; F143-L145 HydrophobicContact CZ-CB 4.07Å; F143-L145 HydrophobicContact CZ-CD1 4.33Å; F143-L145 PolarHBondContact O-N 3.05Å
144P95.1Very high94Very high43 Ų4333.7 Ų33.728%0.27918%0.184SC..  trans-77.559.1-170.834-37.6000112.3Y18 E21 P118 T146Y18-P144 WeakPolarHBondContact CE1-O 3.26Å; E21-P144 WeakPolarHBondContact OE1-CD 3.47Å; P118-P144 WeakPolarHBondContact O-CA 3.36Å; P144-T146 PolarHBondContact O-N 3.43Å; P144-T146 VanDerWaalsContact O-N 3.11Å
145L96.3Very high94.5Very high3 Ų331.5 Ų31.52%0.01617%0.173CC..  trans-71.8101.7170.9-177.264.5000109.4Y18 H44 M45 V48 I117 F143 V148Y18-L145 HydrophobicContact CD1-CD1 3.77Å; Y18-L145 HydrophobicContact CD2-CD1 3.86Å; Y18-L145 HydrophobicContact CE1-CD1 4.18Å; Y18-L145 HydrophobicContact CE2-CD1 4.27Å; Y18-L145 HydrophobicContact CG-CD1 3.6Å; H44-L145 PolarHBondContact CE1-O 3.36Å; H44-L145 WeakPolarHBondContact NE2-CG 3.47Å; M45-L145 HydrophobicContact SD-CD2 3.56Å; M45-L145 VanDerWaalsContact SD-CD2 3.56Å; V48-L145 HydrophobicContact CG2-CD1 3.75Å; V48-L145 HydrophobicContact CG2-CD2 4.31Å; I117-L145 HydrophobicContact CG2-CB 3.92Å; F143-L145 HydrophobicContact CD1-CB 4Å; F143-L145 HydrophobicContact CE1-CB 3.67Å; F143-L145 HydrophobicContact CE1-CD1 4.43Å; F143-L145 HydrophobicContact CE1-CD2 4.16Å; F143-L145 HydrophobicContact CE1-CG 4.3Å; F143-L145 HydrophobicContact CZ-CB 4.07Å; F143-L145 HydrophobicContact CZ-CD1 4.33Å; F143-L145 PolarHBondContact O-N 3.05Å; L145-V148 HydrophobicContact CD1-CG1 3.6Å; L145-V148 HydrophobicContact CG-CG1 4.21Å
146T96Very high94.8Very high4 Ų424.3 Ų24.33%0.02514%0.135CC..  trans-111-75.4-17151.50000112.5Y18 P118 P144 M157 Q177 Q180 G181Y18-T146 PolarHBondContact OH-OG1 2.85Å; P118-T146 HydrophobicContact CB-CG2 4.39Å; P144-T146 PolarHBondContact O-N 3.43Å; P144-T146 VanDerWaalsContact O-N 3.11Å; T146-M157 VanDerWaalsContact O-CA 3.3Å; T146-M157 WeakPolarHBondContact O-CA 3.45Å; T146-M157 WeakPolarHBondContact O-CG 3.39Å; T146-Q177 WeakPolarHBondContact CB-O 3.31Å; T146-Q177 HydrophobicContact CG2-CB 3.97Å; T146-Q177 WeakPolarHBondContact CG2-O 3.48Å; T146-Q177 VanDerWaalsContact CG2-OE1 3.24Å; T146-Q180 HydrophobicContact CG2-CB 4.06Å; T146-G181 WeakPolarHBondContact OG1-CA 3.45Å; T146-G181 PolarHBondContact OG1-N 3.44Å
147I96.8Very high95.1Very high0 Ų020.5 Ų20.50%012%0.119CC..  trans-103.3126.9179.854171.1000110.2L14 Y18 L155 M157 F178 G181 F185 I716L14-I147 HydrophobicContact CD2-CD1 4.21Å; L14-I147 HydrophobicContact CD2-CG1 4.09Å; Y18-I147 WeakPolarHBondContact CE2-O 3.39Å; I147-L155 HydrophobicContact CB-CB 4.4Å; I147-L155 HydrophobicContact CD1-CD1 4.04Å; I147-M157 HydrophobicContact CG2-CG 3.61Å; I147-F178 HydrophobicContact CG2-CD2 4.43Å; I147-G181 VanDerWaalsContact CD1-C 3.43Å; I147-G181 VanDerWaalsContact CD1-O 3.23Å; I147-G181 WeakPolarHBondContact CD1-O 3.42Å; I147-F185 HydrophobicContact CD1-CB 4.42Å; I147-I716 HydrophobicContact CD1-CG2 4.04Å; I147-I716 HydrophobicContact CG2-CG2 4.02Å
148V95.2Very high95.2Very high0 Ų020 Ų200%012%0.116CC..EExtended strand (participates in β ladder)trans-117.8147.2178.4-67.60000111.5H44 V48 L145 V150 L155 S156 F270H44-V148 WeakPolarHBondContact NE2-CG1 3.38Å; V48-V148 HydrophobicContact CG2-CG1 3.98Å; L145-V148 HydrophobicContact CD1-CG1 3.6Å; L145-V148 HydrophobicContact CG-CG1 4.21Å; V148-V150 PolarHBondContact O-N 3.43Å; V148-L155 WeakPolarHBondContact O-CA 3.48Å; V148-S156 WeakPolarHBondContact CG2-O 3.4Å; V148-S156 PolarHBondContact N-O 2.77Å; V148-S156 PolarHBondContact O-N 3.45Å; V148-F270 HydrophobicContact CG2-CD1 4.07Å; V148-F270 HydrophobicContact CG2-CE1 3.99Å
149P94.5Very high95.2Very high17 Ų1718.9 Ų18.911%0.1110%0.102CC..EExtended strand (participates in β ladder)trans-61.7124.8169.3-20.232.3000111.4V4 I11 R15 L155V4-P149 HydrophobicContact CG1-CB 4.24Å; I11-P149 HydrophobicContact CD1-CB 4.11Å; I11-P149 HydrophobicContact CG1-CB 4.34Å; I11-P149 WeakPolarHBondContact O-CG 3.36Å; R15-P149 HydrophobicContact CB-CG 4.29Å; P149-L155 HydrophobicContact CB-CD2 4Å; P149-L155 HydrophobicContact CG-CD2 3.7Å
150V92.4Very high95.1Very high14 Ų1417 Ų179%0.0859%0.094CC..SBendtrans-109.2-33.4173.3-176.70000110.7V148 V154 E158 F720V148-V150 PolarHBondContact O-N 3.43Å; V150-V154 PolarHBondContact N-O 2.88Å; V150-E158 HydrophobicContact CG2-CG 4.44Å; V150-F720 HydrophobicContact CB-CE2 4.48Å; V150-F720 HydrophobicContact CG1-CE2 4.19Å; V150-F720 HydrophobicContact CG2-CE2 4.43Å
151E92.1Very high95Very high10 Ų1017.6 Ų17.65%0.04710%0.096CC..SBendtrans-132179171.1-68.4-71-161.800110.1I11 D153 V154 N290 S291 Y296 R300I11-E151 WeakPolarHBondContact CD1-O 3.45Å; E151-D153 PolarHBondContact O-N 3.41Å; E151-V154 HydrophobicContact CB-CB 3.99Å; E151-V154 HydrophobicContact CB-CG2 4Å; E151-V154 HydrophobicContact CG-CG2 4.46Å; E151-V154 PolarHBondContact N-O 2.88Å; E151-N290 WeakPolarHBondContact OE1-CA 3.33Å; E151-N290 WeakPolarHBondContact OE2-CA 3.42Å; E151-S291 WeakPolarHBondContact OE2-CB 3.02Å; E151-S291 PolarHBondContact OE2-N 2.71Å; E151-S291 PolarHBondContact OE2-OG 2.96Å; E151-Y296 WeakPolarHBondContact OE1-CE1 3.39Å; E151-R300 IonicContact OE1-NH1 3.42Å; E151-R300 PolarHBondContact OE1-NH1 2.95Å; E151-R300 VanDerWaalsContact OE1-NH1 3.1Å; E151-R300 IonicContact OE2-NH1 3.14Å; E151-R300 PolarHBondContact OE2-NH1 3.46Å
152C91.9Very high95Very high16 Ų1617.3 Ų17.311%0.1089%0.094CC..SBendtrans-66.2-16.1177.1600000114.6H3 I11H3-C152 WeakPolarHBondContact O-CB 3.46Å; I11-C152 VanDerWaalsContact CD1-C 3.41Å; I11-C152 WeakPolarHBondContact CD1-O 3.37Å
153D94.6Very high95Very high15 Ų1513.7 Ų13.78%0.088%0.077CC..SBendtrans-133.58.1-175.461.6-25.8000112.4E151 R701 V714 V715E151-D153 PolarHBondContact O-N 3.41Å; D153-R701 IonicContact OD1-CZ 3.9Å; D153-R701 IonicContact OD1-NE 2.66Å; D153-R701 IonicContact OD1-NH2 3.75Å; D153-R701 PolarHBondContact OD1-NH2 3.37Å; D153-R701 IonicContact OD2-CZ 3.92Å; D153-R701 IonicContact OD2-NE 2.86Å; D153-R701 PolarHBondContact OD2-NE 3.44Å; D153-R701 IonicContact OD2-NH2 2.86Å; D153-R701 PolarHBondContact OD2-NH2 3.27Å; D153-V714 CarbonylContact O-C 3.54Å; D153-V714 WeakPolarHBondContact O-CA 3.25Å; D153-V715 PolarHBondContact O-N 2.62Å
154V96.3Very high94.8Very high1 Ų113.9 Ų13.91%0.0068%0.079CC..EExtended strand (participates in β ladder)trans-130.7123.5-176.9-170.60000112.4V150 E151 I697 V715 F720V150-V154 PolarHBondContact N-O 2.88Å; E151-V154 HydrophobicContact CB-CB 3.99Å; E151-V154 HydrophobicContact CB-CG2 4Å; E151-V154 HydrophobicContact CG-CG2 4.46Å; E151-V154 PolarHBondContact N-O 2.88Å; V154-I697 HydrophobicContact CG1-CD1 4Å; V154-I697 HydrophobicContact CG2-CD1 3.94Å; V154-I697 HydrophobicContact CG2-CG2 4Å; V154-V715 CarbonylContact C-O 3.56Å; V154-V715 WeakPolarHBondContact CA-O 3.18Å; V154-V715 HydrophobicContact CG1-CB 4.34Å; V154-V715 HydrophobicContact CG2-CB 4.31Å; V154-F720 HydrophobicContact CG1-CZ 3.87Å
155L97.3Very high94.7Very high0 Ų013.2 Ų13.20%07%0.073CC..EExtended strand (participates in β ladder)trans-108.2137170.6-59.1176.9000109.8I11 L14 I147 V148 P149 F185 V715 I716 T717I11-L155 HydrophobicContact CB-CD2 4.2Å; I11-L155 HydrophobicContact CD1-CD2 4.04Å; L14-L155 HydrophobicContact CD2-CD1 3.81Å; L14-L155 HydrophobicContact CD2-CD2 3.69Å; L14-L155 HydrophobicContact CD2-CG 4.37Å; I147-L155 HydrophobicContact CB-CB 4.4Å; I147-L155 HydrophobicContact CD1-CD1 4.04Å; V148-L155 WeakPolarHBondContact O-CA 3.48Å; P149-L155 HydrophobicContact CB-CD2 4Å; P149-L155 HydrophobicContact CG-CD2 3.7Å; L155-F185 HydrophobicContact CD1-CD2 3.67Å; L155-F185 HydrophobicContact CD1-CE2 3.98Å; L155-V715 PolarHBondContact N-O 3Å; L155-I716 HydrophobicContact CB-CB 4.42Å; L155-I716 HydrophobicContact CB-CG1 4.13Å; L155-I716 HydrophobicContact CB-CG2 4.11Å; L155-I716 HydrophobicContact CD1-CD1 3.94Å; L155-I716 HydrophobicContact CD1-CG1 4.06Å; L155-I716 HydrophobicContact CG-CG1 4.48Å; L155-I716 CarbonylContact O-C 3.55Å; L155-I716 VanDerWaalsContact O-CA 3.28Å; L155-I716 WeakPolarHBondContact O-CA 3.25Å; L155-T717 PolarHBondContact O-N 2.82Å
156S97.2Very high94.5Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-143.7144.6-178.1-1730000112.1V148 E158 T717V148-S156 WeakPolarHBondContact CG2-O 3.4Å; V148-S156 PolarHBondContact N-O 2.77Å; V148-S156 PolarHBondContact O-N 3.45Å; S156-E158 VanDerWaalsContact C-N 3.28Å; S156-E158 PolarHBondContact OG-N 3Å; S156-T717 WeakPolarHBondContact CA-O 3.49Å; S156-T717 WeakPolarHBondContact OG-CG2 3.3Å
157M96.5Very high94.3Very high21 Ų2113.7 Ų13.710%0.1038%0.075CC..  trans-81-10.7163.7-58.6170.946.700112.9T146 I147 D159 G174 Q177 F178 T717 T718T146-M157 VanDerWaalsContact O-CA 3.3Å; T146-M157 WeakPolarHBondContact O-CA 3.45Å; T146-M157 WeakPolarHBondContact O-CG 3.39Å; I147-M157 HydrophobicContact CG2-CG 3.61Å; M157-D159 PolarHBondContact O-N 3.31Å; M157-G174 WeakPolarHBondContact CE-O 3.19Å; M157-Q177 HydrophobicContact CE-CB 3.62Å; M157-Q177 HydrophobicContact SD-CB 4.4Å; M157-F178 HydrophobicContact CG-CD2 4.31Å; M157-F178 WeakPolarHBondContact SD-CA 3.35Å; M157-F178 HydrophobicContact SD-CB 3.59Å; M157-F178 VanDerWaalsContact SD-CB 3.59Å; M157-F178 HydrophobicContact SD-CD2 3.69Å; M157-F178 HydrophobicContact SD-CG 4.14Å; M157-F178 PolarHBondContact SD-N 2.84Å; M157-T717 PolarHBondContact N-O 3.24Å; M157-T718 WeakPolarHBondContact CB-O 3.5Å; M157-T718 HydrophobicContact SD-CG2 4.32Å
158E94.9Very high94Very high6 Ų614.9 Ų14.93%0.0288%0.081CC..  trans56.933-179.6-75.6-87-173.600113.3V150 S156 R269 F270 T718V150-E158 HydrophobicContact CG2-CG 4.44Å; S156-E158 VanDerWaalsContact C-N 3.28Å; S156-E158 PolarHBondContact OG-N 3Å; E158-R269 PolarHBondContact O-NH2 3.48Å; E158-R269 VanDerWaalsContact OE2-CD 3.28Å; E158-R269 WeakPolarHBondContact OE2-CD 3.36Å; E158-R269 IonicContact OE2-CZ 3.07Å; E158-R269 IonicContact OE2-NE 2.79Å; E158-R269 PolarHBondContact OE2-NE 3.28Å; E158-F270 HydrophobicContact CB-CD1 4.25Å; E158-F270 HydrophobicContact CB-CE1 3.55Å; E158-F270 HydrophobicContact CB-CE2 3.91Å; E158-F270 HydrophobicContact CB-CZ 3.37Å; E158-F270 VanDerWaalsContact CD-N 3.35Å; E158-F270 HydrophobicContact CG-CD1 3.72Å; E158-F270 HydrophobicContact CG-CD2 4.38Å; E158-F270 HydrophobicContact CG-CE1 3.51Å; E158-F270 HydrophobicContact CG-CE2 4.23Å; E158-F270 HydrophobicContact CG-CG 4.15Å; E158-F270 HydrophobicContact CG-CZ 3.81Å; E158-F270 WeakPolarHBondContact OE1-CA 3.39Å; E158-F270 PolarHBondContact OE1-N 2.81Å; E158-T718 PolarHBondContact N-O 2.68Å
159D94.5Very high93.7Very high42 Ų4217.8 Ų17.823%0.22510%0.101CC..  trans-109.891.9175.2-177.814.7000111.7M157 Q161 C162 T718M157-D159 PolarHBondContact O-N 3.31Å; D159-Q161 PolarHBondContact O-N 2.74Å; D159-Q161 WeakPolarHBondContact OD1-CA 3.48Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.28Å; D159-Q161 PolarHBondContact OD1-N 2.83Å; D159-C162 HydrophobicContact CB-CB 4.42Å; D159-C162 WeakPolarHBondContact O-CB 3.46Å; D159-C162 PolarHBondContact O-N 3.35Å; D159-C162 PolarHBondContact OD1-N 3.11Å; D159-T718 CarbonylContact C-O 3.56Å; D159-T718 WeakPolarHBondContact CA-O 3.38Å; D159-T718 PolarHBondContact N-O 3.36Å
160S92.7Very high93.3Very high22 Ų2221.2 Ų21.215%0.15412%0.115CC..THydrogen-bonded Turntrans-68.1-14.2174.960.40000113.7F720S160-F720 WeakPolarHBondContact CB-O 3.32Å
161Q93.2Very high93.2Very high67 Ų6725 Ų2531%0.31313%0.128SC..THydrogen-bonded Turntrans-89-7.2179.6-58.1-63-62.700112.5D159 F163 A164 N165 S729D159-Q161 PolarHBondContact O-N 2.74Å; D159-Q161 WeakPolarHBondContact OD1-CA 3.48Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.28Å; D159-Q161 PolarHBondContact OD1-N 2.83Å; Q161-F163 PolarHBondContact O-N 3.45Å; Q161-F163 VanDerWaalsContact O-N 3.16Å; Q161-A164 PolarHBondContact O-N 3.31Å; Q161-N165 WeakPolarHBondContact CB-ND2 3.12Å; Q161-N165 VanDerWaalsContact O-CB 3.28Å; Q161-N165 WeakPolarHBondContact O-CB 3.35Å; Q161-N165 PolarHBondContact O-N 2.99Å; Q161-N165 PolarHBondContact O-ND2 3.48Å; Q161-S729 VanDerWaalsContact NE2-CB 3.29Å
162C94.8Very high93.1Very high5 Ų529.5 Ų29.53%0.03415%0.149CC..Hα-helixtrans-56.1-37-174.5-174.40000112.6D159 Y166 T718D159-C162 HydrophobicContact CB-CB 4.42Å; D159-C162 WeakPolarHBondContact O-CB 3.46Å; D159-C162 PolarHBondContact O-N 3.35Å; D159-C162 PolarHBondContact OD1-N 3.11Å; C162-Y166 WeakPolarHBondContact O-CB 3.2Å; C162-Y166 PolarHBondContact O-N 2.64Å; C162-T718 HydrophobicContact CB-CG2 4.35Å
163F95.1Very high93.1Very high2 Ų231.8 Ų31.81%0.00916%0.16CC..Hα-helixtrans-62.4-57.2176.7178.9-99.2000111.6Q161 N165 Y166 S167 R244 A245 V450 F726 L730Q161-F163 PolarHBondContact O-N 3.45Å; Q161-F163 VanDerWaalsContact O-N 3.16Å; F163-N165 PolarHBondContact O-N 3.3Å; F163-Y166 PolarHBondContact O-N 3.23Å; F163-S167 WeakPolarHBondContact CZ-OG 3.16Å; F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.16Å; F163-S167 PolarHBondContact O-OG 3.35Å; F163-R244 HydrophobicContact CD2-CB 3.83Å; F163-R244 HydrophobicContact CD2-CG 4.25Å; F163-R244 HydrophobicContact CE2-CB 4.11Å; F163-R244 HydrophobicContact CE2-CG 4.45Å; F163-A245 HydrophobicContact CE2-CB 4.49Å; F163-V450 HydrophobicContact CE1-CG1 3.83Å; F163-V450 HydrophobicContact CE1-CG2 4.44Å; F163-V450 HydrophobicContact CZ-CG1 3.69Å; F163-F726 HydrophobicContact CB-CE2 4.4Å; F163-F726 HydrophobicContact CD1-CD2 4.34Å; F163-F726 AromaticContact CD1-CE2 3.42Å; F163-F726 HydrophobicContact CD1-CE2 3.42Å; F163-F726 VanDerWaalsContact CD1-CE2 3.42Å; F163-F726 AromaticContact CD1-CZ 3.98Å; F163-F726 HydrophobicContact CD1-CZ 3.98Å; F163-F726 HydrophobicContact CD2-CE2 4.45Å; F163-F726 AromaticContact CE1-CE2 3.68Å; F163-F726 HydrophobicContact CE1-CE2 3.68Å; F163-F726 AromaticContact CE1-CZ 3.72Å; F163-F726 HydrophobicContact CE1-CZ 3.72Å; F163-F726 AromaticContact CG-CE2 3.85Å; F163-F726 HydrophobicContact CG-CE2 3.85Å; F163-F726 HydrophobicContact CZ-CE2 4.3Å; F163-F726 HydrophobicContact CZ-CZ 4.18Å; F163-L730 HydrophobicContact CD1-CD2 4.21Å; F163-L730 HydrophobicContact CE1-CD2 4.14Å
164A94.2Very high93Very high4 Ų431.4 Ų31.43%0.03316%0.16CC..Hα-helixtrans-62.3-43.1-178.700000112.4Q161 Y166 S167 I168 S169 S729 L730Q161-A164 PolarHBondContact O-N 3.31Å; A164-Y166 VanDerWaalsContact C-N 3.26Å; A164-Y166 PolarHBondContact O-N 2.66Å; A164-S167 PolarHBondContact O-N 3.18Å; A164-I168 HydrophobicContact CB-CD1 4.26Å; A164-I168 WeakPolarHBondContact O-CB 3.16Å; A164-I168 PolarHBondContact O-N 3.12Å; A164-S169 PolarHBondContact O-N 3.18Å; A164-S729 WeakPolarHBondContact CB-O 3.44Å; A164-L730 HydrophobicContact CB-CD2 4.02Å
165N92.9Very high92.9Very high28 Ų2831.4 Ų31.415%0.1516%0.16CC..Hα-helixtrans-57.9-40.4178.7-70.2-21.4000112.2Q161 F163 S169 E170 R171Q161-N165 WeakPolarHBondContact CB-ND2 3.12Å; Q161-N165 VanDerWaalsContact O-CB 3.28Å; Q161-N165 WeakPolarHBondContact O-CB 3.35Å; Q161-N165 PolarHBondContact O-N 2.99Å; Q161-N165 PolarHBondContact O-ND2 3.48Å; F163-N165 PolarHBondContact O-N 3.3Å; N165-S169 CarbonylContact O-C 3.58Å; N165-S169 VanDerWaalsContact O-CB 3.31Å; N165-S169 WeakPolarHBondContact O-CB 3.48Å; N165-S169 PolarHBondContact O-N 3.3Å; N165-E170 PolarHBondContact O-N 3.19Å; N165-R171 PolarHBondContact ND2-NH2 3.4Å; N165-R171 VanDerWaalsContact ND2-NH2 3.12Å; N165-R171 PolarHBondContact O-N 3.14Å; N165-R171 PolarHBondContact OD1-NH2 2.92Å
166Y92.2Very high92.9Very high14 Ų1435.3 Ų35.36%0.05518%0.175CC..Hα-helixtrans-84.2-36.6179-169.9-161.6000112.7C162 F163 A164 E170 R171 Q172 V175 K201 L487C162-Y166 WeakPolarHBondContact O-CB 3.2Å; C162-Y166 PolarHBondContact O-N 2.64Å; F163-Y166 PolarHBondContact O-N 3.23Å; A164-Y166 VanDerWaalsContact C-N 3.26Å; A164-Y166 PolarHBondContact O-N 2.66Å; Y166-E170 WeakPolarHBondContact O-CA 3.23Å; Y166-R171 WeakPolarHBondContact CA-O 3.47Å; Y166-Q172 HydrophobicContact CD2-CG 4.06Å; Y166-Q172 HydrophobicContact CE2-CG 3.55Å; Y166-V175 HydrophobicContact CD1-CB 4.43Å; Y166-V175 HydrophobicContact CD1-CG2 3.38Å; Y166-V175 HydrophobicContact CE1-CB 4.33Å; Y166-V175 HydrophobicContact CE1-CG2 3.51Å; Y166-V175 HydrophobicContact CG-CG2 4.24Å; Y166-K201 HydrophobicContact CD1-CB 4.06Å; Y166-K201 HydrophobicContact CD1-CD 3.35Å; Y166-K201 HydrophobicContact CD1-CG 3.64Å; Y166-K201 HydrophobicContact CE1-CB 3.51Å; Y166-K201 HydrophobicContact CE1-CD 3.57Å; Y166-K201 HydrophobicContact CE1-CG 3.23Å; Y166-K201 HydrophobicContact CG-CD 4.22Å; Y166-L487 HydrophobicContact CD2-CD2 4.27Å; Y166-L487 HydrophobicContact CE2-CD2 3.6Å
167S91.8Very high92.8Very high4 Ų435.9 Ų35.93%0.02818%0.178CC..Hα-helixtrans-72.6-45.6-179.1-670000113.9F163 A164 K201 L491F163-S167 WeakPolarHBondContact CZ-OG 3.16Å; F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.16Å; F163-S167 PolarHBondContact O-OG 3.35Å; A164-S167 PolarHBondContact O-N 3.18Å; S167-K201 PolarHBondContact OG-NZ 2.7Å; S167-L491 VanDerWaalsContact OG-CD2 3.26Å; S167-L491 WeakPolarHBondContact OG-CD2 3.46Å
168I90.3Very high92.9Very high25 Ų2534.9 Ų34.913%0.12817%0.173CC..THydrogen-bonded Turntrans-102.5-49.4-169-61.9166.8000110A164 E170 N446 V450 L730A164-I168 HydrophobicContact CB-CD1 4.26Å; A164-I168 WeakPolarHBondContact O-CB 3.16Å; A164-I168 PolarHBondContact O-N 3.12Å; I168-E170 VanDerWaalsContact C-N 3.3Å; I168-N446 HydrophobicContact CD1-CB 3.78Å; I168-N446 WeakPolarHBondContact CG2-OD1 3.37Å; I168-V450 HydrophobicContact CD1-CG2 4.34Å; I168-V450 HydrophobicContact CG1-CG2 3.99Å; I168-L730 HydrophobicContact CD1-CD2 3.48Å; I168-L730 VanDerWaalsContact CD1-CD2 3.48Å; I168-L730 HydrophobicContact CG1-CD2 4.49Å
169S87.8Confident93.1Very high60 Ų6034.6 Ų34.642%0.4217%0.172SC..SBendtrans-85.3-4.2-178.5-47.40000113.3A164 N165 R171A164-S169 PolarHBondContact O-N 3.18Å; N165-S169 CarbonylContact O-C 3.58Å; N165-S169 VanDerWaalsContact O-CB 3.31Å; N165-S169 WeakPolarHBondContact O-CB 3.48Å; N165-S169 PolarHBondContact O-N 3.3Å; S169-R171 WeakPolarHBondContact O-CG 3.4Å; S169-R171 PolarHBondContact O-N 3.48Å; S169-R171 VanDerWaalsContact O-N 3.09Å
170E87.4Confident93.2Very high89 Ų8935.1 Ų35.142%0.41617%0.173SC..  trans54.126.4-177.4-67.2171.2-13700114.3N165 Y166 I168 S485N165-E170 PolarHBondContact O-N 3.19Å; Y166-E170 WeakPolarHBondContact O-CA 3.23Å; I168-E170 VanDerWaalsContact C-N 3.3Å; E170-S485 WeakPolarHBondContact OE1-CB 3.36Å; E170-S485 PolarHBondContact OE1-OG 3.09Å; E170-S485 WeakPolarHBondContact OE2-CB 3.46Å; E170-S485 PolarHBondContact OE2-OG 3.23Å
171R90.2Very high93.4Very high95 Ų9534 Ų3436%0.35817%0.165SC..  trans-90121.7-179-54.8-173.2-69.8107.9-16.4110.2N165 Y166 S169 D173N165-R171 PolarHBondContact ND2-NH2 3.4Å; N165-R171 VanDerWaalsContact ND2-NH2 3.12Å; N165-R171 PolarHBondContact O-N 3.14Å; N165-R171 PolarHBondContact OD1-NH2 2.92Å; Y166-R171 WeakPolarHBondContact CA-O 3.47Å; S169-R171 WeakPolarHBondContact O-CG 3.4Å; S169-R171 PolarHBondContact O-N 3.48Å; S169-R171 VanDerWaalsContact O-N 3.09Å; R171-D173 VanDerWaalsContact C-N 3.35Å; R171-D173 WeakPolarHBondContact CB-OD1 3.26Å; R171-D173 IonicContact CZ-OD1 2.94Å; R171-D173 VanDerWaalsContact NH1-CG 3.3Å; R171-D173 IonicContact NH1-OD1 2.69Å; R171-D173 PolarHBondContact NH1-OD1 2.79Å; R171-D173 IonicContact NH1-OD2 3.28Å; R171-D173 PolarHBondContact NH1-OD2 2.84Å; R171-D173 VanDerWaalsContact NH1-OD2 3.07Å
172Q90.6Very high93.7Very high104 Ų10430.9 Ų30.949%0.48615%0.15SC..  trans-91.86.7-178.2-61-171.9-2.600113.4Y166 V175 Y176Y166-Q172 HydrophobicContact CD2-CG 4.06Å; Y166-Q172 HydrophobicContact CE2-CG 3.55Å; Q172-V175 PolarHBondContact O-N 2.86Å; Q172-Y176 WeakPolarHBondContact O-CB 3.39Å; Q172-Y176 PolarHBondContact O-N 2.79Å
173D91.3Very high93.8Very high63 Ų6331.7 Ų31.734%0.33715%0.154SC..Hα-helixtrans-61.7-47.2-17756.2-60.5000111.9R171 V175 Y176 Q177R171-D173 VanDerWaalsContact C-N 3.35Å; R171-D173 WeakPolarHBondContact CB-OD1 3.26Å; R171-D173 IonicContact CZ-OD1 2.94Å; R171-D173 VanDerWaalsContact NH1-CG 3.3Å; R171-D173 IonicContact NH1-OD1 2.69Å; R171-D173 PolarHBondContact NH1-OD1 2.79Å; R171-D173 IonicContact NH1-OD2 3.28Å; R171-D173 PolarHBondContact NH1-OD2 2.84Å; R171-D173 VanDerWaalsContact NH1-OD2 3.07Å; D173-V175 VanDerWaalsContact C-N 3.35Å; D173-V175 PolarHBondContact O-N 2.85Å; D173-Y176 PolarHBondContact O-N 3.47Å; D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 3.39Å
174G92.8Very high93.8Very high7 Ų734.3 Ų34.37%0.07216%0.164CC..Hα-helixtrans-59.3-44.4177.300000112.5M157 Q177 F178M157-G174 WeakPolarHBondContact CE-O 3.19Å; G174-Q177 PolarHBondContact O-N 2.91Å; G174-F178 PolarHBondContact O-N 3.17Å
175V94.2Very high94Very high2 Ų234.1 Ų34.11%0.01216%0.162CC..Hα-helixtrans-65-40.9176.8161.40000112.5Y166 Q172 D173 Q177 F178 V179 V205 M208 V689Y166-V175 HydrophobicContact CD1-CB 4.43Å; Y166-V175 HydrophobicContact CD1-CG2 3.38Å; Y166-V175 HydrophobicContact CE1-CB 4.33Å; Y166-V175 HydrophobicContact CE1-CG2 3.51Å; Y166-V175 HydrophobicContact CG-CG2 4.24Å; Q172-V175 PolarHBondContact O-N 2.86Å; D173-V175 VanDerWaalsContact C-N 3.35Å; D173-V175 PolarHBondContact O-N 2.85Å; V175-Q177 VanDerWaalsContact C-N 3.34Å; V175-Q177 PolarHBondContact O-N 2.96Å; V175-F178 WeakPolarHBondContact O-CB 3.45Å; V175-F178 PolarHBondContact O-N 2.96Å; V175-V179 WeakPolarHBondContact O-CG2 3.38Å; V175-V179 PolarHBondContact O-N 3.14Å; V175-V205 HydrophobicContact CG1-CG2 3.66Å; V175-V205 HydrophobicContact CG2-CG2 4.49Å; V175-M208 HydrophobicContact CG1-CE 4.34Å; V175-V689 HydrophobicContact CG2-CG1 4.15Å
176Y95.8Very high94.1Very high81 Ų8133 Ų3332%0.31816%0.156SC..Hα-helixtrans-61.7-42.7174.2175.6-93.3000111.6Q172 D173 F178 V179 Q180 M208 M212Q172-Y176 WeakPolarHBondContact O-CB 3.39Å; Q172-Y176 PolarHBondContact O-N 2.79Å; D173-Y176 PolarHBondContact O-N 3.47Å; Y176-F178 VanDerWaalsContact C-N 3.32Å; Y176-F178 PolarHBondContact O-N 3.19Å; Y176-V179 PolarHBondContact O-N 2.94Å; Y176-Q180 HydrophobicContact CD1-CG 4.17Å; Y176-Q180 HydrophobicContact CE1-CG 3.77Å; Y176-Q180 VanDerWaalsContact CZ-NE2 3.31Å; Y176-Q180 WeakPolarHBondContact O-CG 3.32Å; Y176-Q180 PolarHBondContact O-N 3.28Å; Y176-Q180 PolarHBondContact OH-NE2 3.28Å; Y176-M208 HydrophobicContact CD2-SD 3.85Å; Y176-M212 HydrophobicContact CE2-SD 4.42Å
177Q96.2Very high94.2Very high13 Ų1334.5 Ų34.56%0.06117%0.169CC..Hα-helixtrans-65.4-36.3175.3-63.7-50.4-35.400112.2P118 T146 M157 D173 G174 V175 V179 Q180 G181P118-Q177 HydrophobicContact CB-CG 4.49Å; P118-Q177 VanDerWaalsContact CG-CD 3.4Å; P118-Q177 HydrophobicContact CG-CG 3.73Å; T146-Q177 WeakPolarHBondContact CB-O 3.31Å; T146-Q177 HydrophobicContact CG2-CB 3.97Å; T146-Q177 WeakPolarHBondContact CG2-O 3.48Å; T146-Q177 VanDerWaalsContact CG2-OE1 3.24Å; M157-Q177 HydrophobicContact CE-CB 3.62Å; M157-Q177 HydrophobicContact SD-CB 4.4Å; D173-Q177 VanDerWaalsContact O-CG 3.31Å; D173-Q177 WeakPolarHBondContact O-CG 3.35Å; D173-Q177 PolarHBondContact O-N 3.39Å; G174-Q177 PolarHBondContact O-N 2.91Å; V175-Q177 VanDerWaalsContact C-N 3.34Å; V175-Q177 PolarHBondContact O-N 2.96Å; Q177-V179 VanDerWaalsContact C-N 3.34Å; Q177-V179 PolarHBondContact O-N 3.25Å; Q177-Q180 WeakPolarHBondContact O-CB 3.44Å; Q177-Q180 PolarHBondContact O-N 3.18Å; Q177-G181 PolarHBondContact O-N 3.4Å
178F98.3Very high94.3Very high0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-60.8-45173.6-168.5-111.9000111.3I147 M157 G174 V175 Y176 G181 L182 V205 L241 V689 I716 T718I147-F178 HydrophobicContact CG2-CD2 4.43Å; M157-F178 HydrophobicContact CG-CD2 4.31Å; M157-F178 WeakPolarHBondContact SD-CA 3.35Å; M157-F178 HydrophobicContact SD-CB 3.59Å; M157-F178 VanDerWaalsContact SD-CB 3.59Å; M157-F178 HydrophobicContact SD-CD2 3.69Å; M157-F178 HydrophobicContact SD-CG 4.14Å; M157-F178 PolarHBondContact SD-N 2.84Å; G174-F178 PolarHBondContact O-N 3.17Å; V175-F178 WeakPolarHBondContact O-CB 3.45Å; V175-F178 PolarHBondContact O-N 2.96Å; Y176-F178 VanDerWaalsContact C-N 3.32Å; Y176-F178 PolarHBondContact O-N 3.19Å; F178-G181 WeakPolarHBondContact O-CA 3.37Å; F178-G181 PolarHBondContact O-N 3.22Å; F178-G181 VanDerWaalsContact O-N 3.13Å; F178-L182 HydrophobicContact CD1-CD1 4.1Å; F178-L182 HydrophobicContact CE1-CD1 3.93Å; F178-L182 HydrophobicContact CE1-CG 4.43Å; F178-L182 WeakPolarHBondContact O-CG 3.43Å; F178-L182 PolarHBondContact O-N 3.15Å; F178-V205 HydrophobicContact CD1-CG1 3.93Å; F178-V205 HydrophobicContact CD1-CG2 4.16Å; F178-V205 HydrophobicContact CE1-CG1 4.2Å; F178-L241 HydrophobicContact CE1-CD2 4.03Å; F178-V689 HydrophobicContact CD1-CG2 4.29Å; F178-V689 HydrophobicContact CE1-CG2 3.93Å; F178-I716 HydrophobicContact CE2-CG2 3.7Å; F178-I716 HydrophobicContact CZ-CB 4.41Å; F178-I716 HydrophobicContact CZ-CG2 3.98Å; F178-T718 HydrophobicContact CB-CG2 4.17Å; F178-T718 HydrophobicContact CD2-CG2 3.67Å; F178-T718 HydrophobicContact CE2-CG2 4.14Å; F178-T718 HydrophobicContact CG-CG2 3.88Å
179V98.4Very high94.5Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-63.9-41175.4177.10000111.6V175 Y176 Q177 G181 L182 M183 V205 M208 L209 M212V175-V179 WeakPolarHBondContact O-CG2 3.38Å; V175-V179 PolarHBondContact O-N 3.14Å; Y176-V179 PolarHBondContact O-N 2.94Å; Q177-V179 VanDerWaalsContact C-N 3.34Å; Q177-V179 PolarHBondContact O-N 3.25Å; V179-G181 VanDerWaalsContact C-N 3.25Å; V179-G181 PolarHBondContact O-N 3.47Å; V179-L182 PolarHBondContact O-N 3.45Å; V179-L182 VanDerWaalsContact O-N 3.13Å; V179-M183 WeakPolarHBondContact O-CG 3.35Å; V179-M183 PolarHBondContact O-N 3.45Å; V179-V205 HydrophobicContact CG2-CB 4.24Å; V179-V205 HydrophobicContact CG2-CG1 3.85Å; V179-V205 HydrophobicContact CG2-CG2 4.32Å; V179-M208 HydrophobicContact CB-CG 4.42Å; V179-M208 HydrophobicContact CB-SD 4.09Å; V179-M208 HydrophobicContact CG1-CB 4.3Å; V179-M208 HydrophobicContact CG1-CG 4.02Å; V179-M208 HydrophobicContact CG1-SD 4.31Å; V179-M208 HydrophobicContact CG2-CB 4.02Å; V179-M208 HydrophobicContact CG2-CG 4.16Å; V179-M208 HydrophobicContact CG2-SD 3.84Å; V179-L209 HydrophobicContact CG1-CB 4.09Å; V179-L209 HydrophobicContact CG1-CD1 4.08Å; V179-M212 HydrophobicContact CB-SD 4.44Å; V179-M212 HydrophobicContact CG1-CE 4.4Å; V179-M212 HydrophobicContact CG1-SD 3.48Å; V179-M212 WeakPolarHBondContact CG1-SD 3.3Å
180Q97.3Very high94.8Very high52 Ų5231.8 Ų31.824%0.24315%0.149CC..Hα-helixtrans-59.4-38172.6-73-69.9-100111.9T146 Y176 Q177 M183 R184 M212T146-Q180 HydrophobicContact CG2-CB 4.06Å; Y176-Q180 HydrophobicContact CD1-CG 4.17Å; Y176-Q180 HydrophobicContact CE1-CG 3.77Å; Y176-Q180 VanDerWaalsContact CZ-NE2 3.31Å; Y176-Q180 WeakPolarHBondContact O-CG 3.32Å; Y176-Q180 PolarHBondContact O-N 3.28Å; Y176-Q180 PolarHBondContact OH-NE2 3.28Å; Q177-Q180 WeakPolarHBondContact O-CB 3.44Å; Q177-Q180 PolarHBondContact O-N 3.18Å; Q180-M183 PolarHBondContact O-N 3.45Å; Q180-R184 PolarHBondContact O-N 3.16Å; Q180-M212 VanDerWaalsContact CD-CE 3.44Å; Q180-M212 HydrophobicContact CG-CE 4.23Å
181G97.9Very high95.1Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-60.7-46.5170.700000113.3T146 I147 Q177 F178 V179 M183 R184 F185T146-G181 WeakPolarHBondContact OG1-CA 3.45Å; T146-G181 PolarHBondContact OG1-N 3.44Å; I147-G181 VanDerWaalsContact CD1-C 3.43Å; I147-G181 VanDerWaalsContact CD1-O 3.23Å; I147-G181 WeakPolarHBondContact CD1-O 3.42Å; Q177-G181 PolarHBondContact O-N 3.4Å; F178-G181 WeakPolarHBondContact O-CA 3.37Å; F178-G181 PolarHBondContact O-N 3.22Å; F178-G181 VanDerWaalsContact O-N 3.13Å; V179-G181 VanDerWaalsContact C-N 3.25Å; V179-G181 PolarHBondContact O-N 3.47Å; G181-M183 VanDerWaalsContact C-N 3.35Å; G181-M183 PolarHBondContact O-N 2.75Å; G181-R184 WeakPolarHBondContact O-CB 3.49Å; G181-R184 PolarHBondContact O-N 3.38Å; G181-F185 PolarHBondContact O-N 2.68Å
182L98.3Very high95.3Very high0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-64.5-37.4176.2-65.5175.8000112.4F178 V179 R184 F185 Q186 F192 V205 L209 L239 L241 I716F178-L182 HydrophobicContact CD1-CD1 4.1Å; F178-L182 HydrophobicContact CE1-CD1 3.93Å; F178-L182 HydrophobicContact CE1-CG 4.43Å; F178-L182 WeakPolarHBondContact O-CG 3.43Å; F178-L182 PolarHBondContact O-N 3.15Å; V179-L182 PolarHBondContact O-N 3.45Å; V179-L182 VanDerWaalsContact O-N 3.13Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.29Å; L182-F185 WeakPolarHBondContact O-CB 3.49Å; L182-F185 PolarHBondContact O-N 3.25Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.8Å; L182-F192 HydrophobicContact CD2-CZ 4.44Å; L182-V205 HydrophobicContact CD1-CG1 3.76Å; L182-L209 HydrophobicContact CB-CD1 3.67Å; L182-L209 HydrophobicContact CB-CD2 4.11Å; L182-L209 HydrophobicContact CD1-CD2 4Å; L182-L239 HydrophobicContact CD1-CD2 4.47Å; L182-L241 HydrophobicContact CD1-CD2 4.26Å; L182-I716 HydrophobicContact CD2-CD1 3.82Å; L182-I716 HydrophobicContact CD2-CG2 4.33Å
183M96.7Very high95.5Very high23 Ų2319.5 Ų19.511%0.11310%0.098CC..Hα-helixtrans-60.9-42.8171.8-74.3-62-56.600111.3V179 Q180 G181 Q186 S187 L209 M212 S213 A216 L229V179-M183 WeakPolarHBondContact O-CG 3.35Å; V179-M183 PolarHBondContact O-N 3.45Å; Q180-M183 PolarHBondContact O-N 3.45Å; G181-M183 VanDerWaalsContact C-N 3.35Å; G181-M183 PolarHBondContact O-N 2.75Å; M183-Q186 PolarHBondContact O-N 3.15Å; M183-S187 PolarHBondContact O-N 2.87Å; M183-L209 HydrophobicContact CG-CD1 3.91Å; M183-L209 HydrophobicContact SD-CD1 3.7Å; M183-M212 HydrophobicContact CE-CB 4.44Å; M183-M212 HydrophobicContact CG-CB 4.19Å; M183-M212 HydrophobicContact CG-CE 3.95Å; M183-M212 HydrophobicContact SD-CB 3.84Å; M183-S213 PolarHBondContact SD-OG 3.31Å; M183-A216 HydrophobicContact CE-CB 4.33Å; M183-L229 HydrophobicContact CE-CD1 3.93Å
184R96Very high95.7Very high57 Ų5718.8 Ų18.822%0.2159%0.092CC..Hα-helixtrans-64.6-41.7175.4-170.961.4162.8-146.1-17.8111.5L14 S17 Y18 E21 Q180 G181 L182 Q186 S187L14-R184 HydrophobicContact CD1-CB 4.26Å; L14-R184 HydrophobicContact CD1-CG 3.51Å; S17-R184 PolarHBondContact O-NH2 3.15Å; S17-R184 VanDerWaalsContact O-NH2 3.11Å; S17-R184 PolarHBondContact OG-NE 3.45Å; S17-R184 PolarHBondContact OG-NH2 2.88Å; Y18-R184 HydrophobicContact CE1-CG 4.27Å; Y18-R184 HydrophobicContact CE2-CG 4.49Å; E21-R184 IonicContact OE2-CZ 2.97Å; E21-R184 VanDerWaalsContact OE2-CZ 3.28Å; E21-R184 IonicContact OE2-NH1 3.1Å; E21-R184 PolarHBondContact OE2-NH1 3.22Å; E21-R184 VanDerWaalsContact OE2-NH1 3.16Å; E21-R184 IonicContact OE2-NH2 2.67Å; E21-R184 PolarHBondContact OE2-NH2 3.27Å; Q180-R184 PolarHBondContact O-N 3.16Å; G181-R184 WeakPolarHBondContact O-CB 3.49Å; G181-R184 PolarHBondContact O-N 3.38Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.29Å; R184-Q186 PolarHBondContact O-N 3.17Å; R184-S187 PolarHBondContact O-N 2.85Å; R184-S187 PolarHBondContact O-OG 2.97Å
185F97.3Very high95.9Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-56.4-49.7173-176.6-80000111.3L9 I147 L155 G181 L182 S187 I188 F189 F192 T236 V685 I716L9-F185 HydrophobicContact CD1-CE2 4.12Å; L9-F185 HydrophobicContact CD1-CZ 3.59Å; I147-F185 HydrophobicContact CD1-CB 4.42Å; L155-F185 HydrophobicContact CD1-CD2 3.67Å; L155-F185 HydrophobicContact CD1-CE2 3.98Å; G181-F185 PolarHBondContact O-N 2.68Å; L182-F185 WeakPolarHBondContact O-CB 3.49Å; L182-F185 PolarHBondContact O-N 3.25Å; F185-S187 VanDerWaalsContact C-N 3.25Å; F185-S187 PolarHBondContact O-N 3.07Å; F185-I188 PolarHBondContact O-N 3.1Å; F185-F189 HydrophobicContact CD1-CB 4.22Å; F185-F189 AromaticContact CD1-CD2 3.94Å; F185-F189 HydrophobicContact CD1-CD2 3.94Å; F185-F189 AromaticContact CD2-CD2 3.59Å; F185-F189 HydrophobicContact CD2-CD2 3.59Å; F185-F189 AromaticContact CD2-CE2 3.92Å; F185-F189 HydrophobicContact CD2-CE2 3.92Å; F185-F189 HydrophobicContact CE1-CB 3.76Å; F185-F189 AromaticContact CE1-CD2 3.84Å; F185-F189 HydrophobicContact CE1-CD2 3.84Å; F185-F189 HydrophobicContact CE1-CG 4.15Å; F185-F189 AromaticContact CE2-CD2 3.5Å; F185-F189 HydrophobicContact CE2-CD2 3.5Å; F185-F189 VanDerWaalsContact CE2-CD2 3.5Å; F185-F189 AromaticContact CE2-CE2 3.88Å; F185-F189 HydrophobicContact CE2-CE2 3.88Å; F185-F189 HydrophobicContact CE2-CG 4.33Å; F185-F189 AromaticContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CE2 4.49Å; F185-F189 HydrophobicContact CZ-CB 4.08Å; F185-F189 AromaticContact CZ-CD2 3.63Å; F185-F189 HydrophobicContact CZ-CD2 3.63Å; F185-F189 HydrophobicContact CZ-CE2 4.41Å; F185-F189 HydrophobicContact CZ-CG 4.04Å; F185-F189 WeakPolarHBondContact O-CD2 3.3Å; F185-F189 PolarHBondContact O-N 3.36Å; F185-F192 AromaticContact CD1-CE1 3.81Å; F185-F192 HydrophobicContact CD1-CE1 3.81Å; F185-F192 HydrophobicContact CD1-CE2 4.3Å; F185-F192 AromaticContact CD1-CZ 3.38Å; F185-F192 HydrophobicContact CD1-CZ 3.38Å; F185-F192 AromaticContact CE1-CE1 3.52Å; F185-F192 HydrophobicContact CE1-CE1 3.52Å; F185-F192 AromaticContact CE1-CZ 3.63Å; F185-F192 HydrophobicContact CE1-CZ 3.63Å; F185-F192 HydrophobicContact CG-CZ 4.26Å; F185-F192 HydrophobicContact CZ-CE1 4.44Å; F185-T236 HydrophobicContact CE1-CG2 4Å; F185-T236 HydrophobicContact CZ-CG2 4.05Å; F185-V685 HydrophobicContact CE1-CG2 4.32Å; F185-V685 HydrophobicContact CZ-CG2 3.96Å; F185-I716 HydrophobicContact CD2-CD1 3.87Å; F185-I716 HydrophobicContact CE2-CD1 4.11Å; F185-I716 HydrophobicContact CG-CD1 4.34Å
186Q94.9Very high96.1Very high3 Ų320.5 Ų20.51%0.01410%0.096CC..Hα-helixtrans-60.3-33.7178-76.2175-146.900113L182 M183 R184 I188 G190 L191 F192 L209 S213L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.8Å; M183-Q186 PolarHBondContact O-N 3.15Å; R184-Q186 PolarHBondContact O-N 3.17Å; Q186-I188 PolarHBondContact O-N 2.59Å; Q186-G190 WeakPolarHBondContact CA-O 3.31Å; Q186-G190 CarbonylContact O-C 3.58Å; Q186-G190 VanDerWaalsContact O-CA 3.3Å; Q186-G190 WeakPolarHBondContact O-CA 3.42Å; Q186-G190 PolarHBondContact O-N 3.04Å; Q186-L191 HydrophobicContact CB-CD2 4.38Å; Q186-L191 HydrophobicContact CG-CD2 4.38Å; Q186-F192 HydrophobicContact CG-CD2 3.82Å; Q186-F192 HydrophobicContact CG-CE2 3.63Å; Q186-F192 HydrophobicContact CG-CZ 4.42Å; Q186-F192 VanDerWaalsContact OE1-CD2 3.29Å; Q186-L209 VanDerWaalsContact OE1-CD1 3.29Å; Q186-S213 PolarHBondContact NE2-OG 3.33Å
187S94Very high96.2Very high47 Ų4716.7 Ų16.733%0.3298%0.081SC..Hα-helixtrans-67.5-11.6177.176.40000114.5M183 R184 F185 I232M183-S187 PolarHBondContact O-N 2.87Å; R184-S187 PolarHBondContact O-N 2.85Å; R184-S187 PolarHBondContact O-OG 2.97Å; F185-S187 VanDerWaalsContact C-N 3.25Å; F185-S187 PolarHBondContact O-N 3.07Å; S187-I232 WeakPolarHBondContact O-CD1 3.13Å
188I94.7Very high96.2Very high32 Ų3216.1 Ų16.116%0.1648%0.078CC..Hα-helixtrans-113.6-43.1-179.6-59176.8000111L13 L14 F185 Q186L13-I188 HydrophobicContact CB-CG2 3.8Å; L13-I188 HydrophobicContact CD1-CG2 4.16Å; L14-I188 HydrophobicContact CB-CD1 4.13Å; L14-I188 HydrophobicContact CD1-CD1 3.67Å; F185-I188 PolarHBondContact O-N 3.1Å; Q186-I188 PolarHBondContact O-N 2.59Å
189F95.1Very high96.1Very high0 Ų016.1 Ų16.10%08%0.078CC..Hα-helixtrans-108.24.1-171.9-55-68.5000114.3L9 I11 L13 F185 Q235L9-F189 HydrophobicContact CB-CD1 4.48Å; L9-F189 HydrophobicContact CB-CE1 4.22Å; L9-F189 HydrophobicContact CD1-CD1 4.21Å; L9-F189 HydrophobicContact CD1-CG 4.22Å; L9-F189 HydrophobicContact CD2-CD1 4.38Å; I11-F189 HydrophobicContact CG2-CZ 4.39Å; L13-F189 HydrophobicContact CB-CZ 4.47Å; L13-F189 HydrophobicContact CD1-CE1 4.38Å; F185-F189 HydrophobicContact CD1-CB 4.22Å; F185-F189 AromaticContact CD1-CD2 3.94Å; F185-F189 HydrophobicContact CD1-CD2 3.94Å; F185-F189 AromaticContact CD2-CD2 3.59Å; F185-F189 HydrophobicContact CD2-CD2 3.59Å; F185-F189 AromaticContact CD2-CE2 3.92Å; F185-F189 HydrophobicContact CD2-CE2 3.92Å; F185-F189 HydrophobicContact CE1-CB 3.76Å; F185-F189 AromaticContact CE1-CD2 3.84Å; F185-F189 HydrophobicContact CE1-CD2 3.84Å; F185-F189 HydrophobicContact CE1-CG 4.15Å; F185-F189 AromaticContact CE2-CD2 3.5Å; F185-F189 HydrophobicContact CE2-CD2 3.5Å; F185-F189 VanDerWaalsContact CE2-CD2 3.5Å; F185-F189 AromaticContact CE2-CE2 3.88Å; F185-F189 HydrophobicContact CE2-CE2 3.88Å; F185-F189 HydrophobicContact CE2-CG 4.33Å; F185-F189 AromaticContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CE2 4.49Å; F185-F189 HydrophobicContact CZ-CB 4.08Å; F185-F189 AromaticContact CZ-CD2 3.63Å; F185-F189 HydrophobicContact CZ-CD2 3.63Å; F185-F189 HydrophobicContact CZ-CE2 4.41Å; F185-F189 HydrophobicContact CZ-CG 4.04Å; F185-F189 WeakPolarHBondContact O-CD2 3.3Å; F185-F189 PolarHBondContact O-N 3.36Å; F189-Q235 PolarHBondContact O-N 3.33Å
190G93.5Very high95.9Very high0 Ų018.6 Ų18.60%09%0.09CC..  trans84.3172.5-17900000113.8Q186Q186-G190 WeakPolarHBondContact CA-O 3.31Å; Q186-G190 CarbonylContact O-C 3.58Å; Q186-G190 VanDerWaalsContact O-CA 3.3Å; Q186-G190 WeakPolarHBondContact O-CA 3.42Å; Q186-G190 PolarHBondContact O-N 3.04Å
191L93.4Very high95.8Very high12 Ų1216.4 Ų16.46%0.0638%0.08CC..  trans-68147.3-179.5-63-175.1000112.1Q186 P193 L229 D230 S234Q186-L191 HydrophobicContact CB-CD2 4.38Å; Q186-L191 HydrophobicContact CG-CD2 4.38Å; L191-P193 VanDerWaalsContact O-CD 3.29Å; L191-P193 WeakPolarHBondContact O-CD 3.45Å; L191-L229 HydrophobicContact CD2-CB 4.1Å; L191-D230 WeakPolarHBondContact CD1-OD1 3.39Å; L191-S234 WeakPolarHBondContact O-CB 3.33Å; L191-S234 PolarHBondContact O-OG 3.36Å
192F95Very high95.7Very high0 Ų016.4 Ų16.40%08%0.08CC..  trans-72118.8171.5-60-69.2000110.7L182 F185 Q186 K194 I195 L209 T236 L239 L657 V685L182-F192 HydrophobicContact CD2-CZ 4.44Å; F185-F192 AromaticContact CD1-CE1 3.81Å; F185-F192 HydrophobicContact CD1-CE1 3.81Å; F185-F192 HydrophobicContact CD1-CE2 4.3Å; F185-F192 AromaticContact CD1-CZ 3.38Å; F185-F192 HydrophobicContact CD1-CZ 3.38Å; F185-F192 AromaticContact CE1-CE1 3.52Å; F185-F192 HydrophobicContact CE1-CE1 3.52Å; F185-F192 AromaticContact CE1-CZ 3.63Å; F185-F192 HydrophobicContact CE1-CZ 3.63Å; F185-F192 HydrophobicContact CG-CZ 4.26Å; F185-F192 HydrophobicContact CZ-CE1 4.44Å; Q186-F192 HydrophobicContact CG-CD2 3.82Å; Q186-F192 HydrophobicContact CG-CE2 3.63Å; Q186-F192 HydrophobicContact CG-CZ 4.42Å; Q186-F192 VanDerWaalsContact OE1-CD2 3.29Å; F192-K194 VanDerWaalsContact C-N 3.32Å; F192-K194 PolarHBondContact O-N 3.32Å; F192-I195 HydrophobicContact CB-CD1 4.46Å; F192-I195 HydrophobicContact CB-CG1 3.98Å; F192-L209 HydrophobicContact CD2-CD2 4.16Å; F192-L209 HydrophobicContact CE2-CD2 4.22Å; F192-T236 WeakPolarHBondContact CD1-OG1 3.33Å; F192-L239 HydrophobicContact CB-CB 4.05Å; F192-L239 HydrophobicContact CD1-CB 3.7Å; F192-L239 HydrophobicContact CD2-CB 4.22Å; F192-L239 HydrophobicContact CD2-CD2 3.71Å; F192-L239 HydrophobicContact CE1-CB 4.16Å; F192-L239 HydrophobicContact CE1-CD1 4.46Å; F192-L239 HydrophobicContact CE2-CD2 3.79Å; F192-L239 HydrophobicContact CG-CB 3.72Å; F192-L239 HydrophobicContact CG-CD2 4.1Å; F192-L239 HydrophobicContact CG-CG 4.48Å; F192-L239 HydrophobicContact CZ-CD1 4.42Å; F192-L239 HydrophobicContact CZ-CD2 4.24Å; F192-L657 WeakPolarHBondContact O-CD1 3.48Å; F192-V685 HydrophobicContact CE1-CB 4.08Å; F192-V685 HydrophobicContact CE1-CG1 4.33Å; F192-V685 HydrophobicContact CE1-CG2 3.86Å
193P93.8Very high95.7Very high17 Ų1717.3 Ų17.311%0.118%0.084CC..SBendtrans-65.9-36.3-179.9-20.132.2000112.4L191 S234 T236 Q656 L657 V659L191-P193 VanDerWaalsContact O-CD 3.29Å; L191-P193 WeakPolarHBondContact O-CD 3.45Å; P193-S234 WeakPolarHBondContact CD-OG 3.39Å; P193-T236 WeakPolarHBondContact CD-O 3.17Å; P193-T236 WeakPolarHBondContact CG-O 3.45Å; P193-Q656 PolarHBondContact O-NE2 3.5Å; P193-Q656 VanDerWaalsContact O-NE2 3.08Å; P193-L657 PolarHBondContact O-N 3.01Å; P193-V659 HydrophobicContact CB-CG2 3.8Å; P193-V659 HydrophobicContact CG-CG2 4.03Å
194K95.6Very high95.7Very high49 Ų4917.4 Ų17.421%0.2139%0.091CC..EExtended strand (participates in β ladder)trans-125.2139.9177.5-67.7163.5-167169.70110F192 Y196 E237 L238 L239 V655F192-K194 VanDerWaalsContact C-N 3.32Å; F192-K194 PolarHBondContact O-N 3.32Å; K194-Y196 HydrophobicContact CB-CE1 4.36Å; K194-E237 PolarHBondContact N-O 3.02Å; K194-E237 IonicContact NZ-OE1 3.91Å; K194-E237 PolarHBondContact NZ-OE1 2.89Å; K194-L238 HydrophobicContact CB-CB 4.28Å; K194-L238 HydrophobicContact CB-CD1 3.42Å; K194-L238 VanDerWaalsContact CB-CD1 3.42Å; K194-L238 HydrophobicContact CB-CG 4.44Å; K194-L239 PolarHBondContact O-N 3.23Å; K194-V655 WeakPolarHBondContact CA-O 3.2Å
195I97.6Very high95.8Very high1 Ų114.7 Ų14.71%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-129.2116.5171.6-54173000109.1F192 A206 L209 Q210 L239 L241 K654 V655 L657F192-I195 HydrophobicContact CB-CD1 4.46Å; F192-I195 HydrophobicContact CB-CG1 3.98Å; I195-A206 HydrophobicContact CG2-CB 3.92Å; I195-L209 HydrophobicContact CD1-CD2 4.35Å; I195-Q210 HydrophobicContact CD1-CG 4.36Å; I195-L239 CarbonylContact C-O 3.52Å; I195-L239 WeakPolarHBondContact CA-O 3.46Å; I195-L239 HydrophobicContact CG1-CB 4.34Å; I195-L239 HydrophobicContact CG1-CD2 4.36Å; I195-L239 HydrophobicContact CG2-CD2 4.17Å; I195-L239 HydrophobicContact CG2-CG 4.45Å; I195-L241 HydrophobicContact CG2-CD1 4.17Å; I195-K654 WeakPolarHBondContact O-CA 3.17Å; I195-V655 HydrophobicContact CB-CG1 3.77Å; I195-V655 HydrophobicContact CG1-CG1 4.41Å; I195-V655 PolarHBondContact N-O 3.34Å; I195-V655 PolarHBondContact O-N 3.04Å; I195-L657 HydrophobicContact CD1-CD1 4.05Å
196Y97.6Very high95.8Very high44 Ų4414.7 Ų14.717%0.1738%0.081CC..EExtended strand (participates in β ladder)trans-111.3133.3172.2-61.1-11.1000109K194 L238 L239 I240 L241 W546 F653 K654K194-Y196 HydrophobicContact CB-CE1 4.36Å; Y196-L238 HydrophobicContact CD1-CD1 4.03Å; Y196-L238 HydrophobicContact CD2-CD1 3.66Å; Y196-L238 HydrophobicContact CD2-CD2 4.06Å; Y196-L238 HydrophobicContact CE1-CD1 4.19Å; Y196-L238 HydrophobicContact CE2-CD1 3.86Å; Y196-L238 HydrophobicContact CE2-CD2 4.06Å; Y196-L238 HydrophobicContact CG-CD1 3.75Å; Y196-L239 PolarHBondContact N-O 2.76Å; Y196-I240 CarbonylContact O-C 3.11Å; Y196-I240 WeakPolarHBondContact O-CA 3.47Å; Y196-L241 PolarHBondContact O-N 3.18Å; Y196-W546 HydrophobicContact CD2-CB 4.08Å; Y196-W546 HydrophobicContact CD2-CD2 4.12Å; Y196-W546 HydrophobicContact CD2-CE3 4.34Å; Y196-W546 HydrophobicContact CD2-CG 4.05Å; Y196-F653 CarbonylContact C-O 3.44Å; Y196-F653 WeakPolarHBondContact CA-O 3.47Å; Y196-K654 HydrophobicContact CD1-CB 3.69Å; Y196-K654 HydrophobicContact CD1-CD 3.95Å; Y196-K654 HydrophobicContact CD1-CG 3.47Å; Y196-K654 VanDerWaalsContact CD1-CG 3.47Å; Y196-K654 HydrophobicContact CE1-CB 3.95Å; Y196-K654 HydrophobicContact CE1-CD 4.05Å; Y196-K654 HydrophobicContact CE1-CG 3.96Å; Y196-K654 HydrophobicContact CG-CD 4.24Å; Y196-K654 HydrophobicContact CG-CG 3.89Å
197A98.4Very high95.9Very high0 Ų020.3 Ų20.30%011%0.105CC..EExtended strand (participates in β ladder)trans-135.6133.1-179.300000111.4A202 I203 A206 L241 E652 F653A197-A202 HydrophobicContact CB-CB 4.04Å; A197-I203 HydrophobicContact CB-CG1 4.1Å; A197-A206 HydrophobicContact CB-CB 4.08Å; A197-L241 CarbonylContact C-O 3.57Å; A197-L241 VanDerWaalsContact CA-O 3.28Å; A197-L241 WeakPolarHBondContact CA-O 3.5Å; A197-L241 HydrophobicContact CB-CB 3.96Å; A197-L241 HydrophobicContact CB-CD1 4.44Å; A197-E652 WeakPolarHBondContact O-CA 3.32Å; A197-F653 HydrophobicContact CB-CB 4.31Å; A197-F653 HydrophobicContact CB-CD1 4.45Å; A197-F653 PolarHBondContact N-O 2.95Å; A197-F653 PolarHBondContact O-N 3.12Å
198K97.6Very high96.1Very high1 Ų119.1 Ų19.10%0.00410%0.095CC..EExtended strand (participates in β ladder)trans-120.5128.8176.1-158.670.6164.4179.60110.7A202 L241 D243 V246 L542 W546 S645 I648 A650 E652K198-A202 VanDerWaalsContact O-CB 3.28Å; K198-A202 WeakPolarHBondContact O-CB 3.19Å; K198-L241 PolarHBondContact N-O 2.64Å; K198-D243 WeakPolarHBondContact O-CB 3.4Å; K198-D243 PolarHBondContact O-N 3.27Å; K198-V246 HydrophobicContact CB-CG2 4.09Å; K198-V246 HydrophobicContact CG-CG1 4.07Å; K198-V246 HydrophobicContact CG-CG2 3.79Å; K198-V246 WeakPolarHBondContact O-CG2 3.23Å; K198-L542 HydrophobicContact CB-CD2 3.66Å; K198-L542 HydrophobicContact CG-CD2 3.74Å; K198-W546 HydrophobicContact CB-CH2 3.55Å; K198-W546 HydrophobicContact CB-CZ2 4.23Å; K198-W546 HydrophobicContact CB-CZ3 4.23Å; K198-W546 HydrophobicContact CD-CH2 4.21Å; K198-W546 HydrophobicContact CD-CZ2 4.06Å; K198-W546 HydrophobicContact CG-CH2 4.37Å; K198-S645 WeakPolarHBondContact CE-O 3.36Å; K198-S645 PolarHBondContact NZ-O 3.38Å; K198-I648 WeakPolarHBondContact CE-O 3.46Å; K198-I648 PolarHBondContact NZ-O 2.93Å; K198-A650 WeakPolarHBondContact CE-O 3.38Å; K198-A650 HydrophobicContact CG-CB 4.27Å; K198-A650 PolarHBondContact NZ-O 2.85Å; K198-E652 HydrophobicContact CD-CB 3.98Å; K198-E652 HydrophobicContact CD-CG 4.25Å; K198-E652 IonicContact NZ-OE2 2.8Å; K198-E652 PolarHBondContact NZ-OE2 3.45Å
199G96.1Very high96.2Very high0 Ų017.7 Ų17.70%09%0.087CC..SBendtrans91151.2-176.800000112.8K201 A202 I203 P651G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3.11Å; G199-A202 PolarHBondContact O-N 2.93Å; G199-I203 VanDerWaalsContact O-CG1 3.32Å; G199-I203 WeakPolarHBondContact O-CG1 3.42Å; G199-I203 PolarHBondContact O-N 3.1Å; G199-P651 PolarHBondContact N-O 3.21Å
200E93.2Very high96.2Very high53 Ų5319.5 Ų19.525%0.24810%0.096CC..Hα-helixtrans-57.8-39.7-167.7-174.1170.5-165.500112.4I203 G204 L487 N490 P651E200-I203 PolarHBondContact O-N 3.13Å; E200-G204 PolarHBondContact O-N 3.43Å; E200-L487 HydrophobicContact CG-CD1 4.04Å; E200-L487 WeakPolarHBondContact OE1-CD1 3.38Å; E200-N490 PolarHBondContact OE1-ND2 3.4Å; E200-N490 WeakPolarHBondContact OE2-CB 3.44Å; E200-P651 HydrophobicContact CB-CG 4.35Å
201K94.6Very high96.2Very high5 Ų526.2 Ų26.22%0.02212%0.121CC..Hα-helixtrans-73.2-41.1-177.6-58.2178.9169.71750112.4Y166 S167 G199 I203 G204 V205 D243 V689Y166-K201 HydrophobicContact CD1-CB 4.06Å; Y166-K201 HydrophobicContact CD1-CD 3.35Å; Y166-K201 HydrophobicContact CD1-CG 3.64Å; Y166-K201 HydrophobicContact CE1-CB 3.51Å; Y166-K201 HydrophobicContact CE1-CD 3.57Å; Y166-K201 HydrophobicContact CE1-CG 3.23Å; Y166-K201 HydrophobicContact CG-CD 4.22Å; S167-K201 PolarHBondContact OG-NZ 2.7Å; G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3.11Å; K201-I203 VanDerWaalsContact C-N 3.29Å; K201-I203 PolarHBondContact O-N 3.35Å; K201-G204 WeakPolarHBondContact O-CA 3.45Å; K201-G204 PolarHBondContact O-N 3.06Å; K201-G204 VanDerWaalsContact O-N 3.15Å; K201-V205 WeakPolarHBondContact O-CG2 3.23Å; K201-V205 PolarHBondContact O-N 2.82Å; K201-D243 HydrophobicContact CB-CB 4.31Å; K201-D243 VanDerWaalsContact CB-OD2 3.22Å; K201-D243 WeakPolarHBondContact CB-OD2 3.3Å; K201-D243 WeakPolarHBondContact CG-OD2 3.37Å; K201-D243 PolarHBondContact N-OD2 3.49Å; K201-D243 VanDerWaalsContact N-OD2 3.13Å; K201-V689 HydrophobicContact CB-CG1 4.06Å
202A97.4Very high96.3Very high0 Ų026.9 Ų26.90%013%0.125CC..Hα-helixtrans-62-39174.100000111.4A197 K198 G199 G204 V205 A206 L241 D243 V689A197-A202 HydrophobicContact CB-CB 4.04Å; K198-A202 VanDerWaalsContact O-CB 3.28Å; K198-A202 WeakPolarHBondContact O-CB 3.19Å; G199-A202 PolarHBondContact O-N 2.93Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-V205 WeakPolarHBondContact O-CB 3.34Å; A202-V205 PolarHBondContact O-N 2.91Å; A202-A206 PolarHBondContact O-N 3.03Å; A202-L241 HydrophobicContact CB-CB 3.81Å; A202-D243 HydrophobicContact CB-CB 4.11Å; A202-V689 HydrophobicContact CB-CG2 4.49Å
203I97.2Very high96.1Very high19 Ų1927.2 Ų27.210%0.09713%0.127CC..Hα-helixtrans-64.9-40.8173.4-64.1174.4000110.8A197 G199 E200 K201 V205 A206 K207 P651 F653A197-I203 HydrophobicContact CB-CG1 4.1Å; G199-I203 VanDerWaalsContact O-CG1 3.32Å; G199-I203 WeakPolarHBondContact O-CG1 3.42Å; G199-I203 PolarHBondContact O-N 3.1Å; E200-I203 PolarHBondContact O-N 3.13Å; K201-I203 VanDerWaalsContact C-N 3.29Å; K201-I203 PolarHBondContact O-N 3.35Å; I203-V205 VanDerWaalsContact C-N 3.35Å; I203-A206 PolarHBondContact O-N 3.35Å; I203-K207 HydrophobicContact CG2-CD 4.05Å; I203-K207 HydrophobicContact CG2-CG 4.4Å; I203-K207 WeakPolarHBondContact O-CG 3.38Å; I203-K207 PolarHBondContact O-N 2.78Å; I203-P651 HydrophobicContact CD1-CB 3.62Å; I203-P651 HydrophobicContact CD1-CG 3.95Å; I203-F653 HydrophobicContact CB-CB 4.41Å; I203-F653 HydrophobicContact CD1-CB 4.1Å; I203-F653 HydrophobicContact CG1-CB 3.7Å; I203-F653 HydrophobicContact CG2-CB 4.11Å; I203-F653 HydrophobicContact CG2-CG 4.49Å
204G95.9Very high95.9Very high25 Ų2530.9 Ų30.926%0.25815%0.145SC..Hα-helixtrans-57-46.3172.900000112.4E200 K201 A202 M208E200-G204 PolarHBondContact O-N 3.43Å; K201-G204 WeakPolarHBondContact O-CA 3.45Å; K201-G204 PolarHBondContact O-N 3.06Å; K201-G204 VanDerWaalsContact O-N 3.15Å; A202-G204 VanDerWaalsContact C-N 3.34Å; G204-M208 VanDerWaalsContact O-CB 3.26Å; G204-M208 WeakPolarHBondContact O-CB 3.41Å; G204-M208 PolarHBondContact O-N 2.94Å
205V98.1Very high95.7Very high0 Ų033.7 Ų33.70%016%0.159CC..Hα-helixtrans-58.3-51.6173.51700000110.8V175 F178 V179 L182 K201 A202 I203 K207 M208 L209 L241 V689V175-V205 HydrophobicContact CG1-CG2 3.66Å; V175-V205 HydrophobicContact CG2-CG2 4.49Å; F178-V205 HydrophobicContact CD1-CG1 3.93Å; F178-V205 HydrophobicContact CD1-CG2 4.16Å; F178-V205 HydrophobicContact CE1-CG1 4.2Å; V179-V205 HydrophobicContact CG2-CB 4.24Å; V179-V205 HydrophobicContact CG2-CG1 3.85Å; V179-V205 HydrophobicContact CG2-CG2 4.32Å; L182-V205 HydrophobicContact CD1-CG1 3.76Å; K201-V205 WeakPolarHBondContact O-CG2 3.23Å; K201-V205 PolarHBondContact O-N 2.82Å; A202-V205 WeakPolarHBondContact O-CB 3.34Å; A202-V205 PolarHBondContact O-N 2.91Å; I203-V205 VanDerWaalsContact C-N 3.35Å; V205-K207 PolarHBondContact O-N 3.4Å; V205-M208 PolarHBondContact O-N 3.5Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 PolarHBondContact O-N 3.31Å; V205-L241 HydrophobicContact CB-CD1 4.16Å; V205-L241 HydrophobicContact CG1-CD1 3.68Å; V205-L241 HydrophobicContact CG1-CD2 3.99Å; V205-L241 HydrophobicContact CG1-CG 4.48Å; V205-V689 HydrophobicContact CG2-CG1 4.26Å; V205-V689 HydrophobicContact CG2-CG2 3.94Å
206A98.1Very high95.2Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-57.4-48.4-178.400000112.2I195 A197 A202 I203 M208 L209 Q210 L241 F653I195-A206 HydrophobicContact CG2-CB 3.92Å; A197-A206 HydrophobicContact CB-CB 4.08Å; A202-A206 PolarHBondContact O-N 3.03Å; I203-A206 PolarHBondContact O-N 3.35Å; A206-M208 PolarHBondContact O-N 2.8Å; A206-L209 PolarHBondContact O-N 2.84Å; A206-Q210 WeakPolarHBondContact O-CG 3.49Å; A206-Q210 PolarHBondContact O-N 3.34Å; A206-L241 HydrophobicContact CB-CD1 3.86Å; A206-F653 HydrophobicContact CB-CD1 3.82Å; A206-F653 HydrophobicContact CB-CE1 3.9Å
207K97.2Very high94.5Very high121 Ų12135.4 Ų35.453%0.52617%0.173SC..Hα-helixtrans-65.4-39.8178.9-71.3178177.6178.80112.3I203 V205 R211I203-K207 HydrophobicContact CG2-CD 4.05Å; I203-K207 HydrophobicContact CG2-CG 4.4Å; I203-K207 WeakPolarHBondContact O-CG 3.38Å; I203-K207 PolarHBondContact O-N 2.78Å; V205-K207 PolarHBondContact O-N 3.4Å; K207-R211 WeakPolarHBondContact O-CB 3.15Å; K207-R211 PolarHBondContact O-N 3.37Å; K207-R211 VanDerWaalsContact O-N 3.07Å
208M97.4Very high93.8Very high23 Ų2339.4 Ų39.411%0.11320%0.197CC..Hα-helixtrans-66-41.2177.8-169.3-177.3-57.600111V175 Y176 V179 G204 V205 A206 R211 M212V175-M208 HydrophobicContact CG1-CE 4.34Å; Y176-M208 HydrophobicContact CD2-SD 3.85Å; V179-M208 HydrophobicContact CB-CG 4.42Å; V179-M208 HydrophobicContact CB-SD 4.09Å; V179-M208 HydrophobicContact CG1-CB 4.3Å; V179-M208 HydrophobicContact CG1-CG 4.02Å; V179-M208 HydrophobicContact CG1-SD 4.31Å; V179-M208 HydrophobicContact CG2-CB 4.02Å; V179-M208 HydrophobicContact CG2-CG 4.16Å; V179-M208 HydrophobicContact CG2-SD 3.84Å; G204-M208 VanDerWaalsContact O-CB 3.26Å; G204-M208 WeakPolarHBondContact O-CB 3.41Å; G204-M208 PolarHBondContact O-N 2.94Å; V205-M208 PolarHBondContact O-N 3.5Å; A206-M208 PolarHBondContact O-N 2.8Å; M208-R211 PolarHBondContact O-N 2.91Å; M208-M212 HydrophobicContact CG-SD 4Å; M208-M212 WeakPolarHBondContact O-CB 3.35Å; M208-M212 VanDerWaalsContact O-CG 3.29Å; M208-M212 WeakPolarHBondContact O-CG 3.34Å; M208-M212 PolarHBondContact O-N 3.5Å
209L97.5Very high92.9Very high1 Ų143 Ų431%0.00522%0.219CC..Hα-helixtrans-62.2-46.2176.6-176.563.3000112.2V179 L182 M183 Q186 F192 I195 V205 A206 M212 S213 L239V179-L209 HydrophobicContact CG1-CB 4.09Å; V179-L209 HydrophobicContact CG1-CD1 4.08Å; L182-L209 HydrophobicContact CB-CD1 3.67Å; L182-L209 HydrophobicContact CB-CD2 4.11Å; L182-L209 HydrophobicContact CD1-CD2 4Å; M183-L209 HydrophobicContact CG-CD1 3.91Å; M183-L209 HydrophobicContact SD-CD1 3.7Å; Q186-L209 VanDerWaalsContact OE1-CD1 3.29Å; F192-L209 HydrophobicContact CD2-CD2 4.16Å; F192-L209 HydrophobicContact CE2-CD2 4.22Å; I195-L209 HydrophobicContact CD1-CD2 4.35Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 PolarHBondContact O-N 3.31Å; A206-L209 PolarHBondContact O-N 2.84Å; L209-M212 PolarHBondContact O-N 3.1Å; L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 3.35Å; L209-S213 PolarHBondContact O-OG 3.15Å; L209-L239 HydrophobicContact CD2-CD2 3.91Å
210Q94.5Very high91.6Very high38 Ų3844.5 Ų44.518%0.17823%0.227CC..Hα-helixtrans-59.7-51.2176.2-72-179.7-64.600111.2I195 A206 M212 S213 D214 F653I195-Q210 HydrophobicContact CD1-CG 4.36Å; A206-Q210 WeakPolarHBondContact O-CG 3.49Å; A206-Q210 PolarHBondContact O-N 3.34Å; Q210-M212 VanDerWaalsContact C-N 3.33Å; Q210-M212 PolarHBondContact O-N 3.09Å; Q210-S213 WeakPolarHBondContact O-CB 3.38Å; Q210-S213 PolarHBondContact O-N 3.09Å; Q210-S213 VanDerWaalsContact O-N 3.11Å; Q210-D214 VanDerWaalsContact O-CG 3.28Å; Q210-D214 PolarHBondContact O-N 2.84Å; Q210-F653 VanDerWaalsContact OE1-CZ 3.26Å
211R95Very high90.2Very high142 Ų14249.7 Ų49.754%0.53625%0.251SS..Hα-helixtrans-57.7-45.4178.8-178.1-17863.7-173.1-1.3112K207 M208 S213 D214 E215K207-R211 WeakPolarHBondContact O-CB 3.15Å; K207-R211 PolarHBondContact O-N 3.37Å; K207-R211 VanDerWaalsContact O-N 3.07Å; M208-R211 PolarHBondContact O-N 2.91Å; R211-S213 VanDerWaalsContact C-N 3.31Å; R211-S213 PolarHBondContact O-N 3.47Å; R211-D214 PolarHBondContact O-N 3.45Å; R211-E215 WeakPolarHBondContact CG-OE1 3.26Å; R211-E215 IonicContact NE-OE1 3.81Å; R211-E215 VanDerWaalsContact O-CG 3.31Å; R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 2.85Å
212M94.5Very high88.7Confident26 Ų2656.8 Ų56.813%0.12828%0.284CS..Hα-helixtrans-66.9-33.6178.8-73.8177.165.700112.6Y176 V179 Q180 M183 M208 L209 Q210 A216Y176-M212 HydrophobicContact CE2-SD 4.42Å; V179-M212 HydrophobicContact CB-SD 4.44Å; V179-M212 HydrophobicContact CG1-CE 4.4Å; V179-M212 HydrophobicContact CG1-SD 3.48Å; V179-M212 WeakPolarHBondContact CG1-SD 3.3Å; Q180-M212 VanDerWaalsContact CD-CE 3.44Å; Q180-M212 HydrophobicContact CG-CE 4.23Å; M183-M212 HydrophobicContact CE-CB 4.44Å; M183-M212 HydrophobicContact CG-CB 4.19Å; M183-M212 HydrophobicContact CG-CE 3.95Å; M183-M212 HydrophobicContact SD-CB 3.84Å; M208-M212 HydrophobicContact CG-SD 4Å; M208-M212 WeakPolarHBondContact O-CB 3.35Å; M208-M212 VanDerWaalsContact O-CG 3.29Å; M208-M212 WeakPolarHBondContact O-CG 3.34Å; M208-M212 PolarHBondContact O-N 3.5Å; L209-M212 PolarHBondContact O-N 3.1Å; Q210-M212 VanDerWaalsContact C-N 3.33Å; Q210-M212 PolarHBondContact O-N 3.09Å; M212-A216 WeakPolarHBondContact O-CB 3.44Å; M212-A216 PolarHBondContact O-N 3.43Å; M212-A216 VanDerWaalsContact O-N 3.11Å
213S91.1Very high86.8Confident7 Ų761.8 Ų61.85%0.04931%0.308CS..Hα-helixtrans-65.8-44.1173.3-59.40000111.1M183 Q186 L209 Q210 R211 A216 K217M183-S213 PolarHBondContact SD-OG 3.31Å; Q186-S213 PolarHBondContact NE2-OG 3.33Å; L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 3.35Å; L209-S213 PolarHBondContact O-OG 3.15Å; Q210-S213 WeakPolarHBondContact O-CB 3.38Å; Q210-S213 PolarHBondContact O-N 3.09Å; Q210-S213 VanDerWaalsContact O-N 3.11Å; R211-S213 VanDerWaalsContact C-N 3.31Å; R211-S213 PolarHBondContact O-N 3.47Å; S213-A216 PolarHBondContact O-N 2.99Å; S213-K217 WeakPolarHBondContact O-CG 3.28Å; S213-K217 PolarHBondContact O-N 3.22Å; S213-K217 VanDerWaalsContact O-N 3.15Å
214D89.8Confident84.6Confident93 Ų9368.4 Ų68.450%0.49735%0.349SS..Hα-helixtrans-65.1-42.5178.3-63.7-26.3000111.9Q210 R211 A216 K217 V218Q210-D214 VanDerWaalsContact O-CG 3.28Å; Q210-D214 PolarHBondContact O-N 2.84Å; R211-D214 PolarHBondContact O-N 3.45Å; D214-A216 VanDerWaalsContact C-N 3.31Å; D214-A216 PolarHBondContact O-N 3.21Å; D214-K217 WeakPolarHBondContact O-CB 3.4Å; D214-K217 PolarHBondContact O-N 2.85Å; D214-V218 PolarHBondContact O-N 3.43Å
215E91Very high82.6Confident108 Ų10872.5 Ų72.551%0.50537%0.374SS..Hα-helixtrans-61.4-38.4175.4-73.8169.4-171.500112.1R211 T219R211-E215 WeakPolarHBondContact CG-OE1 3.26Å; R211-E215 IonicContact NE-OE1 3.81Å; R211-E215 VanDerWaalsContact O-CG 3.31Å; R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 2.85Å; E215-T219 PolarHBondContact O-N 3.43Å; E215-T219 VanDerWaalsContact O-N 3.16Å; E215-T219 PolarHBondContact O-OG1 2.94Å
216A87.1Confident80.6Confident27 Ų2776.3 Ų76.322%0.22340%0.397CS..Hα-helixtrans-66-36.7176.300000112.2M183 M212 S213 D214 T219 N220 L229M183-A216 HydrophobicContact CE-CB 4.33Å; M212-A216 WeakPolarHBondContact O-CB 3.44Å; M212-A216 PolarHBondContact O-N 3.43Å; M212-A216 VanDerWaalsContact O-N 3.11Å; S213-A216 PolarHBondContact O-N 2.99Å; D214-A216 VanDerWaalsContact C-N 3.31Å; D214-A216 PolarHBondContact O-N 3.21Å; A216-T219 PolarHBondContact O-N 3.49Å; A216-N220 PolarHBondContact O-N 3.3Å; A216-N220 VanDerWaalsContact O-N 3.16Å; A216-L229 HydrophobicContact CB-CD1 3.85Å
217K82.6Confident78.7Confident54 Ų5482.4 Ų82.424%0.23543%0.429CS..Hα-helixtrans-63-49.8176.3-68.2174.2-174.7-138.70111.8S213 D214 T219 N220 E221 D230S213-K217 WeakPolarHBondContact O-CG 3.28Å; S213-K217 PolarHBondContact O-N 3.22Å; S213-K217 VanDerWaalsContact O-N 3.15Å; D214-K217 WeakPolarHBondContact O-CB 3.4Å; D214-K217 PolarHBondContact O-N 2.85Å; K217-T219 PolarHBondContact O-N 2.96Å; K217-N220 PolarHBondContact O-N 2.92Å; K217-N220 VanDerWaalsContact O-N 3.15Å; K217-E221 PolarHBondContact O-N 3.38Å; K217-D230 WeakPolarHBondContact CD-OD2 3.47Å; K217-D230 VanDerWaalsContact CE-OD1 3.26Å; K217-D230 WeakPolarHBondContact CE-OD1 3.41Å; K217-D230 VanDerWaalsContact CE-OD2 3.27Å; K217-D230 WeakPolarHBondContact CE-OD2 3.41Å; K217-D230 IonicContact NZ-OD1 2.91Å; K217-D230 PolarHBondContact NZ-OD1 3.25Å; K217-D230 IonicContact NZ-OD2 3.3Å; K217-D230 PolarHBondContact NZ-OD2 2.98Å
218V83.2Confident77.5Confident85 Ų8577.8 Ų77.852%0.51541%0.414SS..Hα-helixtrans-61.5-35179.5177.40000111.6D214 H222D214-V218 PolarHBondContact O-N 3.43Å; V218-H222 PolarHBondContact O-ND1 2.93Å
219T79.7Confident76.5Confident76 Ų7677.5 Ų77.547%0.46641%0.413SS..Hα-helixtrans-68.3-38.3178-55.10000111.8E215 A216 K217 H222E215-T219 PolarHBondContact O-N 3.43Å; E215-T219 VanDerWaalsContact O-N 3.16Å; E215-T219 PolarHBondContact O-OG1 2.94Å; A216-T219 PolarHBondContact O-N 3.49Å; K217-T219 PolarHBondContact O-N 2.96Å; T219-H222 PolarHBondContact O-N 3.48Å
220N68.2Low75.3Confident31 Ų3180.3 Ų80.317%0.16643%0.428CS..Hα-helixtrans-72.6-28.1-179.9-74.4-10.6000113.6A216 K217 H222 Q223A216-N220 PolarHBondContact O-N 3.3Å; A216-N220 VanDerWaalsContact O-N 3.16Å; K217-N220 PolarHBondContact O-N 2.92Å; K217-N220 VanDerWaalsContact O-N 3.15Å; N220-H222 PolarHBondContact O-N 3.37Å; N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.95Å
221E65.3Low74.6Confident162 Ų16283.7 Ų83.776%0.75744%0.444SS*.THydrogen-bonded Turntrans-56.9-23.7171.6-69.2-179.6169.600112.5K217K217-E221 PolarHBondContact O-N 3.38Å
222H62.6Low74.1Confident155 Ų15579 Ų7972%0.71843%0.428SS*.THydrogen-bonded Turntrans-93.8-11.8177.4-63.480.6000113.7V218 T219 N220V218-H222 PolarHBondContact O-ND1 2.93Å; T219-H222 PolarHBondContact O-N 3.48Å; N220-H222 PolarHBondContact O-N 3.37Å
223Q57.4Low73.8Confident104 Ų10481.4 Ų81.449%0.48644%0.44SS..  trans-128100.2-174.6-64-174.814.200111.3N220 S225N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.95Å; Q223-S225 PolarHBondContact O-N 2.89Å
224T51.4Low73.8Confident159 Ų15982.2 Ų82.298%0.97545%0.445SS*.THydrogen-bonded Turntrans-66.110.5-174.921.20000116.8
225S52.9Low73.9Confident110 Ų11080.5 Ų80.577%0.76943%0.434SS*.THydrogen-bonded Turntrans-1314.6-166.645.80000116.6Q223Q223-S225 PolarHBondContact O-N 2.89Å
226V55.7Low74.1Confident80 Ų8075.7 Ų75.749%0.48541%0.412SS..SBendtrans-112.2126.4174.7-1730000108.5A228V226-A228 PolarHBondContact O-N 3.39Å
227N59.5Low74.4Confident128 Ų12876.7 Ų76.768%0.68441%0.412SS*.  trans-50.4116.3172.1-68.2-2.1000108.1E231N227-E231 WeakPolarHBondContact CA-OE2 3.36Å
228A70.9Confident75Confident24 Ų2474.2 Ų74.220%0.19840%0.402CS..  trans-66.3145.2-178.100000109V226 D230 E231V226-A228 PolarHBondContact O-N 3.39Å; A228-D230 PolarHBondContact O-N 2.87Å; A228-E231 HydrophobicContact CB-CG 4.09Å; A228-E231 PolarHBondContact N-OE2 3.17Å; A228-E231 WeakPolarHBondContact O-CB 3.42Å; A228-E231 PolarHBondContact O-N 2.88Å
229L76.1Confident75.7Confident17 Ų1770.2 Ų70.29%0.08938%0.377CS..G310 helixtrans-54.4-27177.4-70.8170.2000112.5M183 L191 A216 E231M183-L229 HydrophobicContact CE-CD1 3.93Å; L191-L229 HydrophobicContact CD2-CB 4.1Å; A216-L229 HydrophobicContact CB-CD1 3.85Å; L229-E231 VanDerWaalsContact C-N 3.32Å
230D73.9Confident76.6Confident61 Ų6166.6 Ų66.633%0.32636%0.355SS..G310 helixtrans-78.3-9177.8-69.7-30.8000114.4L191 K217 A228L191-D230 WeakPolarHBondContact CD1-OD1 3.39Å; K217-D230 WeakPolarHBondContact CD-OD2 3.47Å; K217-D230 VanDerWaalsContact CE-OD1 3.26Å; K217-D230 WeakPolarHBondContact CE-OD1 3.41Å; K217-D230 VanDerWaalsContact CE-OD2 3.27Å; K217-D230 WeakPolarHBondContact CE-OD2 3.41Å; K217-D230 IonicContact NZ-OD1 2.91Å; K217-D230 PolarHBondContact NZ-OD1 3.25Å; K217-D230 IonicContact NZ-OD2 3.3Å; K217-D230 PolarHBondContact NZ-OD2 2.98Å; A228-D230 PolarHBondContact O-N 2.87Å
231E79.3Confident78Confident109 Ų10965.1 Ų65.151%0.50935%0.347SS..G310 helixtrans-91.9-8.9177.1-65.7173.8164.400112.6N227 A228 L229 L663N227-E231 WeakPolarHBondContact CA-OE2 3.36Å; A228-E231 HydrophobicContact CB-CG 4.09Å; A228-E231 PolarHBondContact N-OE2 3.17Å; A228-E231 WeakPolarHBondContact O-CB 3.42Å; A228-E231 PolarHBondContact O-N 2.88Å; L229-E231 VanDerWaalsContact C-N 3.32Å; E231-L663 WeakPolarHBondContact O-CD1 3.31Å
232I84.2Confident79.6Confident42 Ų4257.4 Ų57.422%0.21531%0.311CS..SBendtrans-93.1115.9178.7-54.2176.3000108S187 S234S187-I232 WeakPolarHBondContact O-CD1 3.13Å; I232-S234 PolarHBondContact O-N 3.03Å
233E87.6Confident81.3Confident78 Ų7850.1 Ų50.136%0.36428%0.278SS..  trans-57.6130.9173.6-173.3-178.7177.900110.1Q235E233-Q235 PolarHBondContact O-N 3.39Å
234S91.1Very high83.2Confident23 Ų2345.2 Ų45.216%0.16125%0.254CS..  trans-71.7125.7-179.8-1690000111L191 P193 I232 T236L191-S234 WeakPolarHBondContact O-CB 3.33Å; L191-S234 PolarHBondContact O-OG 3.36Å; P193-S234 WeakPolarHBondContact CD-OG 3.39Å; I232-S234 PolarHBondContact O-N 3.03Å; S234-T236 VanDerWaalsContact C-N 3.33Å; S234-T236 PolarHBondContact OG-N 2.93Å; S234-T236 PolarHBondContact OG-O 2.99Å
235Q93.4Very high85.4Confident57 Ų5737.7 Ų37.727%0.26621%0.208SC..  trans-934.6174.7-58.2-176.724.200112.6L9 F189 E233L9-Q235 HydrophobicContact CD2-CB 3.69Å; F189-Q235 PolarHBondContact O-N 3.33Å; E233-Q235 PolarHBondContact O-N 3.39Å
236T94.2Very high87.5Confident7 Ų732.4 Ų32.44%0.04317%0.172CC..  trans-128.7149.1-175.866.20000110.1L9 F185 F192 P193 S234 I683 V685L9-T236 HydrophobicContact CD1-CG2 3.97Å; F185-T236 HydrophobicContact CE1-CG2 4Å; F185-T236 HydrophobicContact CZ-CG2 4.05Å; F192-T236 WeakPolarHBondContact CD1-OG1 3.33Å; P193-T236 WeakPolarHBondContact CD-O 3.17Å; P193-T236 WeakPolarHBondContact CG-O 3.45Å; S234-T236 VanDerWaalsContact C-N 3.33Å; S234-T236 PolarHBondContact OG-N 2.93Å; S234-T236 PolarHBondContact OG-O 2.99Å; T236-I683 HydrophobicContact CG2-CG2 4.16Å; T236-V685 HydrophobicContact CG2-CG2 3.71Å
237E93.1Very high89.5Confident48 Ų4828.6 Ų28.622%0.22415%0.149CC..SBendtrans-94.8-38.1178.3-164.2-156.8144.400112.5K194 R682 I683K194-E237 PolarHBondContact N-O 3.02Å; K194-E237 IonicContact NZ-OE1 3.91Å; K194-E237 PolarHBondContact NZ-OE1 2.89Å; E237-R682 VanDerWaalsContact CD-NH2 3.26Å; E237-R682 IonicContact OE1-CZ 3.23Å; E237-R682 IonicContact OE1-NE 3.95Å; E237-R682 IonicContact OE1-NH2 3.88Å; E237-R682 PolarHBondContact OE1-NH2 2.47Å; E237-R682 IonicContact OE2-CZ 3.42Å; E237-R682 IonicContact OE2-NE 3.13Å; E237-R682 PolarHBondContact OE2-NE 3.45Å; E237-R682 IonicContact OE2-NH2 2.76Å; E237-R682 PolarHBondContact OE2-NH2 3.31Å; E237-I683 PolarHBondContact N-O 2.92Å
238L95Very high91.3Very high3 Ų322.5 Ų22.52%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-149.7133-167.2171.964.4000111.2K194 Y196 I240 V684 V685K194-L238 HydrophobicContact CB-CB 4.28Å; K194-L238 HydrophobicContact CB-CD1 3.42Å; K194-L238 VanDerWaalsContact CB-CD1 3.42Å; K194-L238 HydrophobicContact CB-CG 4.44Å; Y196-L238 HydrophobicContact CD1-CD1 4.03Å; Y196-L238 HydrophobicContact CD2-CD1 3.66Å; Y196-L238 HydrophobicContact CD2-CD2 4.06Å; Y196-L238 HydrophobicContact CE1-CD1 4.19Å; Y196-L238 HydrophobicContact CE2-CD1 3.86Å; Y196-L238 HydrophobicContact CE2-CD2 4.06Å; Y196-L238 HydrophobicContact CG-CD1 3.75Å; L238-I240 HydrophobicContact CD1-CG1 4.35Å; L238-I240 HydrophobicContact CD2-CD1 3.81Å; L238-I240 HydrophobicContact CD2-CG1 3.72Å; L238-I240 HydrophobicContact CG-CD1 4.43Å; L238-I240 HydrophobicContact CG-CG1 3.85Å; L238-V684 HydrophobicContact CB-CG1 4.38Å; L238-V684 HydrophobicContact CB-CG2 4.39Å; L238-V684 HydrophobicContact CD2-CG1 4.27Å; L238-V684 HydrophobicContact CG-CG1 4.33Å; L238-V685 PolarHBondContact O-N 3.35Å
239L98.2Very high92.6Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-100121.4162.8174.663.4000109.9L182 F192 K194 I195 Y196 L209 L241 V685L182-L239 HydrophobicContact CD1-CD2 4.47Å; F192-L239 HydrophobicContact CB-CB 4.05Å; F192-L239 HydrophobicContact CD1-CB 3.7Å; F192-L239 HydrophobicContact CD2-CB 4.22Å; F192-L239 HydrophobicContact CD2-CD2 3.71Å; F192-L239 HydrophobicContact CE1-CB 4.16Å; F192-L239 HydrophobicContact CE1-CD1 4.46Å; F192-L239 HydrophobicContact CE2-CD2 3.79Å; F192-L239 HydrophobicContact CG-CB 3.72Å; F192-L239 HydrophobicContact CG-CD2 4.1Å; F192-L239 HydrophobicContact CG-CG 4.48Å; F192-L239 HydrophobicContact CZ-CD1 4.42Å; F192-L239 HydrophobicContact CZ-CD2 4.24Å; K194-L239 PolarHBondContact O-N 3.23Å; I195-L239 CarbonylContact C-O 3.52Å; I195-L239 WeakPolarHBondContact CA-O 3.46Å; I195-L239 HydrophobicContact CG1-CB 4.34Å; I195-L239 HydrophobicContact CG1-CD2 4.36Å; I195-L239 HydrophobicContact CG2-CD2 4.17Å; I195-L239 HydrophobicContact CG2-CG 4.45Å; Y196-L239 PolarHBondContact N-O 2.76Å; L209-L239 HydrophobicContact CD2-CD2 3.91Å; L239-L241 HydrophobicContact CD1-CD2 4.09Å; L239-L241 HydrophobicContact CD1-CG 4.3Å; L239-L241 HydrophobicContact CD2-CD1 4.1Å; L239-L241 HydrophobicContact CD2-CD2 4.26Å; L239-L241 HydrophobicContact CD2-CG 4.09Å; L239-L241 HydrophobicContact CG-CD1 4.49Å; L239-L241 HydrophobicContact CG-CD2 4.28Å; L239-L241 HydrophobicContact CG-CG 4Å; L239-V685 CarbonylContact C-O 3.56Å; L239-V685 WeakPolarHBondContact CA-O 3.34Å; L239-V685 HydrophobicContact CD1-CB 3.99Å; L239-V685 HydrophobicContact CD1-CG1 3.71Å
240I98.3Very high93.7Very high0 Ų020.6 Ų20.60%010%0.102CC..EExtended strand (participates in β ladder)trans-105.5117.9171.1-67.1176.4000108.4Y196 L238 I242 I543 W546 T547 V684 V685 V686 G687Y196-I240 CarbonylContact O-C 3.11Å; Y196-I240 WeakPolarHBondContact O-CA 3.47Å; L238-I240 HydrophobicContact CD1-CG1 4.35Å; L238-I240 HydrophobicContact CD2-CD1 3.81Å; L238-I240 HydrophobicContact CD2-CG1 3.72Å; L238-I240 HydrophobicContact CG-CD1 4.43Å; L238-I240 HydrophobicContact CG-CG1 3.85Å; I240-I242 HydrophobicContact CG2-CD1 4.02Å; I240-I242 HydrophobicContact CG2-CG1 3.85Å; I240-I543 HydrophobicContact CD1-CG2 4.26Å; I240-I543 HydrophobicContact CG2-CG1 4.35Å; I240-W546 HydrophobicContact CB-CE3 4.41Å; I240-W546 HydrophobicContact CD1-CB 4.01Å; I240-W546 HydrophobicContact CD1-CE3 4.37Å; I240-W546 HydrophobicContact CG1-CE3 4.14Å; I240-W546 HydrophobicContact CG2-CE3 3.62Å; I240-W546 HydrophobicContact CG2-CZ3 3.81Å; I240-T547 HydrophobicContact CD1-CG2 4.18Å; I240-V684 HydrophobicContact CD1-CG1 3.92Å; I240-V684 HydrophobicContact CG1-CG1 4.27Å; I240-V685 PolarHBondContact N-O 3Å; I240-V686 CarbonylContact O-C 3.53Å; I240-V686 WeakPolarHBondContact O-CA 3.37Å; I240-G687 PolarHBondContact O-N 3.03Å
241L98.8Very high94.8Very high0 Ų017.8 Ų17.80%09%0.087CC..EExtended strand (participates in β ladder)trans-105.6125.5175.1-65.6167.3000110.4F178 L182 I195 Y196 A197 K198 A202 V205 A206 L239 G687F178-L241 HydrophobicContact CE1-CD2 4.03Å; L182-L241 HydrophobicContact CD1-CD2 4.26Å; I195-L241 HydrophobicContact CG2-CD1 4.17Å; Y196-L241 PolarHBondContact O-N 3.18Å; A197-L241 CarbonylContact C-O 3.57Å; A197-L241 VanDerWaalsContact CA-O 3.28Å; A197-L241 WeakPolarHBondContact CA-O 3.5Å; A197-L241 HydrophobicContact CB-CB 3.96Å; A197-L241 HydrophobicContact CB-CD1 4.44Å; K198-L241 PolarHBondContact N-O 2.64Å; A202-L241 HydrophobicContact CB-CB 3.81Å; V205-L241 HydrophobicContact CB-CD1 4.16Å; V205-L241 HydrophobicContact CG1-CD1 3.68Å; V205-L241 HydrophobicContact CG1-CD2 3.99Å; V205-L241 HydrophobicContact CG1-CG 4.48Å; A206-L241 HydrophobicContact CB-CD1 3.86Å; L239-L241 HydrophobicContact CD1-CD2 4.09Å; L239-L241 HydrophobicContact CD1-CG 4.3Å; L239-L241 HydrophobicContact CD2-CD1 4.1Å; L239-L241 HydrophobicContact CD2-CD2 4.26Å; L239-L241 HydrophobicContact CD2-CG 4.09Å; L239-L241 HydrophobicContact CG-CD1 4.49Å; L239-L241 HydrophobicContact CG-CD2 4.28Å; L239-L241 HydrophobicContact CG-CG 4Å; L241-G687 CarbonylContact C-O 3.57Å; L241-G687 WeakPolarHBondContact CA-O 3.44Å
242I98.6Very high95.7Very high0 Ų012.6 Ų12.60%06%0.063CC..EExtended strand (participates in β ladder)trans-122.1119.3-179.2-58177.2000109.1I240 V246 L542 I543 V686 G687 F688 V689I240-I242 HydrophobicContact CG2-CD1 4.02Å; I240-I242 HydrophobicContact CG2-CG1 3.85Å; I242-V246 HydrophobicContact CG2-CB 4.3Å; I242-L542 HydrophobicContact CD1-CD2 4.39Å; I242-L542 HydrophobicContact CG1-CD2 4.38Å; I242-I543 HydrophobicContact CD1-CD1 3.73Å; I242-I543 HydrophobicContact CD1-CG1 3.52Å; I242-V686 HydrophobicContact CD1-CG1 4.49Å; I242-G687 PolarHBondContact N-O 2.8Å; I242-F688 HydrophobicContact CB-CD1 4.41Å; I242-F688 HydrophobicContact CD1-CE1 4.39Å; I242-V689 PolarHBondContact O-N 3.24Å
243D97.7Very high96.4Very high3 Ų310.8 Ų10.82%0.0165%0.054CC..EExtended strand (participates in β ladder)trans-72.9130.2167.9-175.7-13.6000109.2K198 K201 A202 A245 V246K198-D243 WeakPolarHBondContact O-CB 3.4Å; K198-D243 PolarHBondContact O-N 3.27Å; K201-D243 HydrophobicContact CB-CB 4.31Å; K201-D243 VanDerWaalsContact CB-OD2 3.22Å; K201-D243 WeakPolarHBondContact CB-OD2 3.3Å; K201-D243 WeakPolarHBondContact CG-OD2 3.37Å; K201-D243 PolarHBondContact N-OD2 3.49Å; K201-D243 VanDerWaalsContact N-OD2 3.13Å; A202-D243 HydrophobicContact CB-CB 4.11Å; D243-A245 PolarHBondContact O-N 3.28Å; D243-A245 WeakPolarHBondContact OD1-CB 3.28Å; D243-A245 PolarHBondContact OD1-N 3.12Å; D243-V246 HydrophobicContact CB-CG2 4.22Å; D243-V246 WeakPolarHBondContact O-CB 3.28Å; D243-V246 WeakPolarHBondContact O-CG2 3.38Å; D243-V246 PolarHBondContact O-N 3.21Å
244R97.4Very high96.9Very high0 Ų07.2 Ų7.20%04%0.038CC..G310 helixtrans-53.9-28.6177.2-170.568.9-88.3172.9-9.6113F163 V246 D247 P251 V689 G691 E696 I721 F726F163-R244 HydrophobicContact CD2-CB 3.83Å; F163-R244 HydrophobicContact CD2-CG 4.25Å; F163-R244 HydrophobicContact CE2-CB 4.11Å; F163-R244 HydrophobicContact CE2-CG 4.45Å; R244-V246 PolarHBondContact O-N 3.04Å; R244-V246 VanDerWaalsContact O-N 3.14Å; R244-D247 PolarHBondContact NE-O 3.13Å; R244-D247 VanDerWaalsContact NH2-CB 3.3Å; R244-D247 PolarHBondContact NH2-O 2.89Å; R244-D247 IonicContact NH2-OD2 3Å; R244-D247 PolarHBondContact NH2-OD2 2.83Å; R244-D247 CarbonylContact O-C 3.45Å; R244-D247 PolarHBondContact O-N 3.19Å; R244-P251 HydrophobicContact CG-CG 4.22Å; R244-V689 PolarHBondContact N-O 3.26Å; R244-G691 WeakPolarHBondContact CD-O 3.21Å; R244-G691 PolarHBondContact NH1-O 2.62Å; R244-E696 IonicContact CZ-OE1 3.82Å; R244-E696 IonicContact NH1-OE1 3.65Å; R244-E696 PolarHBondContact NH1-OE1 2.95Å; R244-E696 IonicContact NH1-OE2 2.78Å; R244-E696 PolarHBondContact NH1-OE2 3.02Å; R244-E696 VanDerWaalsContact NH1-OE2 3.12Å; R244-E696 IonicContact NH2-OE1 3.02Å; R244-E696 PolarHBondContact NH2-OE1 3.43Å; R244-I721 HydrophobicContact CG-CD1 4.27Å; R244-F726 HydrophobicContact CG-CE2 4.3Å
245A96.8Very high97.3Very high1 Ų16.2 Ų6.21%0.0083%0.03CC..G310 helixtrans-60.5-18.4174.700000114.3F163 D243 D247 L491 I495 I498F163-A245 HydrophobicContact CE2-CB 4.49Å; D243-A245 PolarHBondContact O-N 3.28Å; D243-A245 WeakPolarHBondContact OD1-CB 3.28Å; D243-A245 PolarHBondContact OD1-N 3.12Å; A245-D247 VanDerWaalsContact C-N 3.31Å; A245-L491 HydrophobicContact CB-CD1 3.31Å; A245-I495 HydrophobicContact CB-CD1 4.08Å; A245-I495 HydrophobicContact CB-CG1 4.1Å; A245-I495 WeakPolarHBondContact O-CG1 3.31Å; A245-I498 WeakPolarHBondContact O-CD1 3.5Å
246V97.7Very high97.5Very high0 Ų04 Ų40%02%0.02CC..G310 helixtrans-72.3-27.2174.5174.10000112K198 I242 D243 R244 L542 I648 A650K198-V246 HydrophobicContact CB-CG2 4.09Å; K198-V246 HydrophobicContact CG-CG1 4.07Å; K198-V246 HydrophobicContact CG-CG2 3.79Å; K198-V246 WeakPolarHBondContact O-CG2 3.23Å; I242-V246 HydrophobicContact CG2-CB 4.3Å; D243-V246 HydrophobicContact CB-CG2 4.22Å; D243-V246 WeakPolarHBondContact O-CB 3.28Å; D243-V246 WeakPolarHBondContact O-CG2 3.38Å; D243-V246 PolarHBondContact O-N 3.21Å; R244-V246 PolarHBondContact O-N 3.04Å; R244-V246 VanDerWaalsContact O-N 3.14Å; V246-L542 HydrophobicContact CG1-CD2 4.16Å; V246-I648 HydrophobicContact CG1-CG2 3.67Å; V246-A650 HydrophobicContact CG2-CB 3.97Å
247D98.2Very high97.7Very high0 Ų03.7 Ų3.70%02%0.018CC..  trans-144.474177.5-178.97.7000109.6R244 A245 L249 T250 P251 P537 I538 S539R244-D247 PolarHBondContact NE-O 3.13Å; R244-D247 VanDerWaalsContact NH2-CB 3.3Å; R244-D247 PolarHBondContact NH2-O 2.89Å; R244-D247 IonicContact NH2-OD2 3Å; R244-D247 PolarHBondContact NH2-OD2 2.83Å; R244-D247 CarbonylContact O-C 3.45Å; R244-D247 PolarHBondContact O-N 3.19Å; A245-D247 VanDerWaalsContact C-N 3.31Å; D247-L249 PolarHBondContact O-N 2.68Å; D247-T250 PolarHBondContact OD1-N 2.92Å; D247-T250 PolarHBondContact OD1-OG1 3.16Å; D247-T250 WeakPolarHBondContact OD2-CB 3.44Å; D247-T250 PolarHBondContact OD2-OG1 3.09Å; D247-P251 WeakPolarHBondContact O-CD 3.43Å; D247-P537 WeakPolarHBondContact OD2-CB 3.39Å; D247-I538 HydrophobicContact CB-CB 3.87Å; D247-I538 HydrophobicContact CB-CG2 4.4Å; D247-I538 PolarHBondContact OD2-N 3.48Å; D247-S539 PolarHBondContact OD2-N 3.08Å; D247-S539 PolarHBondContact OD2-OG 3.28Å
248P96.9Very high97.9Very high0 Ų01.4 Ų1.40%01%0.007CC..  trans-78.2-9.7-178.833.6-36.4000112.7F415 L452 I495P248-F415 HydrophobicContact CG-CD2 3.92Å; P248-F415 HydrophobicContact CG-CE2 3.48Å; P248-F415 VanDerWaalsContact CG-CE2 3.48Å; P248-F415 HydrophobicContact CG-CZ 4.35Å; P248-L452 HydrophobicContact CB-CD2 3.79Å; P248-L452 HydrophobicContact CG-CD2 4.45Å; P248-I495 HydrophobicContact CB-CD1 4.29Å; P248-I495 HydrophobicContact CB-CG1 4.48Å; P248-I495 HydrophobicContact CG-CD1 4.49Å; P248-I495 HydrophobicContact CG-CG1 4.16Å; P248-I495 HydrophobicContact CG-CG2 4.03Å
249L98.4Very high98.1Very high0 Ų01.3 Ų1.30%01%0.007CC..SBendtrans-74.9-49.7-179.317660000111.4D247 P251 L252 L253 I412 F415 Y502 Y535D247-L249 PolarHBondContact O-N 2.68Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; L249-L252 VanDerWaalsContact O-CB 3.32Å; L249-L252 WeakPolarHBondContact O-CB 3.4Å; L249-L252 PolarHBondContact O-N 3.42Å; L249-L253 HydrophobicContact CD1-CD2 3.99Å; L249-L253 HydrophobicContact CG-CD1 4.43Å; L249-L253 HydrophobicContact CG-CD2 4.36Å; L249-L253 HydrophobicContact CG-CG 4.47Å; L249-I412 HydrophobicContact CD1-CB 4.39Å; L249-I412 HydrophobicContact CD1-CG1 4.1Å; L249-I412 HydrophobicContact CD1-CG2 4Å; L249-F415 HydrophobicContact CB-CD1 3.8Å; L249-F415 HydrophobicContact CB-CE1 3.62Å; L249-F415 HydrophobicContact CB-CG 4.33Å; L249-F415 HydrophobicContact CB-CZ 4.02Å; L249-F415 HydrophobicContact CD1-CD1 3.97Å; L249-F415 HydrophobicContact CD2-CD1 3.84Å; L249-F415 HydrophobicContact CD2-CE1 3.7Å; L249-F415 HydrophobicContact CG-CD1 4.08Å; L249-F415 HydrophobicContact CG-CE1 4.14Å; L249-Y502 HydrophobicContact CD2-CE2 3.88Å; L249-Y535 HydrophobicContact CD2-CE2 4.21Å
250T98.6Very high98.1Very high0 Ų01.3 Ų1.30%01%0.007CC..G310 helixtrans-53.2-42.9-172.5-60.70000114.4D247 L252 L253 F532 P537 E696D247-T250 PolarHBondContact OD1-N 2.92Å; D247-T250 PolarHBondContact OD1-OG1 3.16Å; D247-T250 WeakPolarHBondContact OD2-CB 3.44Å; D247-T250 PolarHBondContact OD2-OG1 3.09Å; T250-L252 PolarHBondContact O-N 2.81Å; T250-L252 VanDerWaalsContact O-N 3.15Å; T250-L253 PolarHBondContact O-N 3.07Å; T250-L253 VanDerWaalsContact O-N 3.13Å; T250-F532 HydrophobicContact CG2-CE1 4.1Å; T250-F532 HydrophobicContact CG2-CE2 4.01Å; T250-F532 HydrophobicContact CG2-CZ 3.64Å; T250-P537 HydrophobicContact CG2-CB 3.91Å; T250-P537 HydrophobicContact CG2-CG 3.63Å; T250-P537 WeakPolarHBondContact OG1-CB 3.37Å; T250-E696 HydrophobicContact CG2-CG 3.77Å
251P98.1Very high98.1Very high2 Ų21.4 Ų1.41%0.0131%0.008CC..G310 helixtrans-62.5-19.9176.7-23.835.1000114.8R244 D247 L249 I721 T722 A723 F726R244-P251 HydrophobicContact CG-CG 4.22Å; D247-P251 WeakPolarHBondContact O-CD 3.43Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; P251-I721 HydrophobicContact CB-CD1 3.75Å; P251-I721 HydrophobicContact CB-CG1 4.25Å; P251-I721 HydrophobicContact CG-CD1 3.59Å; P251-I721 HydrophobicContact CG-CG1 4.46Å; P251-T722 CarbonylContact O-C 3.54Å; P251-A723 WeakPolarHBondContact O-CA 3.38Å; P251-A723 VanDerWaalsContact O-CB 3.28Å; P251-A723 WeakPolarHBondContact O-CB 3.22Å; P251-A723 PolarHBondContact O-N 2.96Å; P251-F726 HydrophobicContact CB-CB 4.28Å; P251-F726 HydrophobicContact CB-CD1 4.06Å; P251-F726 HydrophobicContact CB-CD2 4.37Å; P251-F726 HydrophobicContact CB-CE1 4.49Å; P251-F726 HydrophobicContact CB-CG 4Å
252L98.5Very high98Very high0 Ų01.4 Ų1.40%01%0.008CC..G310 helixtrans-83.7-18.6179.8-57.8171000112.1L249 T250 R408 C411 I412 F726 I727L249-L252 VanDerWaalsContact O-CB 3.32Å; L249-L252 WeakPolarHBondContact O-CB 3.4Å; L249-L252 PolarHBondContact O-N 3.42Å; T250-L252 PolarHBondContact O-N 2.81Å; T250-L252 VanDerWaalsContact O-N 3.15Å; L252-R408 HydrophobicContact CD2-CB 4.45Å; L252-R408 PolarHBondContact O-NE 2.68Å; L252-R408 PolarHBondContact O-NH2 3.41Å; L252-C411 HydrophobicContact CD1-CB 3.75Å; L252-C411 HydrophobicContact CD2-CB 4.49Å; L252-I412 HydrophobicContact CB-CD1 3.78Å; L252-I412 HydrophobicContact CB-CG1 3.53Å; L252-I412 HydrophobicContact CD1-CG1 3.96Å; L252-I412 HydrophobicContact CG-CG1 4.38Å; L252-F726 HydrophobicContact CD2-CD1 3.78Å; L252-F726 HydrophobicContact CD2-CE1 4.14Å; L252-F726 HydrophobicContact CG-CD1 4.45Å; L252-I727 HydrophobicContact CD2-CD1 3.59Å; L252-I727 HydrophobicContact CD2-CG1 3.96Å
253L98.6Very high98Very high4 Ų42 Ų22%0.0211%0.011CC..SBendtrans-80.9155-175.6-53.8-174000111.9L249 T250 I381 R408 I412 F532 Y535L249-L253 HydrophobicContact CD1-CD2 3.99Å; L249-L253 HydrophobicContact CG-CD1 4.43Å; L249-L253 HydrophobicContact CG-CD2 4.36Å; L249-L253 HydrophobicContact CG-CG 4.47Å; T250-L253 PolarHBondContact O-N 3.07Å; T250-L253 VanDerWaalsContact O-N 3.13Å; L253-I381 HydrophobicContact CD1-CD1 3.85Å; L253-I381 HydrophobicContact CD2-CD1 3.81Å; L253-I381 HydrophobicContact CD2-CG1 4.4Å; L253-I381 HydrophobicContact CG-CD1 4.48Å; L253-R408 PolarHBondContact O-NH2 3.1Å; L253-I412 HydrophobicContact CD2-CD1 3.89Å; L253-I412 HydrophobicContact CD2-CG1 4.28Å; L253-F532 HydrophobicContact CB-CD1 3.86Å; L253-F532 HydrophobicContact CB-CE1 4.21Å; L253-F532 HydrophobicContact CD1-CD1 4.32Å; L253-Y535 HydrophobicContact CD1-CD1 3.46Å; L253-Y535 VanDerWaalsContact CD1-CD1 3.46Å; L253-Y535 HydrophobicContact CD1-CE1 3.71Å; L253-Y535 HydrophobicContact CD1-CG 4.21Å
254N98.1Very high97.9Very high4 Ų43 Ų32%0.0212%0.015CC..PPolyproline II helixtrans-71.7132171.6-72.89.8000110.3L256 F370 L374 Q377 R408 F532N254-L256 HydrophobicContact CB-CD2 4.38Å; N254-F370 WeakPolarHBondContact ND2-CE2 3.41Å; N254-L374 HydrophobicContact CB-CD1 4.18Å; N254-Q377 PolarHBondContact OD1-NE2 2.84Å; N254-R408 PolarHBondContact OD1-NH1 2.95Å; N254-R408 PolarHBondContact OD1-NH2 2.93Å; N254-F532 WeakPolarHBondContact O-CD1 3.31Å
255Q98.2Very high97.8Very high2 Ų27.6 Ų7.61%0.0094%0.035CC..PPolyproline II helixtrans-83.3126.6170.9-59.3176.174.100109.6L261 E264 F532 A695Q255-L261 WeakPolarHBondContact O-CD2 3.45Å; Q255-L261 WeakPolarHBondContact O-CG 3.32Å; Q255-E264 HydrophobicContact CB-CG 4.43Å; Q255-E264 PolarHBondContact NE2-OE1 3.46Å; Q255-F532 HydrophobicContact CG-CE1 3.99Å; Q255-F532 HydrophobicContact CG-CZ 4.33Å; Q255-A695 HydrophobicContact CB-CB 3.86Å; Q255-A695 HydrophobicContact CG-CB 3.9Å
256L98.3Very high97.7Very high10 Ų1010.3 Ų10.35%0.0525%0.046CC..  trans-104.27.9-176.3-56.1-175.5000114.3N254 F304 F370 L374 L531N254-L256 HydrophobicContact CB-CD2 4.38Å; L256-F304 PolarHBondContact O-N 2.93Å; L256-F370 HydrophobicContact CD2-CZ 4.06Å; L256-L374 HydrophobicContact CD2-CD1 4.31Å; L256-L374 HydrophobicContact CD2-CD2 4.36Å; L256-L531 WeakPolarHBondContact CB-O 3.32Å; L256-L531 PolarHBondContact N-O 3.46Å
257T98.3Very high97.5Very high0 Ų011.5 Ų11.50%06%0.058CC..BIsolated β-bridgetrans-78158.8169.759.60000110.9A259 G260 L261 Q302 L531 A695T257-A259 PolarHBondContact O-N 2.98Å; T257-G260 PolarHBondContact O-N 3.48Å; T257-G260 WeakPolarHBondContact OG1-CA 3.48Å; T257-G260 PolarHBondContact OG1-N 2.94Å; T257-L261 WeakPolarHBondContact O-CG 3.16Å; T257-L261 PolarHBondContact O-N 3.02Å; T257-Q302 VanDerWaalsContact CA-O 3.28Å; T257-Q302 WeakPolarHBondContact CA-O 3.25Å; T257-L531 HydrophobicContact CG2-CB 4.12Å; T257-L531 HydrophobicContact CG2-CD1 3.74Å; T257-L531 HydrophobicContact CG2-CD2 3.69Å; T257-L531 HydrophobicContact CG2-CG 4.03Å; T257-A695 HydrophobicContact CG2-CB 4.15Å
258Y98.5Very high97.3Very high0 Ų011.6 Ų11.60%06%0.058CC..Hα-helixtrans-55.1-51.8173.2178-95.1000111.9G260 L261 V262 Y296 I299 Q302 F304 V307 H354 L357 A358 I361Y258-G260 VanDerWaalsContact C-N 3.34Å; Y258-G260 PolarHBondContact O-N 3.34Å; Y258-L261 PolarHBondContact O-N 2.94Å; Y258-V262 HydrophobicContact CD1-CG2 4.31Å; Y258-V262 HydrophobicContact CE1-CG2 3.86Å; Y258-V262 HydrophobicContact CE2-CG2 4.37Å; Y258-V262 WeakPolarHBondContact O-CG2 3.38Å; Y258-V262 PolarHBondContact O-N 2.92Å; Y258-Y296 HydrophobicContact CD1-CD2 4.14Å; Y258-Y296 HydrophobicContact CD1-CE2 4.03Å; Y258-Y296 AromaticContact CE1-CD2 3.85Å; Y258-Y296 HydrophobicContact CE1-CD2 3.85Å; Y258-Y296 AromaticContact CE1-CE2 3.95Å; Y258-Y296 HydrophobicContact CE1-CE2 3.95Å; Y258-I299 VanDerWaalsContact CB-O 3.26Å; Y258-I299 WeakPolarHBondContact CB-O 3.32Å; Y258-I299 HydrophobicContact CD1-CD1 3.94Å; Y258-I299 HydrophobicContact CD1-CG1 3.82Å; Y258-I299 HydrophobicContact CD2-CD1 4.08Å; Y258-I299 HydrophobicContact CD2-CG1 4.5Å; Y258-I299 HydrophobicContact CE1-CD1 3.85Å; Y258-I299 HydrophobicContact CE1-CG1 4.16Å; Y258-I299 HydrophobicContact CE2-CD1 3.96Å; Y258-I299 HydrophobicContact CG-CD1 4.07Å; Y258-I299 HydrophobicContact CG-CG1 4.03Å; Y258-Q302 PolarHBondContact N-O 2.84Å; Y258-Q302 VanDerWaalsContact N-O 3.07Å; Y258-F304 HydrophobicContact CD2-CD2 4.21Å; Y258-F304 HydrophobicContact CD2-CE2 4.26Å; Y258-V307 HydrophobicContact CD2-CG1 4.05Å; Y258-V307 HydrophobicContact CD2-CG2 4.29Å; Y258-H354 AromaticContact CE1-ND1 3.64Å; Y258-H354 AromaticContact CZ-ND1 3.46Å; Y258-H354 PolarHBondContact OH-ND1 3.34Å; Y258-L357 WeakPolarHBondContact OH-CB 3.06Å; Y258-L357 VanDerWaalsContact OH-CD1 3.31Å; Y258-L357 WeakPolarHBondContact OH-CD1 3.41Å; Y258-A358 HydrophobicContact CE2-CB 4.43Å; Y258-I361 HydrophobicContact CD2-CD1 3.98Å; Y258-I361 HydrophobicContact CE2-CD1 3.67Å
259A97.8Very high97.1Very high1 Ų116.9 Ų16.91%0.0088%0.078CC..Hα-helixtrans-63.9-40.5179.900000112.3T257 V262 D263 Y296 R300 H694T257-A259 PolarHBondContact O-N 2.98Å; A259-V262 PolarHBondContact O-N 3.06Å; A259-D263 WeakPolarHBondContact O-CB 3.5Å; A259-D263 PolarHBondContact O-N 3.36Å; A259-Y296 HydrophobicContact CB-CE2 4.23Å; A259-Y296 WeakPolarHBondContact CB-OH 3.29Å; A259-R300 HydrophobicContact CB-CB 4.02Å; A259-R300 WeakPolarHBondContact CB-O 3.39Å; A259-R300 PolarHBondContact N-O 3.2Å; A259-R300 VanDerWaalsContact N-O 3.1Å; A259-H694 HydrophobicContact CB-CB 4.26Å
260G98.3Very high96.8Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-58.6-47.5175.900000112.2T257 Y258 V262 D263 E264T257-G260 PolarHBondContact O-N 3.48Å; T257-G260 WeakPolarHBondContact OG1-CA 3.48Å; T257-G260 PolarHBondContact OG1-N 2.94Å; Y258-G260 VanDerWaalsContact C-N 3.34Å; Y258-G260 PolarHBondContact O-N 3.34Å; G260-V262 PolarHBondContact O-N 3.49Å; G260-D263 PolarHBondContact O-N 3.36Å; G260-E264 VanDerWaalsContact O-CG 3.28Å; G260-E264 WeakPolarHBondContact O-CG 3.32Å; G260-E264 PolarHBondContact O-N 2.91Å
261L98.5Very high96.4Very high3 Ų318.1 Ų18.12%0.0168%0.084CC..Hα-helixtrans-67.9-35.1179-71.1171.1000113.4Q255 T257 Y258 D263 K265 F304 I361 V365 F370Q255-L261 WeakPolarHBondContact O-CD2 3.45Å; Q255-L261 WeakPolarHBondContact O-CG 3.32Å; T257-L261 WeakPolarHBondContact O-CG 3.16Å; T257-L261 PolarHBondContact O-N 3.02Å; Y258-L261 PolarHBondContact O-N 2.94Å; L261-D263 VanDerWaalsContact C-N 3.31Å; L261-K265 WeakPolarHBondContact O-CB 3.44Å; L261-K265 PolarHBondContact O-N 3.11Å; L261-F304 HydrophobicContact CD1-CB 3.39Å; L261-F304 HydrophobicContact CD1-CD1 3.92Å; L261-F304 HydrophobicContact CD1-CD2 3.91Å; L261-F304 HydrophobicContact CD1-CG 3.44Å; L261-F304 VanDerWaalsContact CD1-CG 3.44Å; L261-I361 HydrophobicContact CB-CG2 3.81Å; L261-I361 HydrophobicContact CD1-CG2 3.69Å; L261-I361 HydrophobicContact CG-CG2 4.33Å; L261-V365 HydrophobicContact CD1-CG1 3.83Å; L261-V365 HydrophobicContact CD2-CG1 3.83Å; L261-V365 HydrophobicContact CG-CG1 4.45Å; L261-F370 HydrophobicContact CD2-CE2 3.98Å; L261-F370 HydrophobicContact CD2-CZ 3.97Å
262V97.6Very high96Very high0 Ų018.6 Ų18.60%09%0.086CC..Hα-helixtrans-61.1-44.6172172.60000110.4Y258 A259 G260 K265 W266 G267 I268 C273 L289 I361Y258-V262 HydrophobicContact CD1-CG2 4.31Å; Y258-V262 HydrophobicContact CE1-CG2 3.86Å; Y258-V262 HydrophobicContact CE2-CG2 4.37Å; Y258-V262 WeakPolarHBondContact O-CG2 3.38Å; Y258-V262 PolarHBondContact O-N 2.92Å; A259-V262 PolarHBondContact O-N 3.06Å; G260-V262 PolarHBondContact O-N 3.49Å; V262-K265 PolarHBondContact O-N 3.22Å; V262-W266 HydrophobicContact CG1-CE3 4.15Å; V262-W266 HydrophobicContact CG2-CZ3 4.44Å; V262-W266 PolarHBondContact O-N 2.86Å; V262-G267 PolarHBondContact O-N 3.41Å; V262-I268 HydrophobicContact CB-CD1 4.19Å; V262-I268 HydrophobicContact CG1-CD1 3.9Å; V262-I268 HydrophobicContact CG1-CG1 3.92Å; V262-C273 HydrophobicContact CG1-CB 4.17Å; V262-L289 HydrophobicContact CG1-CD1 3.69Å; V262-I361 HydrophobicContact CG2-CD1 3.51Å
263D97.3Very high95.7Very high13 Ų1318.6 Ų18.67%0.079%0.086CC..Hα-helixtrans-67.4-43178.9-16835.6000112.2A259 G260 L261 K265 G267 I268 H694 T722A259-D263 WeakPolarHBondContact O-CB 3.5Å; A259-D263 PolarHBondContact O-N 3.36Å; G260-D263 PolarHBondContact O-N 3.36Å; L261-D263 VanDerWaalsContact C-N 3.31Å; D263-K265 VanDerWaalsContact C-N 3.29Å; D263-K265 PolarHBondContact O-N 2.99Å; D263-G267 VanDerWaalsContact O-CA 3.22Å; D263-G267 WeakPolarHBondContact O-CA 3.42Å; D263-G267 PolarHBondContact O-N 2.78Å; D263-G267 VanDerWaalsContact OD1-CA 3.32Å; D263-G267 WeakPolarHBondContact OD1-CA 3.44Å; D263-I268 HydrophobicContact CB-CB 4.46Å; D263-I268 HydrophobicContact CB-CD1 4.07Å; D263-I268 HydrophobicContact CB-CG1 4Å; D263-I268 PolarHBondContact OD1-N 3.23Å; D263-H694 IonicContact OD2-CD2 2.7Å; D263-H694 PolarHBondContact OD2-CD2 3.11Å; D263-T722 HydrophobicContact CB-CG2 4.19Å; D263-T722 WeakPolarHBondContact OD2-CG2 3.45Å
264E95.8Very high95.3Very high22 Ų2224.2 Ų24.210%0.10311%0.107CC..Hα-helixtrans-58.2-40.8174.1-68.4-72.2153.300111.7Q255 G260 R408 T722Q255-E264 HydrophobicContact CB-CG 4.43Å; Q255-E264 PolarHBondContact NE2-OE1 3.46Å; G260-E264 VanDerWaalsContact O-CG 3.28Å; G260-E264 WeakPolarHBondContact O-CG 3.32Å; G260-E264 PolarHBondContact O-N 2.91Å; E264-R408 IonicContact OE2-NH1 2.67Å; E264-R408 IonicContact OE2-NH2 3.12Å; E264-T722 HydrophobicContact CG-CG2 4.41Å; E264-T722 WeakPolarHBondContact OE1-CB 3.46Å
265K94.7Very high94.5Very high97 Ų9724 Ų2442%0.42211%0.106SC..Hα-helixtrans-84.6-42.3-173.3-174.257.3176.31800114.2L261 V262 D263 Y364L261-K265 WeakPolarHBondContact O-CB 3.44Å; L261-K265 PolarHBondContact O-N 3.11Å; V262-K265 PolarHBondContact O-N 3.22Å; D263-K265 VanDerWaalsContact C-N 3.29Å; D263-K265 PolarHBondContact O-N 2.99Å; K265-Y364 HydrophobicContact CB-CD1 4.3Å; K265-Y364 HydrophobicContact CB-CE1 4.43Å; K265-Y364 HydrophobicContact CD-CD1 4.15Å; K265-Y364 HydrophobicContact CD-CD2 3.87Å; K265-Y364 HydrophobicContact CD-CE1 4.39Å; K265-Y364 HydrophobicContact CD-CE2 4.12Å; K265-Y364 HydrophobicContact CD-CG 3.88Å; K265-Y364 HydrophobicContact CG-CD1 4.45Å; K265-Y364 HydrophobicContact CG-CG 4.46Å
266W94.5Very high93.2Very high59 Ų5928.5 Ų28.522%0.22314%0.137CC..Hα-helixtrans-127.7-12.7-171.7-60.7-66.8000114.1V262 C273 P275 L357 E360 I361V262-W266 HydrophobicContact CG1-CE3 4.15Å; V262-W266 HydrophobicContact CG2-CZ3 4.44Å; V262-W266 PolarHBondContact O-N 2.86Å; W266-C273 VanDerWaalsContact CB-SG 3.56Å; W266-P275 HydrophobicContact CD2-CB 3.98Å; W266-P275 HydrophobicContact CD2-CG 4.17Å; W266-P275 HydrophobicContact CE3-CG 4.47Å; W266-P275 HydrophobicContact CG-CB 4.04Å; W266-P275 HydrophobicContact CG-CG 4.3Å; W266-P275 HydrophobicContact CZ2-CB 4.43Å; W266-L357 HydrophobicContact CZ3-CD2 4.37Å; W266-E360 HydrophobicContact CH2-CB 3.64Å; W266-E360 HydrophobicContact CZ2-CB 3.72Å; W266-I361 HydrophobicContact CH2-CG1 3.81Å; W266-I361 HydrophobicContact CZ3-CD1 4.24Å; W266-I361 HydrophobicContact CZ3-CG1 3.61Å
267G94.3Very high91.3Very high25 Ų2531.1 Ų31.126%0.25815%0.151SC..  trans76.7143.3-172.300000113.3V262 D263 C273V262-G267 PolarHBondContact O-N 3.41Å; D263-G267 VanDerWaalsContact O-CA 3.22Å; D263-G267 WeakPolarHBondContact O-CA 3.42Å; D263-G267 PolarHBondContact O-N 2.78Å; D263-G267 VanDerWaalsContact OD1-CA 3.32Å; D263-G267 WeakPolarHBondContact OD1-CA 3.44Å; G267-C273 PolarHBondContact O-SG 3.48Å
268I95Very high89.1Confident2 Ų237.4 Ų37.41%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-117.9126.3169.3-58.2178000107.6V262 D263 L289V262-I268 HydrophobicContact CB-CD1 4.19Å; V262-I268 HydrophobicContact CG1-CD1 3.9Å; V262-I268 HydrophobicContact CG1-CG1 3.92Å; D263-I268 HydrophobicContact CB-CB 4.46Å; D263-I268 HydrophobicContact CB-CD1 4.07Å; D263-I268 HydrophobicContact CB-CG1 4Å; D263-I268 PolarHBondContact OD1-N 3.23Å; I268-L289 HydrophobicContact CD1-CD1 3.96Å; I268-L289 HydrophobicContact CG1-CD1 4.15Å
269R92.1Very high86.9Confident110 Ų11044 Ų4442%0.41522%0.22SC..EExtended strand (participates in β ladder)trans-136123.4176.2-65-63.1-60-83.6-3.5109.9E158 G271 I272E158-R269 PolarHBondContact O-NH2 3.48Å; E158-R269 VanDerWaalsContact OE2-CD 3.28Å; E158-R269 WeakPolarHBondContact OE2-CD 3.36Å; E158-R269 IonicContact OE2-CZ 3.07Å; E158-R269 IonicContact OE2-NE 2.79Å; E158-R269 PolarHBondContact OE2-NE 3.28Å; R269-G271 PolarHBondContact O-N 2.93Å; R269-I272 PolarHBondContact N-O 3.3Å; R269-I272 WeakPolarHBondContact O-CB 3.38Å; R269-I272 PolarHBondContact O-N 2.66Å
270F91Very high84.5Confident24 Ų2450.6 Ų50.611%0.10526%0.256CS..THydrogen-bonded Turntrans54.141.1-176.8-56.6-83.2000112.4A43 H44 V148 E158 I272A43-F270 HydrophobicContact CB-CD2 3.43Å; A43-F270 VanDerWaalsContact CB-CD2 3.43Å; A43-F270 HydrophobicContact CB-CE2 3.84Å; A43-F270 HydrophobicContact CB-CG 4.19Å; H44-F270 VanDerWaalsContact CA-CE1 3.47Å; H44-F270 HydrophobicContact CB-CE1 3.71Å; H44-F270 HydrophobicContact CB-CE2 4.22Å; H44-F270 HydrophobicContact CB-CZ 3.48Å; H44-F270 VanDerWaalsContact CB-CZ 3.48Å; H44-F270 AromaticContact CD2-CE1 3.42Å; H44-F270 VanDerWaalsContact CD2-CE1 3.42Å; H44-F270 WeakPolarHBondContact CD2-CE1 3.43Å; H44-F270 AromaticContact CD2-CZ 3.99Å; H44-F270 AromaticContact CG-CE1 3.65Å; H44-F270 AromaticContact CG-CZ 3.72Å; V148-F270 HydrophobicContact CG2-CD1 4.07Å; V148-F270 HydrophobicContact CG2-CE1 3.99Å; E158-F270 HydrophobicContact CB-CD1 4.25Å; E158-F270 HydrophobicContact CB-CE1 3.55Å; E158-F270 HydrophobicContact CB-CE2 3.91Å; E158-F270 HydrophobicContact CB-CZ 3.37Å; E158-F270 VanDerWaalsContact CD-N 3.35Å; E158-F270 HydrophobicContact CG-CD1 3.72Å; E158-F270 HydrophobicContact CG-CD2 4.38Å; E158-F270 HydrophobicContact CG-CE1 3.51Å; E158-F270 HydrophobicContact CG-CE2 4.23Å; E158-F270 HydrophobicContact CG-CG 4.15Å; E158-F270 HydrophobicContact CG-CZ 3.81Å; E158-F270 WeakPolarHBondContact OE1-CA 3.39Å; E158-F270 PolarHBondContact OE1-N 2.81Å; F270-I272 PolarHBondContact O-N 3.09Å
271G90.5Very high82.2Confident2 Ų255.7 Ų55.72%0.02128%0.283CS..THydrogen-bonded Turntrans64.326.5-176.900000113.5R269 L289R269-G271 PolarHBondContact O-N 2.93Å; G271-L289 VanDerWaalsContact CA-O 3.31Å; G271-L289 WeakPolarHBondContact CA-O 3.47Å; G271-L289 PolarHBondContact O-N 2.76Å
272I90.9Very high79.9Confident12 Ų1265.5 Ų65.56%0.06233%0.329CS..EExtended strand (participates in β ladder)trans-127129.6-179.9-63.1158.9000109.6R269 F270 R274 K286 F287R269-I272 PolarHBondContact N-O 3.3Å; R269-I272 WeakPolarHBondContact O-CB 3.38Å; R269-I272 PolarHBondContact O-N 2.66Å; F270-I272 PolarHBondContact O-N 3.09Å; I272-R274 HydrophobicContact CG2-CG 4.39Å; I272-K286 HydrophobicContact CG2-CD 4.09Å; I272-K286 HydrophobicContact CG2-CG 3.52Å; I272-F287 WeakPolarHBondContact CA-O 3.44Å
273C91.9Very high77.9Confident0 Ų069.8 Ų69.80%036%0.364CS..EExtended strand (participates in β ladder)trans-113.2145.6170-174.90000110.3V262 W266 G267 F287 L289V262-C273 HydrophobicContact CG1-CB 4.17Å; W266-C273 VanDerWaalsContact CB-SG 3.56Å; G267-C273 PolarHBondContact O-SG 3.48Å; C273-F287 PolarHBondContact N-O 3.41Å; C273-F287 PolarHBondContact O-N 3.35Å; C273-L289 HydrophobicContact CB-CD1 3.45Å; C273-L289 VanDerWaalsContact CB-CD1 3.45Å; C273-L289 HydrophobicContact CB-CG 4.22Å
274R89.4Confident76.4Confident122 Ų12271.7 Ų71.746%0.4638%0.379SS..  trans-128.876.9176.9-65.8-175.6-170.677.4-2.1111.3I272 C276I272-R274 HydrophobicContact CG2-CG 4.39Å; R274-C276 PolarHBondContact O-N 2.83Å
275P82Confident75.6Confident0 Ų076.8 Ų76.80%040%0.4CS..  trans-65.2132.8175.7-18.432.8000111W266 L277 F287 L357W266-P275 HydrophobicContact CD2-CB 3.98Å; W266-P275 HydrophobicContact CD2-CG 4.17Å; W266-P275 HydrophobicContact CE3-CG 4.47Å; W266-P275 HydrophobicContact CG-CB 4.04Å; W266-P275 HydrophobicContact CG-CG 4.3Å; W266-P275 HydrophobicContact CZ2-CB 4.43Å; P275-L277 VanDerWaalsContact C-N 3.31Å; P275-L277 HydrophobicContact CB-CD1 4.5Å; P275-L277 HydrophobicContact CB-CD2 3.87Å; P275-L277 HydrophobicContact CB-CG 3.86Å; P275-L277 PolarHBondContact O-N 2.72Å; P275-L277 VanDerWaalsContact O-N 3.14Å; P275-F287 HydrophobicContact CB-CE2 4.39Å; P275-F287 HydrophobicContact CG-CD2 3.65Å; P275-F287 HydrophobicContact CG-CE2 3.67Å; P275-L357 HydrophobicContact CB-CD2 4.38Å; P275-L357 HydrophobicContact CG-CD2 3.62Å
276C71Confident75.1Confident97 Ų9777.3 Ų77.366%0.65540%0.403SS*.  trans-83.677.8169.1-1650000108.8R274 Q278R274-C276 PolarHBondContact O-N 2.83Å; C276-Q278 VanDerWaalsContact C-N 3.28Å; C276-Q278 PolarHBondContact O-N 3.16Å
277L58.6Low74.8Confident65 Ų6574.9 Ų74.934%0.3439%0.394SS..  trans-76.6-12.6-176.1-61.6173.4000113.5P275 F287 E360P275-L277 VanDerWaalsContact C-N 3.31Å; P275-L277 HydrophobicContact CB-CD1 4.5Å; P275-L277 HydrophobicContact CB-CD2 3.87Å; P275-L277 HydrophobicContact CB-CG 3.86Å; P275-L277 PolarHBondContact O-N 2.72Å; P275-L277 VanDerWaalsContact O-N 3.14Å; L277-F287 HydrophobicContact CD1-CE2 4.06Å; L277-F287 HydrophobicContact CD1-CZ 4.01Å; L277-E360 HydrophobicContact CD2-CG 3.7Å
278Q52Low74.5Confident131 Ų13177.9 Ų77.961%0.61240%0.403SS*.  trans-139.5135.2-175.2-64.9-175.8-10.200110.3C276 D280C276-Q278 VanDerWaalsContact C-N 3.28Å; C276-Q278 PolarHBondContact O-N 3.16Å; Q278-D280 VanDerWaalsContact C-N 3.29Å; Q278-D280 PolarHBondContact O-N 2.99Å
279T51Low74.3Confident138 Ų13877.9 Ų77.985%0.84740%0.403SS*.SBendtrans-69.7-22-177.452.30000113.9
280D49Very low74.1Confident140 Ų14074.5 Ų74.575%0.74939%0.393SS*.SBendtrans-116.7-3-161.3-67.64.9000115.4Q278Q278-D280 VanDerWaalsContact C-N 3.29Å; Q278-D280 PolarHBondContact O-N 2.99Å
281N48.4Very low73.8Confident108 Ų10873.8 Ų73.858%0.57839%0.391SS*.  trans-122111.3176.9-80.2-38.3000110.4A283N281-A283 PolarHBondContact O-N 3.04Å
282E50.7Low73.6Confident209 Ų20976.2 Ų76.298%0.97741%0.407SS*.SBendtrans-58.2-5.7179.9-71.3-143.1145.900115.4S284E282-S284 PolarHBondContact O-N 2.92Å
283A55.2Low73.7Confident89 Ų8976.1 Ų76.174%0.73641%0.407SS*.  trans-88.883.417400000111N281 K285N281-A283 PolarHBondContact O-N 3.04Å; A283-K285 PolarHBondContact O-N 3.41Å
284S65.4Low73.6Confident54 Ų5478.4 Ų78.438%0.37842%0.418SS..PPolyproline II helixtrans-51.9124.3164.951.30000110.2E282 K286E282-S284 PolarHBondContact O-N 2.92Å; S284-K286 PolarHBondContact O-N 2.94Å
285K79.3Confident73.9Confident129 Ų12972.6 Ų72.656%0.56140%0.396SS*.PPolyproline II helixtrans-67.2122.8-179.9-173170.7173.4-172.10108.5A283 F287A283-K285 PolarHBondContact O-N 3.41Å; K285-F287 HydrophobicContact CB-CE2 4.06Å; K285-F287 HydrophobicContact CB-CZ 3.96Å; K285-F287 HydrophobicContact CD-CE1 3.66Å; K285-F287 HydrophobicContact CD-CE2 4.45Å; K285-F287 HydrophobicContact CD-CZ 3.53Å; K285-F287 HydrophobicContact CG-CE1 3.86Å; K285-F287 HydrophobicContact CG-CE2 4.16Å; K285-F287 HydrophobicContact CG-CZ 3.68Å; K285-F287 WeakPolarHBondContact O-CD2 3.33Å
286K84.7Confident74.6Confident108 Ų10872.7 Ų72.747%0.4740%0.397SS..PPolyproline II helixtrans-77.3123.3176.7-177.3-171.9170.2177.10109.4I272 S284I272-K286 HydrophobicContact CG2-CD 4.09Å; I272-K286 HydrophobicContact CG2-CG 3.52Å; S284-K286 PolarHBondContact O-N 2.94Å
287F87.9Confident75.7Confident8 Ų869.9 Ų69.94%0.03538%0.38CS..EExtended strand (participates in β ladder)trans-111.3137.6170.1-57.7-73.8000110.3I272 C273 P275 L277 K285 I353 L357I272-F287 WeakPolarHBondContact CA-O 3.44Å; C273-F287 PolarHBondContact N-O 3.41Å; C273-F287 PolarHBondContact O-N 3.35Å; P275-F287 HydrophobicContact CB-CE2 4.39Å; P275-F287 HydrophobicContact CG-CD2 3.65Å; P275-F287 HydrophobicContact CG-CE2 3.67Å; L277-F287 HydrophobicContact CD1-CE2 4.06Å; L277-F287 HydrophobicContact CD1-CZ 4.01Å; K285-F287 HydrophobicContact CB-CE2 4.06Å; K285-F287 HydrophobicContact CB-CZ 3.96Å; K285-F287 HydrophobicContact CD-CE1 3.66Å; K285-F287 HydrophobicContact CD-CE2 4.45Å; K285-F287 HydrophobicContact CD-CZ 3.53Å; K285-F287 HydrophobicContact CG-CE1 3.86Å; K285-F287 HydrophobicContact CG-CE2 4.16Å; K285-F287 HydrophobicContact CG-CZ 3.68Å; K285-F287 WeakPolarHBondContact O-CD2 3.33Å; F287-I353 HydrophobicContact CD1-CB 4.3Å; F287-I353 HydrophobicContact CD1-CD1 4.12Å; F287-I353 HydrophobicContact CD1-CG1 4.08Å; F287-I353 HydrophobicContact CD1-CG2 3.3Å; F287-I353 HydrophobicContact CE1-CB 4.27Å; F287-I353 HydrophobicContact CE1-CD1 4.35Å; F287-I353 HydrophobicContact CE1-CG1 3.91Å; F287-I353 HydrophobicContact CE1-CG2 3.57Å; F287-I353 HydrophobicContact CG-CG2 4.04Å; F287-I353 HydrophobicContact CZ-CG2 4.49Å; F287-L357 HydrophobicContact CD2-CD2 4.34Å; F287-L357 HydrophobicContact CE2-CD2 4.23Å
288I88.8Confident77.3Confident88 Ų8869.9 Ų69.945%0.45138%0.379SS..EExtended strand (participates in β ladder)trans-93.7122.9175.1-61172.7000106.5N290I288-N290 WeakPolarHBondContact CG2-ND2 3.17Å
289L90.7Very high79.5Confident1 Ų163.6 Ų63.61%0.00535%0.35CS..  trans-12484.9-177.3-60.5-177.7000107.9V262 I268 G271 C273 Y296V262-L289 HydrophobicContact CG1-CD1 3.69Å; I268-L289 HydrophobicContact CD1-CD1 3.96Å; I268-L289 HydrophobicContact CG1-CD1 4.15Å; G271-L289 VanDerWaalsContact CA-O 3.31Å; G271-L289 WeakPolarHBondContact CA-O 3.47Å; G271-L289 PolarHBondContact O-N 2.76Å; C273-L289 HydrophobicContact CB-CD1 3.45Å; C273-L289 VanDerWaalsContact CB-CD1 3.45Å; C273-L289 HydrophobicContact CB-CG 4.22Å; L289-Y296 VanDerWaalsContact C-CE1 3.44Å; L289-Y296 HydrophobicContact CB-CD1 4.34Å; L289-Y296 HydrophobicContact CB-CD2 4.43Å; L289-Y296 HydrophobicContact CB-CE1 3.96Å; L289-Y296 HydrophobicContact CB-CE2 4.07Å; L289-Y296 HydrophobicContact CD2-CD2 4Å; L289-Y296 HydrophobicContact CD2-CE2 4.18Å; L289-Y296 HydrophobicContact CD2-CG 4.41Å; L289-Y296 HydrophobicContact CG-CE2 4.5Å
290N87.5Confident81.7Confident40 Ų4058 Ų5821%0.21431%0.313CS..SBendtrans-152.4178173.162.736.9000109.6E151 I288 S292 D293E151-N290 WeakPolarHBondContact OE1-CA 3.33Å; E151-N290 WeakPolarHBondContact OE2-CA 3.42Å; I288-N290 WeakPolarHBondContact CG2-ND2 3.17Å; N290-S292 PolarHBondContact O-N 2.87Å; N290-S292 VanDerWaalsContact OD1-CB 3.29Å; N290-S292 WeakPolarHBondContact OD1-CB 3.21Å; N290-S292 PolarHBondContact OD1-N 2.76Å; N290-S292 PolarHBondContact OD1-OG 3.39Å; N290-D293 WeakPolarHBondContact O-CB 3.13Å; N290-D293 PolarHBondContact O-N 2.95Å
291S85.9Confident83.9Confident9 Ų952.5 Ų52.56%0.06328%0.284CS..THydrogen-bonded Turntrans-60.1-9.3-176.7-540000114.8H3 E151 R300H3-S291 WeakPolarHBondContact CB-O 3.48Å; E151-S291 WeakPolarHBondContact OE2-CB 3.02Å; E151-S291 PolarHBondContact OE2-N 2.71Å; E151-S291 PolarHBondContact OE2-OG 2.96Å; S291-R300 PolarHBondContact OG-NH1 3.36Å
292S85.6Confident86.2Confident52 Ų5250.7 Ų50.736%0.36427%0.271SS..THydrogen-bonded Turntrans-75.5-13.517074.20000114.4N290 Q350N290-S292 PolarHBondContact O-N 2.87Å; N290-S292 VanDerWaalsContact OD1-CB 3.29Å; N290-S292 WeakPolarHBondContact OD1-CB 3.21Å; N290-S292 PolarHBondContact OD1-N 2.76Å; N290-S292 PolarHBondContact OD1-OG 3.39Å; S292-Q350 PolarHBondContact O-NE2 3.04Å
293D92.2Very high88.4Confident10 Ų1042.8 Ų42.85%0.05323%0.234CC..SBendtrans-93.4108.8168.1-171.2-41000109.3N290 V295 Y296 A297 Q350 H354N290-D293 WeakPolarHBondContact O-CB 3.13Å; N290-D293 PolarHBondContact O-N 2.95Å; D293-V295 VanDerWaalsContact C-N 3.28Å; D293-V295 PolarHBondContact O-N 3.14Å; D293-V295 PolarHBondContact OD1-N 3.21Å; D293-Y296 PolarHBondContact O-N 3.01Å; D293-Y296 PolarHBondContact OD1-N 3.35Å; D293-A297 WeakPolarHBondContact O-CB 3.36Å; D293-A297 PolarHBondContact O-N 3.19Å; D293-Q350 WeakPolarHBondContact OD1-CB 3.35Å; D293-Q350 PolarHBondContact OD1-OE1 3.28Å; D293-Q350 VanDerWaalsContact OD2-CG 3.26Å; D293-Q350 WeakPolarHBondContact OD2-CG 3.36Å; D293-H354 IonicContact OD1-CD2 2.95Å; D293-H354 IonicContact OD1-NE2 2.87Å; D293-H354 PolarHBondContact OD1-NE2 3.07Å; D293-H354 IonicContact OD2-CD2 3.85Å; D293-H354 IonicContact OD2-NE2 3.19Å; D293-H354 PolarHBondContact OD2-NE2 3.27Å
294M91.2Very high90.5Very high48 Ų4839 Ų3924%0.23620%0.201CC..Hα-helixtrans-68.1-30.2-175.7-65.3-177.7-71.500112.1E298 E343 K347M294-E298 PolarHBondContact O-N 3.48Å; M294-E343 HydrophobicContact CE-CG 3.88Å; M294-E343 HydrophobicContact SD-CG 4.46Å; M294-K347 HydrophobicContact CE-CB 3.79Å; M294-K347 HydrophobicContact CE-CD 4.27Å; M294-K347 HydrophobicContact CE-CG 4.06Å
295V95.3Very high91.9Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-74.2-45.3177.3178.40000109.2D293 A297 E298 I299 L311 I314 K347 Q350 L351 H354D293-V295 VanDerWaalsContact C-N 3.28Å; D293-V295 PolarHBondContact O-N 3.14Å; D293-V295 PolarHBondContact OD1-N 3.21Å; V295-A297 PolarHBondContact O-N 2.9Å; V295-E298 PolarHBondContact O-N 3.35Å; V295-I299 HydrophobicContact CG1-CD1 4.33Å; V295-I299 WeakPolarHBondContact O-CG1 3.38Å; V295-I299 PolarHBondContact O-N 3.06Å; V295-L311 HydrophobicContact CG1-CD2 3.85Å; V295-I314 HydrophobicContact CG1-CD1 4.24Å; V295-K347 HydrophobicContact CG2-CG 3.8Å; V295-Q350 HydrophobicContact CB-CB 4.19Å; V295-Q350 HydrophobicContact CG2-CB 3.89Å; V295-L351 HydrophobicContact CG2-CB 4.24Å; V295-H354 HydrophobicContact CG1-CB 3.89Å
296Y96Very high92.7Very high2 Ų236 Ų361%0.00819%0.186CC..Hα-helixtrans-57.2-47.4174.6-175.9-118.6000111.9E151 Y258 A259 L289 D293 E298 I299 R300 H354E151-Y296 WeakPolarHBondContact OE1-CE1 3.39Å; Y258-Y296 HydrophobicContact CD1-CD2 4.14Å; Y258-Y296 HydrophobicContact CD1-CE2 4.03Å; Y258-Y296 AromaticContact CE1-CD2 3.85Å; Y258-Y296 HydrophobicContact CE1-CD2 3.85Å; Y258-Y296 AromaticContact CE1-CE2 3.95Å; Y258-Y296 HydrophobicContact CE1-CE2 3.95Å; A259-Y296 HydrophobicContact CB-CE2 4.23Å; A259-Y296 WeakPolarHBondContact CB-OH 3.29Å; L289-Y296 VanDerWaalsContact C-CE1 3.44Å; L289-Y296 HydrophobicContact CB-CD1 4.34Å; L289-Y296 HydrophobicContact CB-CD2 4.43Å; L289-Y296 HydrophobicContact CB-CE1 3.96Å; L289-Y296 HydrophobicContact CB-CE2 4.07Å; L289-Y296 HydrophobicContact CD2-CD2 4Å; L289-Y296 HydrophobicContact CD2-CE2 4.18Å; L289-Y296 HydrophobicContact CD2-CG 4.41Å; L289-Y296 HydrophobicContact CG-CE2 4.5Å; D293-Y296 PolarHBondContact O-N 3.01Å; D293-Y296 PolarHBondContact OD1-N 3.35Å; Y296-E298 PolarHBondContact O-N 2.9Å; Y296-I299 PolarHBondContact O-N 2.88Å; Y296-I299 VanDerWaalsContact O-N 3.15Å; Y296-R300 HydrophobicContact CD1-CB 4.31Å; Y296-R300 HydrophobicContact CD2-CB 3.93Å; Y296-R300 HydrophobicContact CE1-CB 4.02Å; Y296-R300 HydrophobicContact CE2-CB 3.6Å; Y296-R300 HydrophobicContact CG-CB 4.28Å; Y296-R300 WeakPolarHBondContact O-CB 3.37Å; Y296-R300 WeakPolarHBondContact O-CG 3.32Å; Y296-R300 PolarHBondContact O-N 3.18Å; Y296-H354 WeakPolarHBondContact CB-NE2 3.45Å; Y296-H354 AromaticContact CD2-CE1 3.64Å
297A93.5Very high93.4Very high38 Ų3830.8 Ų30.831%0.31416%0.164SC..Hα-helixtrans-56.6-33.9179.400000112.7D293 V295D293-A297 WeakPolarHBondContact O-CB 3.36Å; D293-A297 PolarHBondContact O-N 3.19Å; V295-A297 PolarHBondContact O-N 2.9Å
298E94Very high93.8Very high65 Ų6530.5 Ų30.530%0.30416%0.163SC..Hα-helixtrans-77.9-33179.3-164.7170.5169.800112.9M294 V295 Y296 Q302 I310 I314 K347M294-E298 PolarHBondContact O-N 3.48Å; V295-E298 PolarHBondContact O-N 3.35Å; Y296-E298 PolarHBondContact O-N 2.9Å; E298-Q302 VanDerWaalsContact O-CG 3.28Å; E298-Q302 WeakPolarHBondContact O-CG 3.48Å; E298-I310 HydrophobicContact CG-CG2 4.12Å; E298-I314 WeakPolarHBondContact OE2-CD1 3.3Å; E298-K347 IonicContact OE2-NZ 3.93Å
299I97.3Very high94.2Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-103.8-20.7-173.471.3-178.6000114.9Y258 V295 Y296 D301 Q302 V307 I310 L311 H354Y258-I299 VanDerWaalsContact CB-O 3.26Å; Y258-I299 WeakPolarHBondContact CB-O 3.32Å; Y258-I299 HydrophobicContact CD1-CD1 3.94Å; Y258-I299 HydrophobicContact CD1-CG1 3.82Å; Y258-I299 HydrophobicContact CD2-CD1 4.08Å; Y258-I299 HydrophobicContact CD2-CG1 4.5Å; Y258-I299 HydrophobicContact CE1-CD1 3.85Å; Y258-I299 HydrophobicContact CE1-CG1 4.16Å; Y258-I299 HydrophobicContact CE2-CD1 3.96Å; Y258-I299 HydrophobicContact CG-CD1 4.07Å; Y258-I299 HydrophobicContact CG-CG1 4.03Å; V295-I299 HydrophobicContact CG1-CD1 4.33Å; V295-I299 WeakPolarHBondContact O-CG1 3.38Å; V295-I299 PolarHBondContact O-N 3.06Å; Y296-I299 PolarHBondContact O-N 2.88Å; Y296-I299 VanDerWaalsContact O-N 3.15Å; I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3Å; I299-Q302 WeakPolarHBondContact O-CB 3.35Å; I299-Q302 PolarHBondContact O-N 2.99Å; I299-V307 HydrophobicContact CB-CG1 4.36Å; I299-V307 HydrophobicContact CB-CG2 4.49Å; I299-V307 HydrophobicContact CD1-CG1 4.26Å; I299-V307 HydrophobicContact CG2-CG1 4.45Å; I299-I310 HydrophobicContact CG2-CB 4.3Å; I299-I310 HydrophobicContact CG2-CG2 3.76Å; I299-L311 HydrophobicContact CD1-CD2 4.14Å; I299-L311 HydrophobicContact CG2-CD2 4.28Å; I299-H354 HydrophobicContact CD1-CB 3.9Å
300R96.6Very high94.5Very high20 Ų2033.3 Ų33.38%0.07518%0.178CC..THydrogen-bonded Turntrans-57.1-38.6-168.565.7-178.4-174.9-167.2-8.1113.8E151 A259 S291 Y296E151-R300 IonicContact OE1-NH1 3.42Å; E151-R300 PolarHBondContact OE1-NH1 2.95Å; E151-R300 VanDerWaalsContact OE1-NH1 3.1Å; E151-R300 IonicContact OE2-NH1 3.14Å; E151-R300 PolarHBondContact OE2-NH1 3.46Å; A259-R300 HydrophobicContact CB-CB 4.02Å; A259-R300 WeakPolarHBondContact CB-O 3.39Å; A259-R300 PolarHBondContact N-O 3.2Å; A259-R300 VanDerWaalsContact N-O 3.1Å; S291-R300 PolarHBondContact OG-NH1 3.36Å; Y296-R300 HydrophobicContact CD1-CB 4.31Å; Y296-R300 HydrophobicContact CD2-CB 3.93Å; Y296-R300 HydrophobicContact CE1-CB 4.02Å; Y296-R300 HydrophobicContact CE2-CB 3.6Å; Y296-R300 HydrophobicContact CG-CB 4.28Å; Y296-R300 WeakPolarHBondContact O-CB 3.37Å; Y296-R300 WeakPolarHBondContact O-CG 3.32Å; Y296-R300 PolarHBondContact O-N 3.18Å
301D96.5Very high95Very high25 Ų2531.8 Ų31.813%0.13417%0.17CC..THydrogen-bonded Turntrans-93.4-4.7-175.7-61.9-52000112.1I299 S698 R701I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3Å; D301-S698 WeakPolarHBondContact CA-OG 3.44Å; D301-S698 WeakPolarHBondContact OD1-CA 3.3Å; D301-S698 VanDerWaalsContact OD1-CB 3.26Å; D301-S698 WeakPolarHBondContact OD1-CB 3.26Å; D301-S698 PolarHBondContact OD1-OG 3.35Å; D301-R701 IonicContact OD1-CZ 3.39Å; D301-R701 IonicContact OD1-NH1 2.96Å; D301-R701 PolarHBondContact OD1-NH1 3.11Å; D301-R701 VanDerWaalsContact OD2-CD 3.28Å; D301-R701 WeakPolarHBondContact OD2-CD 3.34Å; D301-R701 IonicContact OD2-CZ 2.65Å; D301-R701 IonicContact OD2-NE 2.84Å; D301-R701 IonicContact OD2-NH1 3.12Å; D301-R701 PolarHBondContact OD2-NH1 2.96Å; D301-R701 VanDerWaalsContact OD2-NH1 3.13Å
302Q96.8Very high95.6Very high69 Ų6932.9 Ų32.932%0.32218%0.177SC..SBendtrans-80.6146.8-176.8-57.2-65-23.300111.1T257 Y258 E298 I299 F304 V307 I310T257-Q302 VanDerWaalsContact CA-O 3.28Å; T257-Q302 WeakPolarHBondContact CA-O 3.25Å; Y258-Q302 PolarHBondContact N-O 2.84Å; Y258-Q302 VanDerWaalsContact N-O 3.07Å; E298-Q302 VanDerWaalsContact O-CG 3.28Å; E298-Q302 WeakPolarHBondContact O-CG 3.48Å; I299-Q302 WeakPolarHBondContact O-CB 3.35Å; I299-Q302 PolarHBondContact O-N 2.99Å; Q302-F304 PolarHBondContact O-N 3.03Å; Q302-V307 HydrophobicContact CB-CG2 4.33Å; Q302-I310 HydrophobicContact CB-CD1 4.06Å; Q302-I310 HydrophobicContact CG-CD1 3.55Å
303K96.6Very high96.1Very high43 Ų4335.8 Ų35.819%0.18718%0.183CC..BIsolated β-bridgetrans-60.8132.5168.8-175.3-178.1179.4179.90109.3S305 E306 L531K303-S305 WeakPolarHBondContact CD-OG 3.28Å; K303-S305 WeakPolarHBondContact CE-OG 3.42Å; K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.09Å; K303-E306 WeakPolarHBondContact O-CB 3.33Å; K303-E306 PolarHBondContact O-N 2.61Å; K303-L531 HydrophobicContact CB-CD2 4.06Å
304F98.3Very high96.3Very high10 Ų1035.3 Ų35.34%0.04418%0.181CC..Hα-helixtrans-57.8-33.7-170.5-175.6-107.5000114.8L256 Y258 L261 Q302 E306 V307 A358 I361 Q362 V365 M597L256-F304 PolarHBondContact O-N 2.93Å; Y258-F304 HydrophobicContact CD2-CD2 4.21Å; Y258-F304 HydrophobicContact CD2-CE2 4.26Å; L261-F304 HydrophobicContact CD1-CB 3.39Å; L261-F304 HydrophobicContact CD1-CD1 3.92Å; L261-F304 HydrophobicContact CD1-CD2 3.91Å; L261-F304 HydrophobicContact CD1-CG 3.44Å; L261-F304 VanDerWaalsContact CD1-CG 3.44Å; Q302-F304 PolarHBondContact O-N 3.03Å; F304-E306 PolarHBondContact O-N 3.43Å; F304-E306 VanDerWaalsContact O-N 3.1Å; F304-V307 HydrophobicContact CD2-CB 4.41Å; F304-V307 HydrophobicContact CD2-CG2 4.19Å; F304-V307 WeakPolarHBondContact O-CB 3.39Å; F304-V307 PolarHBondContact O-N 3.13Å; F304-V307 VanDerWaalsContact O-N 3.13Å; F304-A358 HydrophobicContact CE2-CB 4.34Å; F304-A358 WeakPolarHBondContact CZ-O 3.43Å; F304-I361 HydrophobicContact CD1-CG2 4.15Å; F304-I361 HydrophobicContact CD2-CG2 3.85Å; F304-I361 HydrophobicContact CE1-CB 4.38Å; F304-I361 HydrophobicContact CE1-CG2 3.75Å; F304-I361 HydrophobicContact CE2-CB 3.71Å; F304-I361 HydrophobicContact CE2-CD1 4.07Å; F304-I361 HydrophobicContact CE2-CG2 3.43Å; F304-I361 VanDerWaalsContact CE2-CG2 3.43Å; F304-I361 HydrophobicContact CG-CG2 4.21Å; F304-I361 HydrophobicContact CZ-CB 3.61Å; F304-I361 HydrophobicContact CZ-CG2 3.38Å; F304-Q362 HydrophobicContact CE1-CB 4.31Å; F304-Q362 HydrophobicContact CZ-CB 4.25Å; F304-V365 HydrophobicContact CD1-CG2 4.02Å; F304-V365 HydrophobicContact CE1-CG2 3.76Å; F304-M597 HydrophobicContact CE1-SD 4.06Å; F304-M597 HydrophobicContact CZ-CE 4.38Å; F304-M597 HydrophobicContact CZ-SD 4.02Å
305S95.8Very high96.5Very high33 Ų3335.4 Ų35.423%0.23118%0.184CC..Hα-helixtrans-59.4-21.9175.952.90000114.1K303K303-S305 WeakPolarHBondContact CD-OG 3.28Å; K303-S305 WeakPolarHBondContact CE-OG 3.42Å; K303-S305 PolarHBondContact O-N 2.95Å; K303-S305 VanDerWaalsContact O-N 3.09Å
306E96.5Very high96.5Very high86 Ų8640.9 Ų40.940%0.40221%0.208SC..Hα-helixtrans-95.5-17.3-178.6-65.5166.8-159.500112.4K303 F304 G308 L309 I310K303-E306 WeakPolarHBondContact O-CB 3.33Å; K303-E306 PolarHBondContact O-N 2.61Å; F304-E306 PolarHBondContact O-N 3.43Å; F304-E306 VanDerWaalsContact O-N 3.1Å; E306-G308 VanDerWaalsContact C-N 3.29Å; E306-G308 PolarHBondContact O-N 3.38Å; E306-L309 WeakPolarHBondContact O-CB 3.47Å; E306-L309 PolarHBondContact O-N 2.87Å; E306-I310 PolarHBondContact O-N 3.19Å
307V97.9Very high96.4Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-58.4-40.1-175.7173.70000111.6Y258 I299 Q302 F304 L309 I310 L311 A358Y258-V307 HydrophobicContact CD2-CG1 4.05Å; Y258-V307 HydrophobicContact CD2-CG2 4.29Å; I299-V307 HydrophobicContact CB-CG1 4.36Å; I299-V307 HydrophobicContact CB-CG2 4.49Å; I299-V307 HydrophobicContact CD1-CG1 4.26Å; I299-V307 HydrophobicContact CG2-CG1 4.45Å; Q302-V307 HydrophobicContact CB-CG2 4.33Å; F304-V307 HydrophobicContact CD2-CB 4.41Å; F304-V307 HydrophobicContact CD2-CG2 4.19Å; F304-V307 WeakPolarHBondContact O-CB 3.39Å; F304-V307 PolarHBondContact O-N 3.13Å; F304-V307 VanDerWaalsContact O-N 3.13Å; V307-L309 VanDerWaalsContact C-N 3.28Å; V307-L309 PolarHBondContact O-N 3.07Å; V307-I310 PolarHBondContact O-N 2.91Å; V307-L311 HydrophobicContact CG1-CD1 3.79Å; V307-L311 HydrophobicContact CG1-CG 4Å; V307-L311 VanDerWaalsContact O-CG 3.31Å; V307-L311 WeakPolarHBondContact O-CG 3.41Å; V307-L311 PolarHBondContact O-N 3.06Å; V307-A358 HydrophobicContact CG1-CB 4.46Å
308G96.9Very high96.3Very high1 Ų142.9 Ų42.91%0.0121%0.211CC..Hα-helixtrans-60.1-37.2178.800000113.4E306 S312 M597E306-G308 VanDerWaalsContact C-N 3.29Å; E306-G308 PolarHBondContact O-N 3.38Å; G308-S312 WeakPolarHBondContact O-CB 3.28Å; G308-S312 PolarHBondContact O-N 3.24Å; G308-S312 VanDerWaalsContact O-N 3.1Å; G308-S312 PolarHBondContact O-OG 2.9Å; G308-M597 VanDerWaalsContact N-CE 3.34Å
309L97.3Very high96.1Very high121 Ų12142.6 Ų42.663%0.63422%0.216SC*.Hα-helixtrans-70-42.5176.5-62.1176.8000111.1E306 V307 S312 K313E306-L309 WeakPolarHBondContact O-CB 3.47Å; E306-L309 PolarHBondContact O-N 2.87Å; V307-L309 VanDerWaalsContact C-N 3.28Å; V307-L309 PolarHBondContact O-N 3.07Å; L309-S312 WeakPolarHBondContact O-CB 3.45Å; L309-S312 PolarHBondContact O-N 2.91Å; L309-K313 PolarHBondContact O-N 3.44Å
310I97.4Very high95.8Very high28 Ų2847.3 Ų47.314%0.14424%0.241CC..Hα-helixtrans-65.6-46.9179.3-60.8171000110.6E298 I299 Q302 E306 V307 S312 K313 I314E298-I310 HydrophobicContact CG-CG2 4.12Å; I299-I310 HydrophobicContact CG2-CB 4.3Å; I299-I310 HydrophobicContact CG2-CG2 3.76Å; Q302-I310 HydrophobicContact CB-CD1 4.06Å; Q302-I310 HydrophobicContact CG-CD1 3.55Å; E306-I310 PolarHBondContact O-N 3.19Å; V307-I310 PolarHBondContact O-N 2.91Å; I310-S312 VanDerWaalsContact C-N 3.28Å; I310-S312 PolarHBondContact O-N 3.01Å; I310-K313 WeakPolarHBondContact O-CB 3.39Å; I310-K313 PolarHBondContact O-N 2.75Å; I310-K313 VanDerWaalsContact O-N 3.09Å; I310-I314 HydrophobicContact CG2-CD1 3.97Å; I310-I314 HydrophobicContact CG2-CG1 4.46Å; I310-I314 WeakPolarHBondContact O-CG1 3.28Å; I310-I314 PolarHBondContact O-N 2.92Å
311L97.7Very high95.3Very high8 Ų849.1 Ų49.14%0.04225%0.252CS..Hα-helixtrans-59.4-40.4175.5-66.5177000111.7V295 I299 V307 I314 T315 L351 H354 A358V295-L311 HydrophobicContact CG1-CD2 3.85Å; I299-L311 HydrophobicContact CD1-CD2 4.14Å; I299-L311 HydrophobicContact CG2-CD2 4.28Å; V307-L311 HydrophobicContact CG1-CD1 3.79Å; V307-L311 HydrophobicContact CG1-CG 4Å; V307-L311 VanDerWaalsContact O-CG 3.31Å; V307-L311 WeakPolarHBondContact O-CG 3.41Å; V307-L311 PolarHBondContact O-N 3.06Å; L311-I314 PolarHBondContact O-N 3.45Å; L311-T315 WeakPolarHBondContact O-CB 3.43Å; L311-T315 PolarHBondContact O-N 3.45Å; L311-T315 PolarHBondContact O-OG1 3.25Å; L311-L351 HydrophobicContact CB-CD1 4.29Å; L311-L351 HydrophobicContact CD2-CD1 3.78Å; L311-H354 HydrophobicContact CD2-CB 4.12Å; L311-A358 HydrophobicContact CD1-CB 3.9Å
312S97.6Very high94.9Very high31 Ų3149.9 Ų49.922%0.21726%0.258CS..Hα-helixtrans-64.3-39.1175.3-63.30000112.3G308 L309 I310 T315 K316G308-S312 WeakPolarHBondContact O-CB 3.28Å; G308-S312 PolarHBondContact O-N 3.24Å; G308-S312 VanDerWaalsContact O-N 3.1Å; G308-S312 PolarHBondContact O-OG 2.9Å; L309-S312 WeakPolarHBondContact O-CB 3.45Å; L309-S312 PolarHBondContact O-N 2.91Å; I310-S312 VanDerWaalsContact C-N 3.28Å; I310-S312 PolarHBondContact O-N 3.01Å; S312-T315 WeakPolarHBondContact O-CB 3.47Å; S312-T315 PolarHBondContact O-N 2.95Å; S312-K316 WeakPolarHBondContact O-CG 3.42Å; S312-K316 PolarHBondContact O-N 3.25Å; S312-K316 VanDerWaalsContact O-N 3.14Å
313K97.3Very high94.5Very high114 Ų11450.9 Ų50.950%0.49627%0.268SS..Hα-helixtrans-62.7-50.8174.6-177.5-170.5173-159.30110.9L309 I310 T315 K316 E317L309-K313 PolarHBondContact O-N 3.44Å; I310-K313 WeakPolarHBondContact O-CB 3.39Å; I310-K313 PolarHBondContact O-N 2.75Å; I310-K313 VanDerWaalsContact O-N 3.09Å; K313-T315 VanDerWaalsContact C-N 3.27Å; K313-T315 PolarHBondContact O-N 2.9Å; K313-K316 WeakPolarHBondContact O-CB 3.23Å; K313-K316 PolarHBondContact O-N 2.88Å; K313-K316 VanDerWaalsContact O-N 3.1Å; K313-E317 VanDerWaalsContact CE-OE1 3.23Å; K313-E317 WeakPolarHBondContact CE-OE1 3.31Å; K313-E317 PolarHBondContact O-N 2.94Å
314I95Very high93.9Very high0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-58.5-40.8177.2-63167.8000110.7V295 E298 I310 L311 K316 E317 I318 K347 L351V295-I314 HydrophobicContact CG1-CD1 4.24Å; E298-I314 WeakPolarHBondContact OE2-CD1 3.3Å; I310-I314 HydrophobicContact CG2-CD1 3.97Å; I310-I314 HydrophobicContact CG2-CG1 4.46Å; I310-I314 WeakPolarHBondContact O-CG1 3.28Å; I310-I314 PolarHBondContact O-N 2.92Å; L311-I314 PolarHBondContact O-N 3.45Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.4Å; I314-E317 PolarHBondContact O-N 3.1Å; I314-I318 HydrophobicContact CG2-CD1 3.92Å; I314-I318 HydrophobicContact CG2-CG1 4.36Å; I314-I318 WeakPolarHBondContact O-CG1 3.12Å; I314-I318 PolarHBondContact O-N 2.84Å; I314-K347 HydrophobicContact CG2-CD 4.44Å; I314-L351 HydrophobicContact CB-CD1 4.4Å; I314-L351 HydrophobicContact CG2-CD1 4.22Å; I314-L351 HydrophobicContact CG2-CD2 4.3Å
315T96.2Very high93.2Very high49 Ų4955.8 Ų55.830%0.30130%0.296SS..Hα-helixtrans-58.1-44.1176.3-57.90000112L311 S312 K313 S319 L351L311-T315 WeakPolarHBondContact O-CB 3.43Å; L311-T315 PolarHBondContact O-N 3.45Å; L311-T315 PolarHBondContact O-OG1 3.25Å; S312-T315 WeakPolarHBondContact O-CB 3.47Å; S312-T315 PolarHBondContact O-N 2.95Å; K313-T315 VanDerWaalsContact C-N 3.27Å; K313-T315 PolarHBondContact O-N 2.9Å; T315-S319 WeakPolarHBondContact O-CB 3.48Å; T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 3.03Å; T315-L351 WeakPolarHBondContact OG1-CD2 3.29Å
316K96.3Very high92.6Very high115 Ų11562.6 Ų62.650%0.532%0.321SS..Hα-helixtrans-67.1-42.6177.4-70.6172.9-176.6175.10111.5S312 K313 I314 S319 N320S312-K316 WeakPolarHBondContact O-CG 3.42Å; S312-K316 PolarHBondContact O-N 3.25Å; S312-K316 VanDerWaalsContact O-N 3.14Å; K313-K316 WeakPolarHBondContact O-CB 3.23Å; K313-K316 PolarHBondContact O-N 2.88Å; K313-K316 VanDerWaalsContact O-N 3.1Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.4Å; K316-S319 PolarHBondContact O-N 3.41Å; K316-N320 WeakPolarHBondContact O-CB 3.43Å; K316-N320 PolarHBondContact O-N 3.34Å; K316-N320 PolarHBondContact O-ND2 3.21Å
317E92.4Very high92Very high70 Ų7062.1 Ų62.133%0.32733%0.327SS..Hα-helixtrans-59.7-49.2176.6-71.8175-173.800112K313 I314 S319 N320 I321K313-E317 VanDerWaalsContact CE-OE1 3.23Å; K313-E317 WeakPolarHBondContact CE-OE1 3.31Å; K313-E317 PolarHBondContact O-N 2.94Å; I314-E317 PolarHBondContact O-N 3.1Å; E317-S319 VanDerWaalsContact C-N 3.33Å; E317-S319 PolarHBondContact O-N 3.07Å; E317-N320 PolarHBondContact O-N 2.9Å; E317-I321 WeakPolarHBondContact O-CG1 3.12Å; E317-I321 PolarHBondContact O-N 3.31Å
318I91.1Very high91.2Very high13 Ų1363.2 Ų63.27%0.06734%0.336CS..Hα-helixtrans-59.7-45.2176.7-69.8175.9000110.6I314 N320 I321 V322 I344 K347 L351I314-I318 HydrophobicContact CG2-CD1 3.92Å; I314-I318 HydrophobicContact CG2-CG1 4.36Å; I314-I318 WeakPolarHBondContact O-CG1 3.12Å; I314-I318 PolarHBondContact O-N 2.84Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.16Å; I318-I321 PolarHBondContact O-N 2.68Å; I318-V322 HydrophobicContact CG2-CG2 4.26Å; I318-V322 WeakPolarHBondContact O-CB 3.37Å; I318-V322 VanDerWaalsContact O-CG2 3.25Å; I318-V322 WeakPolarHBondContact O-CG2 3.47Å; I318-V322 PolarHBondContact O-N 3.14Å; I318-I344 HydrophobicContact CG2-CG2 4.17Å; I318-K347 HydrophobicContact CD1-CB 4.18Å; I318-K347 HydrophobicContact CD1-CD 4.35Å; I318-K347 HydrophobicContact CD1-CG 4.05Å; I318-L351 HydrophobicContact CD1-CD2 3.87Å
319S91.5Very high90.6Very high59 Ų5972.5 Ų72.541%0.41338%0.376SS..Hα-helixtrans-61.1-39.5178.9-60.70000112.3T315 K316 E317 T323T315-S319 WeakPolarHBondContact O-CB 3.48Å; T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 3.03Å; K316-S319 PolarHBondContact O-N 3.41Å; E317-S319 VanDerWaalsContact C-N 3.33Å; E317-S319 PolarHBondContact O-N 3.07Å; S319-T323 WeakPolarHBondContact O-CB 3.33Å; S319-T323 PolarHBondContact O-N 3.33Å; S319-T323 PolarHBondContact O-OG1 3.31Å
320N90.6Very high90Very high98 Ų9872.8 Ų72.852%0.52437%0.374SS..Hα-helixtrans-65.4-47.8175.9-72.2-17.8000111.6K316 E317 I318 V322 T323 Q324K316-N320 WeakPolarHBondContact O-CB 3.43Å; K316-N320 PolarHBondContact O-N 3.34Å; K316-N320 PolarHBondContact O-ND2 3.21Å; E317-N320 PolarHBondContact O-N 2.9Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.16Å; N320-V322 VanDerWaalsContact C-N 3.33Å; N320-V322 PolarHBondContact O-N 3.41Å; N320-T323 PolarHBondContact O-N 3.35Å; N320-Q324 WeakPolarHBondContact O-CB 3.38Å; N320-Q324 WeakPolarHBondContact O-CG 3.39Å; N320-Q324 PolarHBondContact O-N 2.95Å
321I86.6Confident89.3Confident58 Ų5877.7 Ų77.730%0.29740%0.4SS..Hα-helixtrans-63.5-40.4179-62.2166.5000110.9E317 I318 T323 Q324 S325 I344E317-I321 WeakPolarHBondContact O-CG1 3.12Å; E317-I321 PolarHBondContact O-N 3.31Å; I318-I321 PolarHBondContact O-N 2.68Å; I321-T323 VanDerWaalsContact C-N 3.34Å; I321-T323 PolarHBondContact O-N 2.92Å; I321-Q324 PolarHBondContact O-N 3.43Å; I321-S325 VanDerWaalsContact O-CB 3.3Å; I321-S325 WeakPolarHBondContact O-CB 3.44Å; I321-S325 PolarHBondContact O-N 3.4Å; I321-S325 PolarHBondContact O-OG 2.84Å; I321-I344 HydrophobicContact CB-CD1 4.46Å; I321-I344 HydrophobicContact CG2-CD1 3.34Å; I321-I344 HydrophobicContact CG2-CG1 4.01Å
322V87Confident88.8Confident42 Ų4281.1 Ų81.126%0.25542%0.422SS..Hα-helixtrans-63.8-40.2176.1169.70000111.2I318 N320 K326 I344I318-V322 HydrophobicContact CG2-CG2 4.26Å; I318-V322 WeakPolarHBondContact O-CB 3.37Å; I318-V322 VanDerWaalsContact O-CG2 3.25Å; I318-V322 WeakPolarHBondContact O-CG2 3.47Å; I318-V322 PolarHBondContact O-N 3.14Å; N320-V322 VanDerWaalsContact C-N 3.33Å; N320-V322 PolarHBondContact O-N 3.41Å; V322-K326 HydrophobicContact CG1-CD 4.47Å; V322-K326 WeakPolarHBondContact O-CG 3.37Å; V322-K326 PolarHBondContact O-N 2.81Å; V322-K326 VanDerWaalsContact O-N 3.15Å; V322-I344 HydrophobicContact CG2-CG2 3.88Å
323T88.3Confident88.1Confident89 Ų8983.2 Ų83.255%0.54643%0.43SS..Hα-helixtrans-68-45.4177.3-57.50000111.3S319 N320 I321 S325 K326 S327S319-T323 WeakPolarHBondContact O-CB 3.33Å; S319-T323 PolarHBondContact O-N 3.33Å; S319-T323 PolarHBondContact O-OG1 3.31Å; N320-T323 PolarHBondContact O-N 3.35Å; I321-T323 VanDerWaalsContact C-N 3.34Å; I321-T323 PolarHBondContact O-N 2.92Å; T323-S325 VanDerWaalsContact C-N 3.35Å; T323-S325 PolarHBondContact O-N 3.15Å; T323-K326 PolarHBondContact O-N 2.96Å; T323-S327 PolarHBondContact O-N 2.86Å; T323-S327 VanDerWaalsContact O-N 3.08Å; T323-S327 PolarHBondContact O-OG 3.48Å
324Q84Confident87.3Confident126 Ų12681.1 Ų81.159%0.58942%0.424SS*.Hα-helixtrans-59-45.4175.3-74.8177.3-900111.6N320 I321 K326 S327 A328N320-Q324 WeakPolarHBondContact O-CB 3.38Å; N320-Q324 WeakPolarHBondContact O-CG 3.39Å; N320-Q324 PolarHBondContact O-N 2.95Å; I321-Q324 PolarHBondContact O-N 3.43Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 3.13Å; Q324-S327 WeakPolarHBondContact CA-OG 3.16Å; Q324-S327 PolarHBondContact O-N 3.17Å; Q324-S327 PolarHBondContact O-OG 3.28Å; Q324-A328 PolarHBondContact O-N 3.49Å; Q324-A328 VanDerWaalsContact O-N 3.11Å
325S83.1Confident86.9Confident31 Ų3190 Ų9022%0.21746%0.457CS..Hα-helixtrans-60.7-33.9177.4-59.30000112.8I321 T323I321-S325 VanDerWaalsContact O-CB 3.3Å; I321-S325 WeakPolarHBondContact O-CB 3.44Å; I321-S325 PolarHBondContact O-N 3.4Å; I321-S325 PolarHBondContact O-OG 2.84Å; T323-S325 VanDerWaalsContact C-N 3.35Å; T323-S325 PolarHBondContact O-N 3.15Å
326K83Confident86.3Confident176 Ų17692.4 Ų92.477%0.76547%0.468SS*.Hα-helixtrans-75.1-25174.1-71.6173.7-178.7178.30113V322 T323 Q324V322-K326 HydrophobicContact CG1-CD 4.47Å; V322-K326 WeakPolarHBondContact O-CG 3.37Å; V322-K326 PolarHBondContact O-N 2.81Å; V322-K326 VanDerWaalsContact O-N 3.15Å; T323-K326 PolarHBondContact O-N 2.96Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 3.13Å
327S84.3Confident85.6Confident76 Ų7687.5 Ų87.553%0.53145%0.449SS..Hα-helixtrans-92.8-7.6-17770.30000114.8T323 Q324 K329T323-S327 PolarHBondContact O-N 2.86Å; T323-S327 VanDerWaalsContact O-N 3.08Å; T323-S327 PolarHBondContact O-OG 3.48Å; Q324-S327 WeakPolarHBondContact CA-OG 3.16Å; Q324-S327 PolarHBondContact O-N 3.17Å; Q324-S327 PolarHBondContact O-OG 3.28Å; S327-K329 PolarHBondContact O-N 2.98Å
328A81.4Confident85.2Confident22 Ų2288.7 Ų88.718%0.18246%0.461CS..  trans-61125.6-179.600000111.4Q324 D333 L334Q324-A328 PolarHBondContact O-N 3.49Å; Q324-A328 VanDerWaalsContact O-N 3.11Å; A328-D333 HydrophobicContact CB-CB 3.95Å; A328-L334 HydrophobicContact CB-CD2 4Å; A328-L334 HydrophobicContact CB-CG 4.23Å; A328-L334 WeakPolarHBondContact O-CD2 3.43Å
329K85.4Confident84.9Confident196 Ų19692 Ų9285%0.85249%0.485SS*.  trans-107.8-33.4-178.3-66.2-178.1-178.1176.70113.1S327S327-K329 PolarHBondContact O-N 2.98Å
330E84.8Confident84.6Confident127 Ų12795.8 Ų95.859%0.59349%0.49SS*.SBendtrans-79.1143.5179.8-60.9-156.4159.400111.3T332 D333 L334E330-T332 PolarHBondContact O-N 3.42Å; E330-D333 HydrophobicContact CB-CB 4.4Å; E330-D333 PolarHBondContact O-N 3.22Å; E330-L334 WeakPolarHBondContact O-CG 3.42Å; E330-L334 PolarHBondContact O-N 3.48Å
331L82.4Confident84.3Confident131 Ų13194 Ų9469%0.68648%0.481SS*.Hα-helixtrans-61-32.5-178.2-76.7168.6000112.9R335L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 3.4Å; L331-R335 VanDerWaalsContact O-N 3.16Å
332T85.9Confident84.3Confident81 Ų8195.4 Ų95.450%0.49749%0.493SS..Hα-helixtrans-65-49.5174.138.30000111.3E330 L334 R335 L336E330-T332 PolarHBondContact O-N 3.42Å; T332-L334 VanDerWaalsContact C-N 3.35Å; T332-L334 PolarHBondContact O-N 3.15Å; T332-R335 PolarHBondContact O-N 2.9Å; T332-L336 PolarHBondContact O-N 2.83Å; T332-L336 VanDerWaalsContact O-N 3.09Å
333D83Confident84.3Confident75 Ų7599 Ų9940%0.40151%0.507SS..Hα-helixtrans-64.3-39.5178.1-65-19000111.9A328 E330 R335 L336 A337A328-D333 HydrophobicContact CB-CB 3.95Å; E330-D333 HydrophobicContact CB-CB 4.4Å; E330-D333 PolarHBondContact O-N 3.22Å; D333-R335 VanDerWaalsContact C-N 3.35Å; D333-R335 PolarHBondContact O-N 3.32Å; D333-L336 PolarHBondContact O-N 3.47Å; D333-A337 VanDerWaalsContact O-CB 3.31Å; D333-A337 WeakPolarHBondContact O-CB 3.14Å; D333-A337 PolarHBondContact O-N 3Å
334L82Confident84.3Confident69 Ų6995.8 Ų95.836%0.36149%0.486SS..Hα-helixtrans-61.2-42.1175.1-77.5169.4000111.8A328 E330 T332 A337 V338A328-L334 HydrophobicContact CB-CD2 4Å; A328-L334 HydrophobicContact CB-CG 4.23Å; A328-L334 WeakPolarHBondContact O-CD2 3.43Å; E330-L334 WeakPolarHBondContact O-CG 3.42Å; E330-L334 PolarHBondContact O-N 3.48Å; T332-L334 VanDerWaalsContact C-N 3.35Å; T332-L334 PolarHBondContact O-N 3.15Å; L334-A337 PolarHBondContact O-N 3.01Å; L334-V338 WeakPolarHBondContact O-CB 3.48Å; L334-V338 VanDerWaalsContact O-CG2 3.26Å; L334-V338 WeakPolarHBondContact O-CG2 3.31Å; L334-V338 PolarHBondContact O-N 3.3Å
335R85.6Confident84.6Confident186 Ų18698.1 Ų98.170%0.70249%0.49SS*.Hα-helixtrans-64.3-44.6176.5-76176.7-178.1156.21.5111.8L331 T332 D333 V338 S339L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 3.4Å; L331-R335 VanDerWaalsContact O-N 3.16Å; T332-R335 PolarHBondContact O-N 2.9Å; D333-R335 VanDerWaalsContact C-N 3.35Å; D333-R335 PolarHBondContact O-N 3.32Å; R335-V338 PolarHBondContact O-N 2.95Å; R335-S339 PolarHBondContact O-N 2.8Å; R335-S339 PolarHBondContact O-OG 2.93Å
336L84.5Confident85Confident101 Ų10199.2 Ų99.253%0.52950%0.498SS..Hα-helixtrans-63-41.2176.3-69.4173.3000111.7T332 D333 S339 R340T332-L336 PolarHBondContact O-N 2.83Å; T332-L336 VanDerWaalsContact O-N 3.09Å; D333-L336 PolarHBondContact O-N 3.47Å; L336-S339 WeakPolarHBondContact CA-OG 3.42Å; L336-S339 PolarHBondContact O-N 3.1Å; L336-S339 PolarHBondContact O-OG 3.5Å; L336-R340 PolarHBondContact O-N 3.15Å
337A80.7Confident85.5Confident11 Ų1192.8 Ų92.89%0.09147%0.47CS..Hα-helixtrans-62.3-48.8175.700000111.2D333 L334 S339 R340 I341D333-A337 VanDerWaalsContact O-CB 3.31Å; D333-A337 WeakPolarHBondContact O-CB 3.14Å; D333-A337 PolarHBondContact O-N 3Å; L334-A337 PolarHBondContact O-N 3.01Å; A337-S339 VanDerWaalsContact C-N 3.27Å; A337-S339 PolarHBondContact O-N 3.45Å; A337-R340 PolarHBondContact O-N 3.29Å; A337-I341 WeakPolarHBondContact O-CG1 3.43Å; A337-I341 PolarHBondContact O-N 2.96Å
338V83.6Confident86Confident96 Ų9694.1 Ų94.158%0.58247%0.467SS*.Hα-helixtrans-58.8-38.5177.6170.60000111.6L334 R335 R340 I341L334-V338 WeakPolarHBondContact O-CB 3.48Å; L334-V338 VanDerWaalsContact O-CG2 3.26Å; L334-V338 WeakPolarHBondContact O-CG2 3.31Å; L334-V338 PolarHBondContact O-N 3.3Å; R335-V338 PolarHBondContact O-N 2.95Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 2.9Å; V338-I341 HydrophobicContact CG2-CD1 4.45Å; V338-I341 PolarHBondContact O-N 2.82Å
339S85.8Confident86.5Confident83 Ų8396.1 Ų96.158%0.5848%0.48SS*.Hα-helixtrans-66.4-26.1177.159.80000114.4R335 L336 A337 P342R335-S339 PolarHBondContact O-N 2.8Å; R335-S339 PolarHBondContact O-OG 2.93Å; L336-S339 WeakPolarHBondContact CA-OG 3.42Å; L336-S339 PolarHBondContact O-N 3.1Å; L336-S339 PolarHBondContact O-OG 3.5Å; A337-S339 VanDerWaalsContact C-N 3.27Å; A337-S339 PolarHBondContact O-N 3.45Å; S339-P342 WeakPolarHBondContact O-CD 3.49Å
340R84.5Confident87Confident137 Ų13787.9 Ų87.952%0.51744%0.444SS..Hα-helixtrans-87.6-16.6179.9-69.5-180-178.1179.70.8113.8L336 A337 V338 P342 E343 I344L336-R340 PolarHBondContact O-N 3.15Å; A337-R340 PolarHBondContact O-N 3.29Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 2.9Å; R340-P342 VanDerWaalsContact C-CD 3.44Å; R340-E343 PolarHBondContact O-N 3.29Å; R340-I344 HydrophobicContact CB-CD1 3.91Å; R340-I344 WeakPolarHBondContact O-CD1 3.02Å; R340-I344 VanDerWaalsContact O-CG1 3.3Å; R340-I344 WeakPolarHBondContact O-CG1 3.3Å; R340-I344 PolarHBondContact O-N 3.13Å
341I85.1Confident87.5Confident62 Ų6282.5 Ų82.532%0.31842%0.42SS..Hα-helixtrans-51.9-44.3-177.8-68.8173.9000113.3A337 V338 I344 R345A337-I341 WeakPolarHBondContact O-CG1 3.43Å; A337-I341 PolarHBondContact O-N 2.96Å; V338-I341 HydrophobicContact CG2-CD1 4.45Å; V338-I341 PolarHBondContact O-N 2.82Å; I341-I344 PolarHBondContact O-N 3.28Å; I341-R345 HydrophobicContact CG2-CG 4.18Å; I341-R345 WeakPolarHBondContact O-CB 3.24Å; I341-R345 WeakPolarHBondContact O-CG 3.24Å; I341-R345 PolarHBondContact O-N 3.13Å
342P87.3Confident88.1Confident87 Ų8783 Ų8357%0.56542%0.419SS*.Hα-helixtrans-62.7-43.6-178.7-23.435.1000112.9S339 R340 R345 S346S339-P342 WeakPolarHBondContact O-CD 3.49Å; R340-P342 VanDerWaalsContact C-CD 3.44Å; P342-R345 PolarHBondContact O-N 3.32Å; P342-S346 WeakPolarHBondContact O-CB 3.37Å; P342-S346 PolarHBondContact O-N 3.46Å
343E86.8Confident88.5Confident117 Ų11781 Ų8155%0.54740%0.404SS..Hα-helixtrans-64.1-45.9178-173.6-173.1168.900111M294 R340 R345 S346 K347M294-E343 HydrophobicContact CE-CG 3.88Å; M294-E343 HydrophobicContact SD-CG 4.46Å; R340-E343 PolarHBondContact O-N 3.29Å; E343-R345 PolarHBondContact O-N 2.88Å; E343-S346 WeakPolarHBondContact O-CB 3.48Å; E343-S346 PolarHBondContact O-N 3.34Å; E343-K347 PolarHBondContact O-N 2.8Å
344I88.1Confident89.1Confident21 Ų2177.4 Ų77.411%0.10839%0.385CS..Hα-helixtrans-60.6-45.2176.8-63.5159.8000110.9I318 I321 V322 R340 I341 S346 K347 Q348I318-I344 HydrophobicContact CG2-CG2 4.17Å; I321-I344 HydrophobicContact CB-CD1 4.46Å; I321-I344 HydrophobicContact CG2-CD1 3.34Å; I321-I344 HydrophobicContact CG2-CG1 4.01Å; V322-I344 HydrophobicContact CG2-CG2 3.88Å; R340-I344 HydrophobicContact CB-CD1 3.91Å; R340-I344 WeakPolarHBondContact O-CD1 3.02Å; R340-I344 VanDerWaalsContact O-CG1 3.3Å; R340-I344 WeakPolarHBondContact O-CG1 3.3Å; R340-I344 PolarHBondContact O-N 3.13Å; I341-I344 PolarHBondContact O-N 3.28Å; I344-S346 VanDerWaalsContact C-N 3.34Å; I344-S346 PolarHBondContact O-N 3.5Å; I344-K347 PolarHBondContact O-N 3.07Å; I344-Q348 VanDerWaalsContact O-CB 3.27Å; I344-Q348 WeakPolarHBondContact O-CB 3.49Å; I344-Q348 PolarHBondContact O-N 3.45Å
345R90.5Very high89.8Confident176 Ų17675.8 Ų75.866%0.66438%0.378SS*.Hα-helixtrans-63.2-40.2177.5-77.2-178.4178.5-176.71111.9I341 P342 E343 Q348 S349I341-R345 HydrophobicContact CG2-CG 4.18Å; I341-R345 WeakPolarHBondContact O-CB 3.24Å; I341-R345 WeakPolarHBondContact O-CG 3.24Å; I341-R345 PolarHBondContact O-N 3.13Å; P342-R345 PolarHBondContact O-N 3.32Å; E343-R345 PolarHBondContact O-N 2.88Å; R345-Q348 PolarHBondContact O-N 2.92Å; R345-S349 PolarHBondContact O-N 3.43Å
346S91.5Very high90.2Very high54 Ų5469.1 Ų69.138%0.37836%0.36SS..Hα-helixtrans-62.2-52.5174.9-167.50000110.7P342 E343 I344 Q348 S349 Q350P342-S346 WeakPolarHBondContact O-CB 3.37Å; P342-S346 PolarHBondContact O-N 3.46Å; E343-S346 WeakPolarHBondContact O-CB 3.48Å; E343-S346 PolarHBondContact O-N 3.34Å; I344-S346 VanDerWaalsContact C-N 3.34Å; I344-S346 PolarHBondContact O-N 3.5Å; S346-Q348 VanDerWaalsContact C-N 3.26Å; S346-Q348 PolarHBondContact O-N 3.25Å; S346-S349 PolarHBondContact O-N 3.24Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S346-Q350 VanDerWaalsContact O-CG 3.28Å; S346-Q350 WeakPolarHBondContact O-CG 3.23Å; S346-Q350 PolarHBondContact O-N 3.19Å; S346-Q350 PolarHBondContact OG-NE2 2.95Å
347K92.6Very high90.7Very high41 Ų4164.3 Ų64.318%0.17834%0.335CS..Hα-helixtrans-59.6-37178.6-157.3175.1-175.4176.60111.8M294 V295 E298 I314 I318 E343 I344 Q350 L351M294-K347 HydrophobicContact CE-CB 3.79Å; M294-K347 HydrophobicContact CE-CD 4.27Å; M294-K347 HydrophobicContact CE-CG 4.06Å; V295-K347 HydrophobicContact CG2-CG 3.8Å; E298-K347 IonicContact OE2-NZ 3.93Å; I314-K347 HydrophobicContact CG2-CD 4.44Å; I318-K347 HydrophobicContact CD1-CB 4.18Å; I318-K347 HydrophobicContact CD1-CD 4.35Å; I318-K347 HydrophobicContact CD1-CG 4.05Å; E343-K347 PolarHBondContact O-N 2.8Å; I344-K347 PolarHBondContact O-N 3.07Å; K347-Q350 PolarHBondContact O-N 3.33Å; K347-L351 VanDerWaalsContact O-CB 3.24Å; K347-L351 WeakPolarHBondContact O-CB 3.23Å; K347-L351 PolarHBondContact O-N 3.28Å
348Q93.7Very high91.5Very high103 Ų10364 Ų6448%0.48133%0.332SS..Hα-helixtrans-66-42.5176.2-173177.3-7.500112.4I344 R345 S346 L351 E352I344-Q348 VanDerWaalsContact O-CB 3.27Å; I344-Q348 WeakPolarHBondContact O-CB 3.49Å; I344-Q348 PolarHBondContact O-N 3.45Å; R345-Q348 PolarHBondContact O-N 2.92Å; S346-Q348 VanDerWaalsContact C-N 3.26Å; S346-Q348 PolarHBondContact O-N 3.25Å; Q348-L351 PolarHBondContact O-N 3.25Å; Q348-E352 PolarHBondContact O-N 3.41Å; Q348-E352 VanDerWaalsContact O-N 3.08Å
349S93.6Very high92.1Very high64 Ų6464.1 Ų64.145%0.44833%0.326SS..Hα-helixtrans-66.7-38.7175.6-176.20000112.1R345 S346 E352 I353R345-S349 PolarHBondContact O-N 3.43Å; S346-S349 PolarHBondContact O-N 3.24Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S349-E352 PolarHBondContact O-N 3.13Å; S349-I353 WeakPolarHBondContact O-CG1 3.41Å; S349-I353 PolarHBondContact O-N 3.19Å
350Q94.7Very high92.5Very high23 Ų2363 Ų6311%0.10731%0.312CS..Hα-helixtrans-64.9-44.3175.5-68.2169.9-13.500110.7S292 D293 V295 S346 K347 E352 I353 H354S292-Q350 PolarHBondContact O-NE2 3.04Å; D293-Q350 WeakPolarHBondContact OD1-CB 3.35Å; D293-Q350 PolarHBondContact OD1-OE1 3.28Å; D293-Q350 VanDerWaalsContact OD2-CG 3.26Å; D293-Q350 WeakPolarHBondContact OD2-CG 3.36Å; V295-Q350 HydrophobicContact CB-CB 4.19Å; V295-Q350 HydrophobicContact CG2-CB 3.89Å; S346-Q350 VanDerWaalsContact O-CG 3.28Å; S346-Q350 WeakPolarHBondContact O-CG 3.23Å; S346-Q350 PolarHBondContact O-N 3.19Å; S346-Q350 PolarHBondContact OG-NE2 2.95Å; K347-Q350 PolarHBondContact O-N 3.33Å; Q350-E352 VanDerWaalsContact C-N 3.34Å; Q350-E352 PolarHBondContact O-N 3.23Å; Q350-I353 WeakPolarHBondContact O-CB 3.44Å; Q350-I353 PolarHBondContact O-N 3.33Å; Q350-H354 PolarHBondContact O-CD2 2.98Å; Q350-H354 PolarHBondContact O-N 3.15Å
351L96Very high93.1Very high14 Ų1456.4 Ų56.47%0.07329%0.287CS..Hα-helixtrans-58.2-43175.8177.164.9000112.4V295 L311 I314 T315 I318 K347 Q348 I353 H354 T355V295-L351 HydrophobicContact CG2-CB 4.24Å; L311-L351 HydrophobicContact CB-CD1 4.29Å; L311-L351 HydrophobicContact CD2-CD1 3.78Å; I314-L351 HydrophobicContact CB-CD1 4.4Å; I314-L351 HydrophobicContact CG2-CD1 4.22Å; I314-L351 HydrophobicContact CG2-CD2 4.3Å; T315-L351 WeakPolarHBondContact OG1-CD2 3.29Å; I318-L351 HydrophobicContact CD1-CD2 3.87Å; K347-L351 VanDerWaalsContact O-CB 3.24Å; K347-L351 WeakPolarHBondContact O-CB 3.23Å; K347-L351 PolarHBondContact O-N 3.28Å; Q348-L351 PolarHBondContact O-N 3.25Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 3.25Å; L351-H354 PolarHBondContact O-N 2.96Å; L351-T355 WeakPolarHBondContact O-CB 3.45Å; L351-T355 PolarHBondContact O-N 2.89Å; L351-T355 PolarHBondContact O-OG1 3.37Å
352E94.6Very high93.7Very high143 Ų14355.3 Ų55.367%0.66828%0.281SS*.Hα-helixtrans-61.1-44176.5-175.4-179178.800111.6Q348 S349 Q350 T355 S356Q348-E352 PolarHBondContact O-N 3.41Å; Q348-E352 VanDerWaalsContact O-N 3.08Å; S349-E352 PolarHBondContact O-N 3.13Å; Q350-E352 VanDerWaalsContact C-N 3.34Å; Q350-E352 PolarHBondContact O-N 3.23Å; E352-T355 PolarHBondContact O-N 2.9Å; E352-S356 PolarHBondContact O-N 2.98Å; E352-S356 VanDerWaalsContact O-N 3.09Å
353I93.7Very high94.1Very high37 Ų3757.3 Ų57.319%0.1928%0.281CS..Hα-helixtrans-59.2-52175.8-68.6166.4000110.4F287 S349 Q350 L351 T355 S356 L357F287-I353 HydrophobicContact CD1-CB 4.3Å; F287-I353 HydrophobicContact CD1-CD1 4.12Å; F287-I353 HydrophobicContact CD1-CG1 4.08Å; F287-I353 HydrophobicContact CD1-CG2 3.3Å; F287-I353 HydrophobicContact CE1-CB 4.27Å; F287-I353 HydrophobicContact CE1-CD1 4.35Å; F287-I353 HydrophobicContact CE1-CG1 3.91Å; F287-I353 HydrophobicContact CE1-CG2 3.57Å; F287-I353 HydrophobicContact CG-CG2 4.04Å; F287-I353 HydrophobicContact CZ-CG2 4.49Å; S349-I353 WeakPolarHBondContact O-CG1 3.41Å; S349-I353 PolarHBondContact O-N 3.19Å; Q350-I353 WeakPolarHBondContact O-CB 3.44Å; Q350-I353 PolarHBondContact O-N 3.33Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 3.25Å; I353-T355 VanDerWaalsContact C-N 3.34Å; I353-T355 PolarHBondContact O-N 3.14Å; I353-S356 PolarHBondContact O-N 3.33Å; I353-L357 HydrophobicContact CG2-CD1 3.92Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CG 3.48Å; I353-L357 PolarHBondContact O-N 3.45Å
354H96.3Very high94.6Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-69.3-31-176.1-76.4-64.6000113.4Y258 D293 V295 Y296 I299 L311 Q350 L351 A358Y258-H354 AromaticContact CE1-ND1 3.64Å; Y258-H354 AromaticContact CZ-ND1 3.46Å; Y258-H354 PolarHBondContact OH-ND1 3.34Å; D293-H354 IonicContact OD1-CD2 2.95Å; D293-H354 IonicContact OD1-NE2 2.87Å; D293-H354 PolarHBondContact OD1-NE2 3.07Å; D293-H354 IonicContact OD2-CD2 3.85Å; D293-H354 IonicContact OD2-NE2 3.19Å; D293-H354 PolarHBondContact OD2-NE2 3.27Å; V295-H354 HydrophobicContact CG1-CB 3.89Å; Y296-H354 WeakPolarHBondContact CB-NE2 3.45Å; Y296-H354 AromaticContact CD2-CE1 3.64Å; I299-H354 HydrophobicContact CD1-CB 3.9Å; L311-H354 HydrophobicContact CD2-CB 4.12Å; Q350-H354 PolarHBondContact O-CD2 2.98Å; Q350-H354 PolarHBondContact O-N 3.15Å; L351-H354 PolarHBondContact O-N 2.96Å; H354-A358 WeakPolarHBondContact O-CB 3.27Å; H354-A358 PolarHBondContact O-N 3.42Å
355T96.3Very high95Very high36 Ų3652.6 Ų52.622%0.22126%0.257CS..Hα-helixtrans-64.4-48172-550000110.3L351 E352 I353 L357 A358 E359L351-T355 WeakPolarHBondContact O-CB 3.45Å; L351-T355 PolarHBondContact O-N 2.89Å; L351-T355 PolarHBondContact O-OG1 3.37Å; E352-T355 PolarHBondContact O-N 2.9Å; I353-T355 VanDerWaalsContact C-N 3.34Å; I353-T355 PolarHBondContact O-N 3.14Å; T355-L357 PolarHBondContact O-N 3.21Å; T355-A358 PolarHBondContact O-N 2.66Å; T355-E359 WeakPolarHBondContact O-CG 3.44Å; T355-E359 PolarHBondContact O-N 3.45Å
356S94.6Very high95.3Very high46 Ų4646.9 Ų46.932%0.32224%0.244SC..Hα-helixtrans-62.6-40.9177.4177.30000112.7E352 I353 E359 E360E352-S356 PolarHBondContact O-N 2.98Å; E352-S356 VanDerWaalsContact O-N 3.09Å; I353-S356 PolarHBondContact O-N 3.33Å; S356-E359 PolarHBondContact O-N 2.66Å; S356-E360 PolarHBondContact O-N 3.37Å
357L94.8Very high95.6Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-65-44.3174.9-71175.1000111.7Y258 W266 P275 F287 I353 T355 E359 E360 I361Y258-L357 WeakPolarHBondContact OH-CB 3.06Å; Y258-L357 VanDerWaalsContact OH-CD1 3.31Å; Y258-L357 WeakPolarHBondContact OH-CD1 3.41Å; W266-L357 HydrophobicContact CZ3-CD2 4.37Å; P275-L357 HydrophobicContact CB-CD2 4.38Å; P275-L357 HydrophobicContact CG-CD2 3.62Å; F287-L357 HydrophobicContact CD2-CD2 4.34Å; F287-L357 HydrophobicContact CE2-CD2 4.23Å; I353-L357 HydrophobicContact CG2-CD1 3.92Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CG 3.48Å; I353-L357 PolarHBondContact O-N 3.45Å; T355-L357 PolarHBondContact O-N 3.21Å; L357-E359 VanDerWaalsContact C-N 3.29Å; L357-E359 PolarHBondContact O-N 2.86Å; L357-E360 PolarHBondContact O-N 3.36Å; L357-I361 VanDerWaalsContact O-CG1 3.3Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 2.89Å
358A96.8Very high95.8Very high4 Ų451 Ų513%0.03327%0.266CS..Hα-helixtrans-61.4-37.8178.500000111.9Y258 F304 V307 L311 H354 T355 E360 I361 Q362Y258-A358 HydrophobicContact CE2-CB 4.43Å; F304-A358 HydrophobicContact CE2-CB 4.34Å; F304-A358 WeakPolarHBondContact CZ-O 3.43Å; V307-A358 HydrophobicContact CG1-CB 4.46Å; L311-A358 HydrophobicContact CD1-CB 3.9Å; H354-A358 WeakPolarHBondContact O-CB 3.27Å; H354-A358 PolarHBondContact O-N 3.42Å; T355-A358 PolarHBondContact O-N 2.66Å; A358-E360 PolarHBondContact O-N 2.87Å; A358-I361 PolarHBondContact O-N 2.95Å; A358-Q362 VanDerWaalsContact O-CB 3.3Å; A358-Q362 WeakPolarHBondContact O-CB 3.26Å; A358-Q362 PolarHBondContact O-N 3.04Å
359E96.2Very high95.8Very high98 Ų9849.8 Ų49.846%0.45826%0.263SS..Hα-helixtrans-61.8-42.3174.2-72.5172.2179.900112.5T355 S356 L357 Q362 K363T355-E359 WeakPolarHBondContact O-CG 3.44Å; T355-E359 PolarHBondContact O-N 3.45Å; S356-E359 PolarHBondContact O-N 2.66Å; L357-E359 VanDerWaalsContact C-N 3.29Å; L357-E359 PolarHBondContact O-N 2.86Å; E359-Q362 WeakPolarHBondContact O-CB 3.38Å; E359-Q362 PolarHBondContact O-N 2.95Å; E359-K363 WeakPolarHBondContact O-CG 3.39Å; E359-K363 PolarHBondContact O-N 3.12Å; E359-K363 VanDerWaalsContact O-N 3.09Å
360E94.6Very high96Very high59 Ų5947.1 Ų47.128%0.27624%0.243SC..Hα-helixtrans-70.8-37.5176.9-68.8-56134.500112.7W266 L277 S356 L357 A358 Q362 K363 Y364W266-E360 HydrophobicContact CH2-CB 3.64Å; W266-E360 HydrophobicContact CZ2-CB 3.72Å; L277-E360 HydrophobicContact CD2-CG 3.7Å; S356-E360 PolarHBondContact O-N 3.37Å; L357-E360 PolarHBondContact O-N 3.36Å; A358-E360 PolarHBondContact O-N 2.87Å; E360-Q362 VanDerWaalsContact C-N 3.31Å; E360-K363 WeakPolarHBondContact O-CB 3.46Å; E360-K363 PolarHBondContact O-N 2.85Å; E360-K363 IonicContact OE1-NZ 2.77Å; E360-K363 PolarHBondContact OE1-NZ 3.42Å; E360-K363 IonicContact OE2-NZ 3.02Å; E360-Y364 PolarHBondContact O-N 3.27Å; E360-Y364 VanDerWaalsContact O-N 3.09Å
361I97.1Very high96.1Very high0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-63.1-42.5171.9-63.2165.6000109.7Y258 L261 V262 W266 F304 L357 A358 K363 Y364 V365Y258-I361 HydrophobicContact CD2-CD1 3.98Å; Y258-I361 HydrophobicContact CE2-CD1 3.67Å; L261-I361 HydrophobicContact CB-CG2 3.81Å; L261-I361 HydrophobicContact CD1-CG2 3.69Å; L261-I361 HydrophobicContact CG-CG2 4.33Å; V262-I361 HydrophobicContact CG2-CD1 3.51Å; W266-I361 HydrophobicContact CH2-CG1 3.81Å; W266-I361 HydrophobicContact CZ3-CD1 4.24Å; W266-I361 HydrophobicContact CZ3-CG1 3.61Å; F304-I361 HydrophobicContact CD1-CG2 4.15Å; F304-I361 HydrophobicContact CD2-CG2 3.85Å; F304-I361 HydrophobicContact CE1-CB 4.38Å; F304-I361 HydrophobicContact CE1-CG2 3.75Å; F304-I361 HydrophobicContact CE2-CB 3.71Å; F304-I361 HydrophobicContact CE2-CD1 4.07Å; F304-I361 HydrophobicContact CE2-CG2 3.43Å; F304-I361 VanDerWaalsContact CE2-CG2 3.43Å; F304-I361 HydrophobicContact CG-CG2 4.21Å; F304-I361 HydrophobicContact CZ-CB 3.61Å; F304-I361 HydrophobicContact CZ-CG2 3.38Å; L357-I361 VanDerWaalsContact O-CG1 3.3Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 2.89Å; A358-I361 PolarHBondContact O-N 2.95Å; I361-K363 VanDerWaalsContact C-N 3.29Å; I361-K363 PolarHBondContact O-N 2.82Å; I361-Y364 CarbonylContact O-C 3.49Å; I361-Y364 WeakPolarHBondContact O-CA 3.45Å; I361-Y364 WeakPolarHBondContact O-CB 3.39Å; I361-Y364 PolarHBondContact O-N 2.86Å; I361-V365 HydrophobicContact CG2-CG1 3.99Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.15Å
362Q97.8Very high96.2Very high39 Ų3948 Ų4818%0.18225%0.251CS..Hα-helixtrans-58.2-42.3177.9-178.958.929.400111.2F304 A358 E359 E360 Y364 S366 M597F304-Q362 HydrophobicContact CE1-CB 4.31Å; F304-Q362 HydrophobicContact CZ-CB 4.25Å; A358-Q362 VanDerWaalsContact O-CB 3.3Å; A358-Q362 WeakPolarHBondContact O-CB 3.26Å; A358-Q362 PolarHBondContact O-N 3.04Å; E359-Q362 WeakPolarHBondContact O-CB 3.38Å; E359-Q362 PolarHBondContact O-N 2.95Å; E360-Q362 VanDerWaalsContact C-N 3.31Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Q362-Y364 PolarHBondContact O-N 3.08Å; Q362-S366 PolarHBondContact NE2-OG 3.09Å; Q362-S366 VanDerWaalsContact O-CB 3.23Å; Q362-S366 WeakPolarHBondContact O-CB 3.5Å; Q362-S366 PolarHBondContact O-N 3.14Å; Q362-S366 VanDerWaalsContact O-N 3.09Å; Q362-S366 PolarHBondContact O-OG 3.44Å; Q362-M597 HydrophobicContact CB-SD 3.84Å; Q362-M597 HydrophobicContact CG-CG 4.26Å; Q362-M597 HydrophobicContact CG-SD 3.81Å; Q362-M597 PolarHBondContact OE1-SD 2.89Å
363K96.5Very high96.4Very high129 Ų12941.5 Ų41.556%0.56122%0.22SC*.Hα-helixtrans-59.6-43.8172.8-68.5171.7-170.7170.70111.6E359 E360 I361 T367E359-K363 WeakPolarHBondContact O-CG 3.39Å; E359-K363 PolarHBondContact O-N 3.12Å; E359-K363 VanDerWaalsContact O-N 3.09Å; E360-K363 WeakPolarHBondContact O-CB 3.46Å; E360-K363 PolarHBondContact O-N 2.85Å; E360-K363 IonicContact OE1-NZ 2.77Å; E360-K363 PolarHBondContact OE1-NZ 3.42Å; E360-K363 IonicContact OE2-NZ 3.02Å; I361-K363 VanDerWaalsContact C-N 3.29Å; I361-K363 PolarHBondContact O-N 2.82Å; K363-T367 WeakPolarHBondContact O-CG2 3.34Å
364Y95.7Very high96.6Very high35 Ų3540 Ų4014%0.13721%0.213CC..Hα-helixtrans-65.5-50.5179.5173.1-121000112.9K265 E360 I361 Q362 S366 T367 F370K265-Y364 HydrophobicContact CB-CD1 4.3Å; K265-Y364 HydrophobicContact CB-CE1 4.43Å; K265-Y364 HydrophobicContact CD-CD1 4.15Å; K265-Y364 HydrophobicContact CD-CD2 3.87Å; K265-Y364 HydrophobicContact CD-CE1 4.39Å; K265-Y364 HydrophobicContact CD-CE2 4.12Å; K265-Y364 HydrophobicContact CD-CG 3.88Å; K265-Y364 HydrophobicContact CG-CD1 4.45Å; K265-Y364 HydrophobicContact CG-CG 4.46Å; E360-Y364 PolarHBondContact O-N 3.27Å; E360-Y364 VanDerWaalsContact O-N 3.09Å; I361-Y364 CarbonylContact O-C 3.49Å; I361-Y364 WeakPolarHBondContact O-CA 3.45Å; I361-Y364 WeakPolarHBondContact O-CB 3.39Å; I361-Y364 PolarHBondContact O-N 2.86Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Q362-Y364 PolarHBondContact O-N 3.08Å; Y364-S366 PolarHBondContact O-N 2.89Å; Y364-T367 WeakPolarHBondContact O-CB 3.39Å; Y364-T367 WeakPolarHBondContact O-CG2 3.42Å; Y364-T367 PolarHBondContact O-N 2.65Å; Y364-T367 VanDerWaalsContact O-N 3.16Å; Y364-T367 PolarHBondContact O-OG1 3.3Å; Y364-F370 HydrophobicContact CD1-CD2 4.39Å; Y364-F370 AromaticContact CE1-CD2 3.76Å; Y364-F370 HydrophobicContact CE1-CD2 3.76Å; Y364-F370 AromaticContact CE1-CE2 3.97Å; Y364-F370 HydrophobicContact CE1-CE2 3.97Å; Y364-F370 HydrophobicContact CE2-CD2 4.4Å; Y364-F370 AromaticContact CZ-CD2 3.76Å
365V97.1Very high96.6Very high4 Ų445.7 Ų45.72%0.02423%0.234CC..Hα-helixtrans-72.2-17.4-177.6-57.90000113.6L261 F304 I361 T367 F370 V599L261-V365 HydrophobicContact CD1-CG1 3.83Å; L261-V365 HydrophobicContact CD2-CG1 3.83Å; L261-V365 HydrophobicContact CG-CG1 4.45Å; F304-V365 HydrophobicContact CD1-CG2 4.02Å; F304-V365 HydrophobicContact CE1-CG2 3.76Å; I361-V365 HydrophobicContact CG2-CG1 3.99Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.15Å; V365-T367 VanDerWaalsContact C-N 3.32Å; V365-F370 HydrophobicContact CB-CD1 3.96Å; V365-F370 HydrophobicContact CB-CE1 3.82Å; V365-F370 HydrophobicContact CB-CZ 4.25Å; V365-F370 HydrophobicContact CG1-CD1 4.38Å; V365-F370 HydrophobicContact CG1-CE1 3.96Å; V365-F370 HydrophobicContact CG1-CE2 4.18Å; V365-F370 HydrophobicContact CG1-CZ 3.85Å; V365-F370 VanDerWaalsContact O-CD1 3.3Å; V365-F370 WeakPolarHBondContact O-CD1 3.44Å; V365-V599 HydrophobicContact CB-CG1 4.23Å; V365-V599 HydrophobicContact CG2-CG1 3.94Å; V365-V599 HydrophobicContact CG2-CG2 4.03Å
366S97.2Very high96.7Very high56 Ų5644 Ų4439%0.39222%0.224SC..THydrogen-bonded Turntrans-85.6-2.9174.7-54.60000113.2Q362 Y364Q362-S366 PolarHBondContact NE2-OG 3.09Å; Q362-S366 VanDerWaalsContact O-CB 3.23Å; Q362-S366 WeakPolarHBondContact O-CB 3.5Å; Q362-S366 PolarHBondContact O-N 3.14Å; Q362-S366 VanDerWaalsContact O-N 3.09Å; Q362-S366 PolarHBondContact O-OG 3.44Å; Y364-S366 PolarHBondContact O-N 2.89Å
367T97Very high96.9Very high52 Ų5242 Ų4232%0.31921%0.21SC..SBendtrans-68.9144.3176.459.80000111.2K363 Y364 V365 D369 F370 L371K363-T367 WeakPolarHBondContact O-CG2 3.34Å; Y364-T367 WeakPolarHBondContact O-CB 3.39Å; Y364-T367 WeakPolarHBondContact O-CG2 3.42Å; Y364-T367 PolarHBondContact O-N 2.65Å; Y364-T367 VanDerWaalsContact O-N 3.16Å; Y364-T367 PolarHBondContact O-OG1 3.3Å; V365-T367 VanDerWaalsContact C-N 3.32Å; T367-D369 PolarHBondContact O-N 2.99Å; T367-F370 PolarHBondContact O-N 3.46Å; T367-F370 VanDerWaalsContact OG1-CB 3.24Å; T367-F370 WeakPolarHBondContact OG1-CB 3.49Å; T367-F370 PolarHBondContact OG1-N 2.79Å; T367-L371 WeakPolarHBondContact O-CG 3.48Å; T367-L371 PolarHBondContact O-N 2.7Å; T367-L371 VanDerWaalsContact O-N 3.07Å
368D96.6Very high96.9Very high130 Ų13045 Ų4570%0.69522%0.224SC*.Hα-helixtrans-60.2-35.6175.9-70.2-35.5000111.6L371 S372D368-L371 PolarHBondContact O-N 2.82Å; D368-S372 WeakPolarHBondContact O-CB 3.29Å; D368-S372 PolarHBondContact O-N 3.41Å; D368-S372 PolarHBondContact O-OG 3.32Å
369D94.7Very high96.9Very high77 Ų7747.6 Ų47.641%0.41224%0.237SC..Hα-helixtrans-63.6-48.7176.7-69.9-38.5000111.4T367 L371 S372 I373 R399T367-D369 PolarHBondContact O-N 2.99Å; D369-L371 PolarHBondContact O-N 3.05Å; D369-S372 PolarHBondContact O-N 2.9Å; D369-I373 WeakPolarHBondContact O-CB 3.38Å; D369-I373 VanDerWaalsContact O-CG1 3.26Å; D369-I373 WeakPolarHBondContact O-CG1 3.4Å; D369-I373 PolarHBondContact O-N 3.11Å; D369-R399 IonicContact OD1-NH1 2.68Å; D369-R399 PolarHBondContact OD1-NH1 2.87Å; D369-R399 VanDerWaalsContact OD1-NH1 3.15Å
370F97.2Very high97Very high8 Ų843 Ų434%0.03522%0.215CC..Hα-helixtrans-60-47.2177.3178.7-88.2000111.7N254 L256 L261 Y364 V365 T367 S372 I373 L374N254-F370 WeakPolarHBondContact ND2-CE2 3.41Å; L256-F370 HydrophobicContact CD2-CZ 4.06Å; L261-F370 HydrophobicContact CD2-CE2 3.98Å; L261-F370 HydrophobicContact CD2-CZ 3.97Å; Y364-F370 HydrophobicContact CD1-CD2 4.39Å; Y364-F370 AromaticContact CE1-CD2 3.76Å; Y364-F370 HydrophobicContact CE1-CD2 3.76Å; Y364-F370 AromaticContact CE1-CE2 3.97Å; Y364-F370 HydrophobicContact CE1-CE2 3.97Å; Y364-F370 HydrophobicContact CE2-CD2 4.4Å; Y364-F370 AromaticContact CZ-CD2 3.76Å; V365-F370 HydrophobicContact CB-CD1 3.96Å; V365-F370 HydrophobicContact CB-CE1 3.82Å; V365-F370 HydrophobicContact CB-CZ 4.25Å; V365-F370 HydrophobicContact CG1-CD1 4.38Å; V365-F370 HydrophobicContact CG1-CE1 3.96Å; V365-F370 HydrophobicContact CG1-CE2 4.18Å; V365-F370 HydrophobicContact CG1-CZ 3.85Å; V365-F370 VanDerWaalsContact O-CD1 3.3Å; V365-F370 WeakPolarHBondContact O-CD1 3.44Å; T367-F370 PolarHBondContact O-N 3.46Å; T367-F370 VanDerWaalsContact OG1-CB 3.24Å; T367-F370 WeakPolarHBondContact OG1-CB 3.49Å; T367-F370 PolarHBondContact OG1-N 2.79Å; F370-S372 VanDerWaalsContact C-N 3.32Å; F370-S372 PolarHBondContact O-N 3.15Å; F370-I373 PolarHBondContact O-N 3.48Å; F370-L374 HydrophobicContact CE1-CD2 4.19Å; F370-L374 WeakPolarHBondContact O-CB 3.21Å; F370-L374 PolarHBondContact O-N 3.21Å
371L97.9Very high97.1Very high26 Ų2640.6 Ų40.614%0.13621%0.205CC..Hα-helixtrans-64.5-37.9-179.6-68.5174.2000111.8T367 D368 D369 L374 R375 V599T367-L371 WeakPolarHBondContact O-CG 3.48Å; T367-L371 PolarHBondContact O-N 2.7Å; T367-L371 VanDerWaalsContact O-N 3.07Å; D368-L371 PolarHBondContact O-N 2.82Å; D369-L371 PolarHBondContact O-N 3.05Å; L371-L374 PolarHBondContact O-N 3.45Å; L371-R375 VanDerWaalsContact O-CG 3.26Å; L371-R375 WeakPolarHBondContact O-CG 3.4Å; L371-R375 PolarHBondContact O-N 3.42Å; L371-V599 HydrophobicContact CD2-CG1 4.11Å
372S98Very high97.1Very high30 Ų3043.2 Ų43.221%0.2122%0.219CC..Hα-helixtrans-72.2-40.2179-58.60000111.9D368 D369 F370 R375 A376D368-S372 WeakPolarHBondContact O-CB 3.29Å; D368-S372 PolarHBondContact O-N 3.41Å; D368-S372 PolarHBondContact O-OG 3.32Å; D369-S372 PolarHBondContact O-N 2.9Å; F370-S372 VanDerWaalsContact C-N 3.32Å; F370-S372 PolarHBondContact O-N 3.15Å; S372-R375 PolarHBondContact O-N 3.11Å; S372-A376 WeakPolarHBondContact O-CB 3.41Å; S372-A376 PolarHBondContact O-N 3.33Å
373I97.9Very high96.9Very high5 Ų542.7 Ų42.73%0.02622%0.224CC..Hα-helixtrans-58.1-49.8170.4-71.7168.7000109.8D369 F370 R375 A376 Q377 F392 E405 L409D369-I373 WeakPolarHBondContact O-CB 3.38Å; D369-I373 VanDerWaalsContact O-CG1 3.26Å; D369-I373 WeakPolarHBondContact O-CG1 3.4Å; D369-I373 PolarHBondContact O-N 3.11Å; F370-I373 PolarHBondContact O-N 3.48Å; I373-R375 VanDerWaalsContact C-N 3.35Å; I373-R375 PolarHBondContact O-N 2.82Å; I373-A376 PolarHBondContact O-N 3.36Å; I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.28Å; I373-Q377 WeakPolarHBondContact O-CG 3.49Å; I373-Q377 PolarHBondContact O-N 2.78Å; I373-F392 HydrophobicContact CG1-CE1 3.79Å; I373-F392 HydrophobicContact CG1-CZ 4.13Å; I373-E405 HydrophobicContact CD1-CB 4.37Å; I373-E405 HydrophobicContact CD1-CG 4.3Å; I373-L409 HydrophobicContact CG1-CD1 4.41Å; I373-L409 HydrophobicContact CG2-CD2 4.25Å
374L97.6Very high96.8Very high6 Ų643.3 Ų43.33%0.03122%0.224CC..Hα-helixtrans-61.1-42.8-178.4-175.163.4000111.9N254 L256 F370 L371 Q377 Q378 L600N254-L374 HydrophobicContact CB-CD1 4.18Å; L256-L374 HydrophobicContact CD2-CD1 4.31Å; L256-L374 HydrophobicContact CD2-CD2 4.36Å; F370-L374 HydrophobicContact CE1-CD2 4.19Å; F370-L374 WeakPolarHBondContact O-CB 3.21Å; F370-L374 PolarHBondContact O-N 3.21Å; L371-L374 PolarHBondContact O-N 3.45Å; L374-Q377 WeakPolarHBondContact O-CB 3.36Å; L374-Q377 PolarHBondContact O-N 3.21Å; L374-Q378 WeakPolarHBondContact O-CG 3.41Å; L374-Q378 PolarHBondContact O-N 3.42Å; L374-L600 HydrophobicContact CD2-CD2 3.93Å
375R97.4Very high96.5Very high119 Ų11946.9 Ų46.945%0.44924%0.242SC..Hα-helixtrans-60.8-49.6175.4-74.3171.9-170.8154.24.5111.7L371 S372 I373 Q377 Q378 D379L371-R375 VanDerWaalsContact O-CG 3.26Å; L371-R375 WeakPolarHBondContact O-CG 3.4Å; L371-R375 PolarHBondContact O-N 3.42Å; S372-R375 PolarHBondContact O-N 3.11Å; I373-R375 VanDerWaalsContact C-N 3.35Å; I373-R375 PolarHBondContact O-N 2.82Å; R375-Q377 VanDerWaalsContact C-N 3.29Å; R375-Q377 PolarHBondContact O-N 3.16Å; R375-Q378 WeakPolarHBondContact O-CB 3.38Å; R375-Q378 PolarHBondContact O-N 2.94Å; R375-D379 PolarHBondContact O-N 3.39Å
376A98Very high96.2Very high2 Ų247.3 Ų47.32%0.01724%0.244CC..Hα-helixtrans-58.6-40.5177.800000112S372 I373 Q378 D379 F380 L409S372-A376 WeakPolarHBondContact O-CB 3.41Å; S372-A376 PolarHBondContact O-N 3.33Å; I373-A376 PolarHBondContact O-N 3.36Å; A376-Q378 PolarHBondContact O-N 3.37Å; A376-D379 PolarHBondContact O-N 3.32Å; A376-F380 HydrophobicContact CB-CE2 4.21Å; A376-F380 HydrophobicContact CB-CZ 4.49Å; A376-F380 WeakPolarHBondContact O-CD2 3.35Å; A376-F380 WeakPolarHBondContact O-CG 3.47Å; A376-F380 PolarHBondContact O-N 2.84Å; A376-L409 HydrophobicContact CB-CD2 4Å
377Q97.9Very high96Very high4 Ų447.9 Ų47.92%0.01924%0.243CC..Hα-helixtrans-59.3-45.9173.9-68.3178.26.400111.9N254 I373 L374 R375 F380 I381 L409 I412N254-Q377 PolarHBondContact OD1-NE2 2.84Å; I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.28Å; I373-Q377 WeakPolarHBondContact O-CG 3.49Å; I373-Q377 PolarHBondContact O-N 2.78Å; L374-Q377 WeakPolarHBondContact O-CB 3.36Å; L374-Q377 PolarHBondContact O-N 3.21Å; R375-Q377 VanDerWaalsContact C-N 3.29Å; R375-Q377 PolarHBondContact O-N 3.16Å; Q377-F380 PolarHBondContact O-N 3.39Å; Q377-I381 WeakPolarHBondContact O-CB 3.28Å; Q377-I381 WeakPolarHBondContact O-CD1 3.37Å; Q377-I381 WeakPolarHBondContact O-CG1 2.98Å; Q377-I381 PolarHBondContact O-N 3.34Å; Q377-L409 HydrophobicContact CG-CD2 4.19Å; Q377-I412 HydrophobicContact CG-CD1 3.74Å
378Q96.4Very high95.9Very high62 Ų6252.2 Ų52.229%0.2926%0.257SS..Hα-helixtrans-63.3-42.5177.8-69.5176.1-58.400111.9L374 R375 A376 I381 N382 S533L374-Q378 WeakPolarHBondContact O-CG 3.41Å; L374-Q378 PolarHBondContact O-N 3.42Å; R375-Q378 WeakPolarHBondContact O-CB 3.38Å; R375-Q378 PolarHBondContact O-N 2.94Å; A376-Q378 PolarHBondContact O-N 3.37Å; Q378-I381 PolarHBondContact O-N 3.07Å; Q378-N382 VanDerWaalsContact O-CB 3.29Å; Q378-N382 WeakPolarHBondContact O-CB 3.38Å; Q378-N382 PolarHBondContact O-N 3.29Å; Q378-N382 PolarHBondContact O-ND2 3.49Å; Q378-S533 PolarHBondContact NE2-O 3.26Å; Q378-S533 PolarHBondContact NE2-OG 2.79Å
379D96.6Very high95.9Very high59 Ų5947.4 Ų47.432%0.31624%0.236SC..Hα-helixtrans-60.6-47.8178.4-70.3-27.2000110.7R375 A376 N382 G383 Y384R375-D379 PolarHBondContact O-N 3.39Å; A376-D379 PolarHBondContact O-N 3.32Å; D379-N382 CarbonylContact O-C 3.51Å; D379-N382 PolarHBondContact O-N 3.24Å; D379-N382 VanDerWaalsContact O-N 3.16Å; D379-G383 PolarHBondContact O-N 2.8Å; D379-Y384 PolarHBondContact O-N 3.12Å
380F98.1Very high96Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-63.9-46.3177.1-59.6-30.2000113A376 Q377 N382 G383 T386 H390 I393 L409 I412 Q413 C416A376-F380 HydrophobicContact CB-CE2 4.21Å; A376-F380 HydrophobicContact CB-CZ 4.49Å; A376-F380 WeakPolarHBondContact O-CD2 3.35Å; A376-F380 WeakPolarHBondContact O-CG 3.47Å; A376-F380 PolarHBondContact O-N 2.84Å; Q377-F380 PolarHBondContact O-N 3.39Å; F380-N382 PolarHBondContact O-N 2.89Å; F380-G383 PolarHBondContact O-N 2.96Å; F380-T386 HydrophobicContact CB-CG2 4.49Å; F380-T386 HydrophobicContact CD1-CG2 4.1Å; F380-H390 HydrophobicContact CE1-CB 4.36Å; F380-H390 AromaticContact CE1-CD2 3.55Å; F380-H390 HydrophobicContact CZ-CB 3.99Å; F380-H390 AromaticContact CZ-CD2 3.57Å; F380-H390 AromaticContact CZ-CG 3.77Å; F380-I393 HydrophobicContact CE2-CD1 4.18Å; F380-I393 HydrophobicContact CZ-CD1 3.93Å; F380-L409 HydrophobicContact CE2-CB 4.46Å; F380-L409 HydrophobicContact CE2-CD2 4.42Å; F380-I412 HydrophobicContact CB-CG2 3.75Å; F380-I412 HydrophobicContact CD2-CB 4.27Å; F380-I412 HydrophobicContact CD2-CG2 3.86Å; F380-I412 HydrophobicContact CG-CG2 4.3Å; F380-Q413 HydrophobicContact CD1-CB 4.23Å; F380-Q413 HydrophobicContact CD1-CG 4Å; F380-Q413 HydrophobicContact CD2-CB 4.03Å; F380-Q413 HydrophobicContact CE1-CB 4.12Å; F380-Q413 HydrophobicContact CE1-CG 3.76Å; F380-Q413 HydrophobicContact CE2-CB 3.91Å; F380-Q413 HydrophobicContact CE2-CG 4.45Å; F380-Q413 HydrophobicContact CG-CB 4.2Å; F380-Q413 HydrophobicContact CG-CG 4.46Å; F380-Q413 HydrophobicContact CZ-CB 3.96Å; F380-Q413 HydrophobicContact CZ-CG 4.01Å; F380-C416 HydrophobicContact CB-CB 4.32Å; F380-C416 WeakPolarHBondContact O-CB 3.4Å; F380-C416 PolarHBondContact O-SG 3.25Å
381I97.2Very high96Very high10 Ų1047.9 Ų47.95%0.05124%0.243CC..Hα-helixtrans-55.3-37.9174.9-74.2167.3000110.5L253 Q377 Q378 G383 Y502 K507 V513 Y535L253-I381 HydrophobicContact CD1-CD1 3.85Å; L253-I381 HydrophobicContact CD2-CD1 3.81Å; L253-I381 HydrophobicContact CD2-CG1 4.4Å; L253-I381 HydrophobicContact CG-CD1 4.48Å; Q377-I381 WeakPolarHBondContact O-CB 3.28Å; Q377-I381 WeakPolarHBondContact O-CD1 3.37Å; Q377-I381 WeakPolarHBondContact O-CG1 2.98Å; Q377-I381 PolarHBondContact O-N 3.34Å; Q378-I381 PolarHBondContact O-N 3.07Å; I381-G383 VanDerWaalsContact C-N 3.33Å; I381-Y502 PolarHBondContact O-OH 2.8Å; I381-K507 PolarHBondContact O-NZ 2.98Å; I381-V513 HydrophobicContact CG2-CG2 3.55Å; I381-Y535 HydrophobicContact CD1-CG 4.44Å; I381-Y535 HydrophobicContact CG2-CD2 4.02Å
382N95.6Very high96Very high55 Ų5547.7 Ų47.729%0.29424%0.241SC..Hα-helixtrans-78.9-12.9178.4-74.1-51.2000114.2Q378 D379 F380 Y384 K507Q378-N382 VanDerWaalsContact O-CB 3.29Å; Q378-N382 WeakPolarHBondContact O-CB 3.38Å; Q378-N382 PolarHBondContact O-N 3.29Å; Q378-N382 PolarHBondContact O-ND2 3.49Å; D379-N382 CarbonylContact O-C 3.51Å; D379-N382 PolarHBondContact O-N 3.24Å; D379-N382 VanDerWaalsContact O-N 3.16Å; F380-N382 PolarHBondContact O-N 2.89Å; N382-Y384 HydrophobicContact CB-CD2 3.56Å; N382-Y384 HydrophobicContact CB-CE2 3.38Å; N382-Y384 HydrophobicContact CB-CG 4.4Å; N382-K507 PolarHBondContact O-NZ 3.48Å
383G94Very high96Very high28 Ų2846.3 Ų46.329%0.28923%0.231SC..THydrogen-bonded Turntrans87.721.2-18000000113.5D379 F380 I381D379-G383 PolarHBondContact O-N 2.8Å; F380-G383 PolarHBondContact O-N 2.96Å; I381-G383 VanDerWaalsContact C-N 3.33Å
384Y94.2Very high96Very high141 Ų14148.9 Ų48.955%0.55324%0.243SC*.  trans-93.7143.5175.6-53.3-48.2000110.9D379 N382 T386D379-Y384 PolarHBondContact O-N 3.12Å; N382-Y384 HydrophobicContact CB-CD2 3.56Å; N382-Y384 HydrophobicContact CB-CE2 3.38Å; N382-Y384 HydrophobicContact CB-CG 4.4Å; Y384-T386 WeakPolarHBondContact O-CG2 3.26Å; Y384-T386 PolarHBondContact O-N 3.49Å; Y384-T386 VanDerWaalsContact O-N 3.08Å
385E89.7Confident96Very high111 Ų11153 Ų5352%0.51926%0.262SS..SBendtrans51.531.6176.3-55.9-163.1167.100115.6H390 Q413E385-H390 IonicContact OE2-CD2 3.74Å; E385-H390 PolarHBondContact OE2-CD2 3.13Å; E385-H390 IonicContact OE2-NE2 3.91Å; E385-Q413 PolarHBondContact O-NE2 2.93Å; E385-Q413 VanDerWaalsContact O-NE2 3.08Å
386T92Very high96Very high13 Ų1347.5 Ų47.58%0.0824%0.242CC..  trans-87.6-12.9-174.360.40000114.7F380 Y384 C416 N417F380-T386 HydrophobicContact CB-CG2 4.49Å; F380-T386 HydrophobicContact CD1-CG2 4.1Å; Y384-T386 WeakPolarHBondContact O-CG2 3.26Å; Y384-T386 PolarHBondContact O-N 3.49Å; Y384-T386 VanDerWaalsContact O-N 3.08Å; T386-C416 HydrophobicContact CG2-CB 4.42Å; T386-N417 VanDerWaalsContact CB-OD1 3.32Å; T386-N417 WeakPolarHBondContact CB-OD1 3.37Å; T386-N417 VanDerWaalsContact O-CG 3.29Å; T386-N417 PolarHBondContact O-OD1 3.2Å; T386-N417 PolarHBondContact OG1-OD1 2.9Å
387D92.5Very high96Very high67 Ų6747.5 Ų47.536%0.35824%0.241SC..SBendtrans-106.9-0.3-169.381.3-45.2000115.3K421D387-K421 IonicContact OD2-NZ 2.68Å
388K95.6Very high96Very high143 Ų14353.6 Ų53.662%0.62227%0.273SS*.SBendtrans-134.7170.3-177.6-66.2175.5-169.6171.90111.1H390 Q413K388-H390 PolarHBondContact O-N 3.07Å; K388-Q413 PolarHBondContact O-NE2 2.62Å
389A95.2Very high96Very high30 Ų3056.1 Ų56.125%0.24828%0.28CS..  trans-62.9122171.400000109.3E394 L424 Y427 Y428A389-E394 HydrophobicContact CB-CG 4.23Å; A389-E394 WeakPolarHBondContact CB-OE1 3.38Å; A389-L424 HydrophobicContact CB-CD1 3.85Å; A389-Y427 HydrophobicContact CB-CD1 4.09Å; A389-Y427 HydrophobicContact CB-CE1 3.83Å; A389-Y428 WeakPolarHBondContact CA-OH 3.47Å
390H97.3Very high95.9Very high15 Ų1555.4 Ų55.47%0.06929%0.287CS..  trans-79124.5178.7-173.8-83.1000109.9F380 E385 K388 F392 I393 E394 Y428F380-H390 HydrophobicContact CE1-CB 4.36Å; F380-H390 AromaticContact CE1-CD2 3.55Å; F380-H390 HydrophobicContact CZ-CB 3.99Å; F380-H390 AromaticContact CZ-CD2 3.57Å; F380-H390 AromaticContact CZ-CG 3.77Å; E385-H390 IonicContact OE2-CD2 3.74Å; E385-H390 PolarHBondContact OE2-CD2 3.13Å; E385-H390 IonicContact OE2-NE2 3.91Å; K388-H390 PolarHBondContact O-N 3.07Å; H390-F392 VanDerWaalsContact C-N 3.31Å; H390-F392 VanDerWaalsContact CE1-CB 3.49Å; H390-F392 WeakPolarHBondContact CE1-CB 3.38Å; H390-F392 WeakPolarHBondContact ND1-CB 3.34Å; H390-F392 PolarHBondContact ND1-N 3.2Å; H390-F392 PolarHBondContact O-N 3.15Å; H390-I393 HydrophobicContact CB-CB 4.25Å; H390-I393 HydrophobicContact CB-CD1 3.82Å; H390-I393 HydrophobicContact CB-CG1 3.9Å; H390-I393 WeakPolarHBondContact O-CB 3.43Å; H390-I393 PolarHBondContact O-N 3.37Å; H390-E394 PolarHBondContact O-N 3.37Å; H390-E394 VanDerWaalsContact O-N 3.16Å; H390-Y428 PolarHBondContact N-OH 3.33Å
391P96.7Very high95.9Very high80 Ų8056 Ų5652%0.51929%0.292SS..Hα-helixtrans-55.9-40.5-172.7-28.135000114.1I393 E394 E395P391-I393 VanDerWaalsContact C-N 3.33Å; P391-I393 PolarHBondContact O-N 2.93Å; P391-E394 PolarHBondContact O-N 2.94Å; P391-E395 WeakPolarHBondContact O-CB 3.46Å; P391-E395 PolarHBondContact O-N 3.42Å
392F97.7Very high95.8Very high22 Ų2258.8 Ų58.810%0.09631%0.31CS..Hα-helixtrans-67.4-31.3177.3180-112000112.8I373 H390 E395 C396 L409I373-F392 HydrophobicContact CG1-CE1 3.79Å; I373-F392 HydrophobicContact CG1-CZ 4.13Å; H390-F392 VanDerWaalsContact C-N 3.31Å; H390-F392 VanDerWaalsContact CE1-CB 3.49Å; H390-F392 WeakPolarHBondContact CE1-CB 3.38Å; H390-F392 WeakPolarHBondContact ND1-CB 3.34Å; H390-F392 PolarHBondContact ND1-N 3.2Å; H390-F392 PolarHBondContact O-N 3.15Å; F392-E395 PolarHBondContact O-N 3.26Å; F392-C396 VanDerWaalsContact CZ-SG 3.51Å; F392-C396 WeakPolarHBondContact O-CB 3.28Å; F392-C396 PolarHBondContact O-N 3.25Å; F392-C396 PolarHBondContact O-SG 2.99Å; F392-L409 HydrophobicContact CD1-CD1 3.98Å; F392-L409 HydrophobicContact CE1-CD1 3.9Å
393I98.3Very high95.8Very high0 Ų057 Ų570%030%0.301CS..Hα-helixtrans-68.6-44.5176.1-64.2179.7000109.3F380 H390 P391 E395 C396 I397 V406 L409 I410 Y428F380-I393 HydrophobicContact CE2-CD1 4.18Å; F380-I393 HydrophobicContact CZ-CD1 3.93Å; H390-I393 HydrophobicContact CB-CB 4.25Å; H390-I393 HydrophobicContact CB-CD1 3.82Å; H390-I393 HydrophobicContact CB-CG1 3.9Å; H390-I393 WeakPolarHBondContact O-CB 3.43Å; H390-I393 PolarHBondContact O-N 3.37Å; P391-I393 VanDerWaalsContact C-N 3.33Å; P391-I393 PolarHBondContact O-N 2.93Å; I393-E395 VanDerWaalsContact C-N 3.27Å; I393-E395 PolarHBondContact O-N 2.94Å; I393-C396 PolarHBondContact O-N 2.88Å; I393-I397 HydrophobicContact CG2-CD1 3.97Å; I393-I397 VanDerWaalsContact O-CG1 3.32Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.42Å; I393-V406 HydrophobicContact CG2-CG1 4.44Å; I393-L409 HydrophobicContact CD1-CB 3.78Å; I393-L409 HydrophobicContact CG1-CB 3.91Å; I393-L409 HydrophobicContact CG1-CD1 4.05Å; I393-I410 HydrophobicContact CD1-CG1 4.13Å; I393-I410 HydrophobicContact CG2-CD1 4.01Å; I393-I410 HydrophobicContact CG2-CG1 3.78Å; I393-Y428 HydrophobicContact CB-CE1 4.31Å; I393-Y428 HydrophobicContact CG2-CD1 4.3Å; I393-Y428 HydrophobicContact CG2-CE1 3.58Å
394E97.9Very high95.9Very high59 Ų5957.3 Ų57.328%0.27630%0.295SS..Hα-helixtrans-57.5-44.2174.1-62.9176.9134.500110.4A389 H390 P391 I397 L398 Y427A389-E394 HydrophobicContact CB-CG 4.23Å; A389-E394 WeakPolarHBondContact CB-OE1 3.38Å; H390-E394 PolarHBondContact O-N 3.37Å; H390-E394 VanDerWaalsContact O-N 3.16Å; P391-E394 PolarHBondContact O-N 2.94Å; E394-I397 PolarHBondContact O-N 3.42Å; E394-L398 WeakPolarHBondContact O-CB 3.17Å; E394-L398 VanDerWaalsContact O-CG 3.25Å; E394-L398 WeakPolarHBondContact O-CG 3.26Å; E394-L398 PolarHBondContact O-N 3.31Å; E394-Y427 HydrophobicContact CG-CE1 4.12Å; E394-Y427 PolarHBondContact OE1-OH 3.37Å; E394-Y427 VanDerWaalsContact OE1-OH 3.11Å
395E97.7Very high96Very high94 Ų9452.6 Ų52.644%0.43928%0.278SS..Hα-helixtrans-61.6-45.7177.2-150.9-164.1147.500112.8P391 F392 I393 I397 L398 R399P391-E395 WeakPolarHBondContact O-CB 3.46Å; P391-E395 PolarHBondContact O-N 3.42Å; F392-E395 PolarHBondContact O-N 3.26Å; I393-E395 VanDerWaalsContact C-N 3.27Å; I393-E395 PolarHBondContact O-N 2.94Å; E395-I397 VanDerWaalsContact C-N 3.32Å; E395-I397 PolarHBondContact O-N 2.86Å; E395-L398 PolarHBondContact O-N 3.45Å; E395-R399 WeakPolarHBondContact O-CB 3.43Å; E395-R399 WeakPolarHBondContact O-CG 3.44Å; E395-R399 PolarHBondContact O-N 3.48Å; E395-R399 IonicContact OE1-CZ 3.95Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 PolarHBondContact OE1-NE 2.88Å; E395-R399 IonicContact OE1-NH2 2.89Å; E395-R399 PolarHBondContact OE1-NH2 2.95Å; E395-R399 IonicContact OE2-NH2 3.61Å; E395-R399 PolarHBondContact OE2-NH2 3.35Å; E395-R399 VanDerWaalsContact OE2-NH2 3.09Å
396C98.2Very high96.4Very high3 Ų347.3 Ų47.32%0.0225%0.253CS..Hα-helixtrans-59-43.2175.8-73.70000111.9F392 I393 R399 G400 A401 V406F392-C396 VanDerWaalsContact CZ-SG 3.51Å; F392-C396 WeakPolarHBondContact O-CB 3.28Å; F392-C396 PolarHBondContact O-N 3.25Å; F392-C396 PolarHBondContact O-SG 2.99Å; I393-C396 PolarHBondContact O-N 2.88Å; C396-R399 PolarHBondContact O-N 2.93Å; C396-G400 PolarHBondContact O-N 2.93Å; C396-G400 VanDerWaalsContact O-N 3.17Å; C396-A401 HydrophobicContact CB-CB 4.02Å; C396-A401 WeakPolarHBondContact O-CB 3.21Å; C396-A401 PolarHBondContact O-N 3.29Å; C396-V406 HydrophobicContact CB-CG2 3.76Å
397I98.1Very high96.7Very high1 Ų146.7 Ų46.71%0.00525%0.249CC..Hα-helixtrans-62.9-51.4176.7-66.4163.7000109.7I393 E394 E395 R399 G400 V406 Y428 E431 V435 Y436I393-I397 HydrophobicContact CG2-CD1 3.97Å; I393-I397 VanDerWaalsContact O-CG1 3.32Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.42Å; E394-I397 PolarHBondContact O-N 3.42Å; E395-I397 VanDerWaalsContact C-N 3.32Å; E395-I397 PolarHBondContact O-N 2.86Å; I397-R399 VanDerWaalsContact C-N 3.25Å; I397-R399 PolarHBondContact O-N 3.44Å; I397-G400 PolarHBondContact O-N 2.93Å; I397-V406 HydrophobicContact CD1-CG1 3.98Å; I397-V406 HydrophobicContact CG1-CB 4.49Å; I397-V406 HydrophobicContact CG1-CG1 3.55Å; I397-V406 HydrophobicContact CG1-CG2 4.08Å; I397-Y428 HydrophobicContact CD1-CD1 4.21Å; I397-E431 HydrophobicContact CD1-CB 4.2Å; I397-E431 HydrophobicContact CG2-CB 4.09Å; I397-V435 HydrophobicContact CG2-CB 4.05Å; I397-V435 HydrophobicContact CG2-CG1 4.45Å; I397-V435 HydrophobicContact CG2-CG2 3.67Å; I397-V435 WeakPolarHBondContact O-CG1 3.09Å; I397-Y436 HydrophobicContact CG1-CE2 4.43Å; I397-Y436 HydrophobicContact CG2-CE2 4.21Å
398L96.5Very high97Very high133 Ų13344 Ų4470%0.69623%0.234SC*.Hα-helixtrans-61.4-32.5-179.2-68.9171.3000113.2E394 E395 G400E394-L398 WeakPolarHBondContact O-CB 3.17Å; E394-L398 VanDerWaalsContact O-CG 3.25Å; E394-L398 WeakPolarHBondContact O-CG 3.26Å; E394-L398 PolarHBondContact O-N 3.31Å; E395-L398 PolarHBondContact O-N 3.45Å; L398-G400 VanDerWaalsContact C-N 3.3Å
399R96.5Very high97.1Very high114 Ų11437.1 Ų37.143%0.4320%0.204SC..Hα-helixtrans-77.5-11.6175-72.1-167.9-104.1120.8-5.8113.5D369 E395 C396 I397 A401D369-R399 IonicContact OD1-NH1 2.68Å; D369-R399 PolarHBondContact OD1-NH1 2.87Å; D369-R399 VanDerWaalsContact OD1-NH1 3.15Å; E395-R399 WeakPolarHBondContact O-CB 3.43Å; E395-R399 WeakPolarHBondContact O-CG 3.44Å; E395-R399 PolarHBondContact O-N 3.48Å; E395-R399 IonicContact OE1-CZ 3.95Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 PolarHBondContact OE1-NE 2.88Å; E395-R399 IonicContact OE1-NH2 2.89Å; E395-R399 PolarHBondContact OE1-NH2 2.95Å; E395-R399 IonicContact OE2-NH2 3.61Å; E395-R399 PolarHBondContact OE2-NH2 3.35Å; E395-R399 VanDerWaalsContact OE2-NH2 3.09Å; C396-R399 PolarHBondContact O-N 2.93Å; I397-R399 VanDerWaalsContact C-N 3.25Å; I397-R399 PolarHBondContact O-N 3.44Å; R399-A401 VanDerWaalsContact C-N 3.35Å
400G95.8Very high97.3Very high44 Ų4435.7 Ų35.745%0.45419%0.193SC..THydrogen-bonded Turntrans65.736.5-173.700000112.8C396 I397 L398C396-G400 PolarHBondContact O-N 2.93Å; C396-G400 VanDerWaalsContact O-N 3.17Å; I397-G400 PolarHBondContact O-N 2.93Å; L398-G400 VanDerWaalsContact C-N 3.3Å
401A97Very high97.3Very high14 Ų1435 Ų3512%0.11619%0.189CC..  trans-56.9157.5173.500000110.8C396 R399 I403 Y436C396-A401 HydrophobicContact CB-CB 4.02Å; C396-A401 WeakPolarHBondContact O-CB 3.21Å; C396-A401 PolarHBondContact O-N 3.29Å; R399-A401 VanDerWaalsContact C-N 3.35Å; A401-I403 PolarHBondContact O-N 2.88Å; A401-Y436 WeakPolarHBondContact O-CE1 3.45Å; A401-Y436 VanDerWaalsContact O-CZ 3.27Å; A401-Y436 PolarHBondContact O-OH 3.42Å
402P95.6Very high97.4Very high67 Ų6731.2 Ų31.244%0.43516%0.164SC..  trans-47.6130.5178.3-27.734.8000112.5E404 E405 V406P402-E404 PolarHBondContact O-N 3.48Å; P402-E404 VanDerWaalsContact O-N 3.13Å; P402-E405 HydrophobicContact CB-CG 4.21Å; P402-E405 WeakPolarHBondContact O-CB 3.09Å; P402-E405 PolarHBondContact O-N 2.84Å; P402-V406 PolarHBondContact O-N 3.02Å
403I95.8Very high97.5Very high17 Ų1730.1 Ų30.19%0.08716%0.16CC..Hα-helixtrans-56.5-34.7-174-176.773.5000111.6A401 E405 V406 L407 I432 Y436A401-I403 PolarHBondContact O-N 2.88Å; I403-E405 VanDerWaalsContact C-N 3.31Å; I403-E405 PolarHBondContact O-N 3.32Å; I403-V406 PolarHBondContact O-N 3.2Å; I403-L407 HydrophobicContact CD1-CD1 4.25Å; I403-L407 HydrophobicContact CD1-CG 4.12Å; I403-L407 HydrophobicContact CG1-CD1 3.68Å; I403-L407 HydrophobicContact CG1-CG 3.95Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.12Å; I403-I432 HydrophobicContact CD1-CG2 3.89Å; I403-Y436 HydrophobicContact CB-CD1 3.86Å; I403-Y436 HydrophobicContact CB-CE1 3.96Å; I403-Y436 HydrophobicContact CB-CG 4.45Å; I403-Y436 HydrophobicContact CD1-CD1 3.77Å; I403-Y436 HydrophobicContact CD1-CD2 3.56Å; I403-Y436 HydrophobicContact CD1-CE1 4.11Å; I403-Y436 HydrophobicContact CD1-CE2 3.92Å; I403-Y436 HydrophobicContact CD1-CG 3.48Å; I403-Y436 VanDerWaalsContact CD1-CG 3.48Å; I403-Y436 HydrophobicContact CG1-CD1 4.32Å; I403-Y436 HydrophobicContact CG1-CG 4.42Å
404E95.7Very high97.5Very high35 Ų3530.1 Ų30.116%0.16416%0.16CC..Hα-helixtrans-64.4-33.3177.8-64.891.8164.600113.3P402 R408 Q724 I727 S728P402-E404 PolarHBondContact O-N 3.48Å; P402-E404 VanDerWaalsContact O-N 3.13Å; E404-R408 VanDerWaalsContact O-CB 3.31Å; E404-R408 WeakPolarHBondContact O-CB 3.26Å; E404-R408 PolarHBondContact O-N 3.2Å; E404-Q724 VanDerWaalsContact CB-OE1 3.25Å; E404-Q724 VanDerWaalsContact CG-NE2 3.32Å; E404-Q724 PolarHBondContact OE1-NE2 3.13Å; E404-Q724 PolarHBondContact OE2-NE2 2.88Å; E404-I727 HydrophobicContact CB-CB 4.28Å; E404-I727 HydrophobicContact CB-CG2 4.08Å; E404-I727 HydrophobicContact CG-CB 4.19Å; E404-I727 HydrophobicContact CG-CG2 3.84Å; E404-S728 WeakPolarHBondContact CG-OG 3.4Å; E404-S728 PolarHBondContact OE1-OG 3.07Å
405E96.5Very high97.5Very high42 Ų4227.4 Ų27.420%0.19615%0.147CC..Hα-helixtrans-70.4-38.1175.6-65.5-179172.900111.5I373 P402 I403 R408 L409I373-E405 HydrophobicContact CD1-CB 4.37Å; I373-E405 HydrophobicContact CD1-CG 4.3Å; P402-E405 HydrophobicContact CB-CG 4.21Å; P402-E405 WeakPolarHBondContact O-CB 3.09Å; P402-E405 PolarHBondContact O-N 2.84Å; I403-E405 VanDerWaalsContact C-N 3.31Å; I403-E405 PolarHBondContact O-N 3.32Å; E405-R408 WeakPolarHBondContact O-CG 2.99Å; E405-L409 WeakPolarHBondContact O-CG 3.43Å; E405-L409 PolarHBondContact O-N 2.89Å
406V98.2Very high97.5Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-67.9-50.7174.5171.20000110.7I393 C396 I397 P402 I403 R408 L409 I410 Y436I393-V406 HydrophobicContact CG2-CG1 4.44Å; C396-V406 HydrophobicContact CB-CG2 3.76Å; I397-V406 HydrophobicContact CD1-CG1 3.98Å; I397-V406 HydrophobicContact CG1-CB 4.49Å; I397-V406 HydrophobicContact CG1-CG1 3.55Å; I397-V406 HydrophobicContact CG1-CG2 4.08Å; P402-V406 PolarHBondContact O-N 3.02Å; I403-V406 PolarHBondContact O-N 3.2Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 2.64Å; V406-L409 PolarHBondContact O-N 2.84Å; V406-I410 HydrophobicContact CG1-CD1 3.7Å; V406-I410 WeakPolarHBondContact O-CG1 3.37Å; V406-I410 PolarHBondContact O-N 3.27Å; V406-I410 VanDerWaalsContact O-N 3.07Å; V406-Y436 VanDerWaalsContact CG2-OH 3.31Å; V406-Y436 WeakPolarHBondContact CG2-OH 3.33Å
407L98.2Very high97.4Very high1 Ų125 Ų251%0.00514%0.137CC..Hα-helixtrans-63.6-37.4-178.5-70.6178.9000111.9I403 L409 I410 C411 I432 T443 L444 L447 I727I403-L407 HydrophobicContact CD1-CD1 4.25Å; I403-L407 HydrophobicContact CD1-CG 4.12Å; I403-L407 HydrophobicContact CG1-CD1 3.68Å; I403-L407 HydrophobicContact CG1-CG 3.95Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.12Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.13Å; L407-I410 PolarHBondContact O-N 2.89Å; L407-C411 VanDerWaalsContact O-CB 3.31Å; L407-C411 WeakPolarHBondContact O-CB 3.38Å; L407-C411 PolarHBondContact O-N 3.46Å; L407-C411 PolarHBondContact O-SG 3.16Å; L407-I432 HydrophobicContact CD2-CD1 3.72Å; L407-T443 HydrophobicContact CD1-CG2 3.65Å; L407-L444 HydrophobicContact CD2-CD2 4.34Å; L407-L447 HydrophobicContact CD1-CD1 4.2Å; L407-L447 HydrophobicContact CD2-CD1 3.77Å; L407-L447 HydrophobicContact CG-CD1 4.4Å; L407-I727 HydrophobicContact CB-CG2 3.89Å; L407-I727 HydrophobicContact CD1-CG2 3.93Å
408R97.8Very high97.3Very high9 Ų925.2 Ų25.23%0.03414%0.14CC..Hα-helixtrans-59.4-45.5175.890.5-166.2-74.1173.71.5110.8L252 L253 N254 E264 E404 E405 V406 C411 I412 A723 I727L252-R408 HydrophobicContact CD2-CB 4.45Å; L252-R408 PolarHBondContact O-NE 2.68Å; L252-R408 PolarHBondContact O-NH2 3.41Å; L253-R408 PolarHBondContact O-NH2 3.1Å; N254-R408 PolarHBondContact OD1-NH1 2.95Å; N254-R408 PolarHBondContact OD1-NH2 2.93Å; E264-R408 IonicContact OE2-NH1 2.67Å; E264-R408 IonicContact OE2-NH2 3.12Å; E404-R408 VanDerWaalsContact O-CB 3.31Å; E404-R408 WeakPolarHBondContact O-CB 3.26Å; E404-R408 PolarHBondContact O-N 3.2Å; E405-R408 WeakPolarHBondContact O-CG 2.99Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 2.64Å; R408-C411 PolarHBondContact O-N 3.07Å; R408-I412 WeakPolarHBondContact O-CD1 3.47Å; R408-I412 WeakPolarHBondContact O-CG1 3.44Å; R408-I412 PolarHBondContact O-N 2.79Å; R408-A723 HydrophobicContact CB-CB 4.36Å; R408-A723 VanDerWaalsContact NE-CB 3.34Å; R408-I727 HydrophobicContact CB-CG1 4.33Å
409L98.6Very high97.4Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-66.4-44.7-177.6-70.5176.7000111.2I373 A376 Q377 F380 F392 I393 E405 V406 L407 C411 I412 Q413I373-L409 HydrophobicContact CG1-CD1 4.41Å; I373-L409 HydrophobicContact CG2-CD2 4.25Å; A376-L409 HydrophobicContact CB-CD2 4Å; Q377-L409 HydrophobicContact CG-CD2 4.19Å; F380-L409 HydrophobicContact CE2-CB 4.46Å; F380-L409 HydrophobicContact CE2-CD2 4.42Å; F392-L409 HydrophobicContact CD1-CD1 3.98Å; F392-L409 HydrophobicContact CE1-CD1 3.9Å; I393-L409 HydrophobicContact CD1-CB 3.78Å; I393-L409 HydrophobicContact CG1-CB 3.91Å; I393-L409 HydrophobicContact CG1-CD1 4.05Å; E405-L409 WeakPolarHBondContact O-CG 3.43Å; E405-L409 PolarHBondContact O-N 2.89Å; V406-L409 PolarHBondContact O-N 2.84Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.13Å; L409-C411 VanDerWaalsContact C-N 3.33Å; L409-C411 PolarHBondContact O-N 2.74Å; L409-I412 PolarHBondContact O-N 3.47Å; L409-Q413 WeakPolarHBondContact O-CB 3.49Å; L409-Q413 PolarHBondContact O-N 2.83Å
410I98.6Very high97.5Very high0 Ų013.5 Ų13.50%09%0.086CC..Hα-helixtrans-62.3-41.4177-67.3170.4000111I393 V406 L407 Q413 S414 L420 Y428 I432 L453I393-I410 HydrophobicContact CD1-CG1 4.13Å; I393-I410 HydrophobicContact CG2-CD1 4.01Å; I393-I410 HydrophobicContact CG2-CG1 3.78Å; V406-I410 HydrophobicContact CG1-CD1 3.7Å; V406-I410 WeakPolarHBondContact O-CG1 3.37Å; V406-I410 PolarHBondContact O-N 3.27Å; V406-I410 VanDerWaalsContact O-N 3.07Å; L407-I410 PolarHBondContact O-N 2.89Å; I410-Q413 PolarHBondContact O-N 3.13Å; I410-S414 VanDerWaalsContact O-CB 3.3Å; I410-S414 WeakPolarHBondContact O-CB 3.48Å; I410-S414 PolarHBondContact O-N 3.4Å; I410-L420 HydrophobicContact CG2-CD1 4.37Å; I410-Y428 HydrophobicContact CD1-CD1 3.9Å; I410-Y428 HydrophobicContact CD1-CD2 4.36Å; I410-Y428 HydrophobicContact CD1-CE1 4.38Å; I410-Y428 HydrophobicContact CD1-CG 3.9Å; I410-Y428 HydrophobicContact CG1-CD1 4.35Å; I410-Y428 HydrophobicContact CG1-CD2 4.27Å; I410-Y428 HydrophobicContact CG1-CE1 4.42Å; I410-Y428 HydrophobicContact CG1-CE2 4.32Å; I410-Y428 HydrophobicContact CG1-CG 4.28Å; I410-Y428 HydrophobicContact CG2-CD2 4.15Å; I410-I432 HydrophobicContact CD1-CD1 3.79Å; I410-L453 HydrophobicContact CG2-CD1 3.63Å; I410-L453 HydrophobicContact CG2-CD2 4.32Å
411C98.7Very high97.5Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-66.7-39.6176.9-73.70000112.5L252 L407 R408 L409 S414 F415 L452L252-C411 HydrophobicContact CD1-CB 3.75Å; L252-C411 HydrophobicContact CD2-CB 4.49Å; L407-C411 VanDerWaalsContact O-CB 3.31Å; L407-C411 WeakPolarHBondContact O-CB 3.38Å; L407-C411 PolarHBondContact O-N 3.46Å; L407-C411 PolarHBondContact O-SG 3.16Å; R408-C411 PolarHBondContact O-N 3.07Å; L409-C411 VanDerWaalsContact C-N 3.33Å; L409-C411 PolarHBondContact O-N 2.74Å; C411-S414 PolarHBondContact O-N 3.12Å; C411-F415 WeakPolarHBondContact O-CB 3.42Å; C411-F415 PolarHBondContact O-N 2.84Å; C411-L452 HydrophobicContact CB-CB 4.27Å
412I98.6Very high97.4Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-64.4-46174.6-66.3164.6000110.3L249 L252 L253 Q377 F380 R408 L409 S414 F415 C416L249-I412 HydrophobicContact CD1-CB 4.39Å; L249-I412 HydrophobicContact CD1-CG1 4.1Å; L249-I412 HydrophobicContact CD1-CG2 4Å; L252-I412 HydrophobicContact CB-CD1 3.78Å; L252-I412 HydrophobicContact CB-CG1 3.53Å; L252-I412 HydrophobicContact CD1-CG1 3.96Å; L252-I412 HydrophobicContact CG-CG1 4.38Å; L253-I412 HydrophobicContact CD2-CD1 3.89Å; L253-I412 HydrophobicContact CD2-CG1 4.28Å; Q377-I412 HydrophobicContact CG-CD1 3.74Å; F380-I412 HydrophobicContact CB-CG2 3.75Å; F380-I412 HydrophobicContact CD2-CB 4.27Å; F380-I412 HydrophobicContact CD2-CG2 3.86Å; F380-I412 HydrophobicContact CG-CG2 4.3Å; R408-I412 WeakPolarHBondContact O-CD1 3.47Å; R408-I412 WeakPolarHBondContact O-CG1 3.44Å; R408-I412 PolarHBondContact O-N 2.79Å; L409-I412 PolarHBondContact O-N 3.47Å; I412-S414 PolarHBondContact O-N 2.67Å; I412-F415 PolarHBondContact O-N 3.09Å; I412-C416 WeakPolarHBondContact O-CB 3.33Å; I412-C416 PolarHBondContact O-N 3.15Å; I412-C416 PolarHBondContact O-SG 3.1Å
413Q98.5Very high97.5Very high0 Ų026.9 Ų26.90%012%0.117CC..Hα-helixtrans-58.3-48.7176.6-168.7-171.629.100110.7F380 E385 K388 L409 I410 F415 C416 N417 L420 Y428F380-Q413 HydrophobicContact CD1-CB 4.23Å; F380-Q413 HydrophobicContact CD1-CG 4Å; F380-Q413 HydrophobicContact CD2-CB 4.03Å; F380-Q413 HydrophobicContact CE1-CB 4.12Å; F380-Q413 HydrophobicContact CE1-CG 3.76Å; F380-Q413 HydrophobicContact CE2-CB 3.91Å; F380-Q413 HydrophobicContact CE2-CG 4.45Å; F380-Q413 HydrophobicContact CG-CB 4.2Å; F380-Q413 HydrophobicContact CG-CG 4.46Å; F380-Q413 HydrophobicContact CZ-CB 3.96Å; F380-Q413 HydrophobicContact CZ-CG 4.01Å; E385-Q413 PolarHBondContact O-NE2 2.93Å; E385-Q413 VanDerWaalsContact O-NE2 3.08Å; K388-Q413 PolarHBondContact O-NE2 2.62Å; L409-Q413 WeakPolarHBondContact O-CB 3.49Å; L409-Q413 PolarHBondContact O-N 2.83Å; I410-Q413 PolarHBondContact O-N 3.13Å; Q413-F415 PolarHBondContact O-N 3.39Å; Q413-C416 PolarHBondContact O-N 2.97Å; Q413-N417 VanDerWaalsContact O-CB 3.26Å; Q413-N417 WeakPolarHBondContact O-CB 3.38Å; Q413-N417 PolarHBondContact O-N 2.99Å; Q413-L420 HydrophobicContact CG-CD2 4.25Å; Q413-Y428 VanDerWaalsContact OE1-CE2 3.28Å; Q413-Y428 PolarHBondContact OE1-OH 3.45Å
414S98.4Very high97.6Very high0 Ų026.8 Ų26.80%012%0.117CC..Hα-helixtrans-59.7-47.6177.8-167.40000111.7I410 C411 I412 N417 G418 G419 L452I410-S414 VanDerWaalsContact O-CB 3.3Å; I410-S414 WeakPolarHBondContact O-CB 3.48Å; I410-S414 PolarHBondContact O-N 3.4Å; C411-S414 PolarHBondContact O-N 3.12Å; I412-S414 PolarHBondContact O-N 2.67Å; S414-N417 PolarHBondContact O-N 3.24Å; S414-G418 PolarHBondContact O-N 3.07Å; S414-G418 VanDerWaalsContact O-N 3.16Å; S414-G419 PolarHBondContact O-N 3.25Å; S414-L452 WeakPolarHBondContact CB-O 3.43Å
415F98.2Very high97.7Very high2 Ų225.2 Ų25.21%0.00911%0.11CC..Hα-helixtrans-62.7-47.4179.4-178.1-87.4000112.2P248 L249 C411 I412 Q413 N417 G418 I498 S499 Y502 I538P248-F415 HydrophobicContact CG-CD2 3.92Å; P248-F415 HydrophobicContact CG-CE2 3.48Å; P248-F415 VanDerWaalsContact CG-CE2 3.48Å; P248-F415 HydrophobicContact CG-CZ 4.35Å; L249-F415 HydrophobicContact CB-CD1 3.8Å; L249-F415 HydrophobicContact CB-CE1 3.62Å; L249-F415 HydrophobicContact CB-CG 4.33Å; L249-F415 HydrophobicContact CB-CZ 4.02Å; L249-F415 HydrophobicContact CD1-CD1 3.97Å; L249-F415 HydrophobicContact CD2-CD1 3.84Å; L249-F415 HydrophobicContact CD2-CE1 3.7Å; L249-F415 HydrophobicContact CG-CD1 4.08Å; L249-F415 HydrophobicContact CG-CE1 4.14Å; C411-F415 WeakPolarHBondContact O-CB 3.42Å; C411-F415 PolarHBondContact O-N 2.84Å; I412-F415 PolarHBondContact O-N 3.09Å; Q413-F415 PolarHBondContact O-N 3.39Å; F415-N417 VanDerWaalsContact C-N 3.28Å; F415-N417 PolarHBondContact O-N 3.05Å; F415-G418 PolarHBondContact O-N 2.94Å; F415-I498 HydrophobicContact CE2-CG2 4.12Å; F415-I498 HydrophobicContact CZ-CG2 3.87Å; F415-S499 WeakPolarHBondContact CA-OG 3.41Å; F415-S499 PolarHBondContact O-OG 3.17Å; F415-Y502 HydrophobicContact CD1-CG 4.46Å; F415-Y502 AromaticContact CE1-CD2 3.67Å; F415-Y502 HydrophobicContact CE1-CD2 3.67Å; F415-Y502 HydrophobicContact CE1-CE2 4.27Å; F415-Y502 AromaticContact CE1-CG 3.87Å; F415-Y502 HydrophobicContact CE1-CG 3.87Å; F415-Y502 HydrophobicContact CZ-CD2 4.43Å; F415-I538 HydrophobicContact CZ-CD1 4.38Å
416C97.5Very high97.8Very high2 Ų226 Ų261%0.01412%0.115CC..Hα-helixtrans-68.4-30.5-178.6-62.60000111.7F380 T386 I412 Q413 Y502 N503F380-C416 HydrophobicContact CB-CB 4.32Å; F380-C416 WeakPolarHBondContact O-CB 3.4Å; F380-C416 PolarHBondContact O-SG 3.25Å; T386-C416 HydrophobicContact CG2-CB 4.42Å; I412-C416 WeakPolarHBondContact O-CB 3.33Å; I412-C416 PolarHBondContact O-N 3.15Å; I412-C416 PolarHBondContact O-SG 3.1Å; Q413-C416 PolarHBondContact O-N 2.97Å; C416-Y502 HydrophobicContact CB-CD1 4.43Å; C416-Y502 HydrophobicContact CB-CE1 4.38Å; C416-N503 PolarHBondContact O-ND2 2.81Å
417N96.9Very high97.8Very high45 Ų4529.6 Ų29.624%0.24113%0.129CC..Hα-helixtrans-80.4-11.8177.5-157.259.3000114.4T386 Q413 S414 F415 G419 L420T386-N417 VanDerWaalsContact CB-OD1 3.32Å; T386-N417 WeakPolarHBondContact CB-OD1 3.37Å; T386-N417 VanDerWaalsContact O-CG 3.29Å; T386-N417 PolarHBondContact O-OD1 3.2Å; T386-N417 PolarHBondContact OG1-OD1 2.9Å; Q413-N417 VanDerWaalsContact O-CB 3.26Å; Q413-N417 WeakPolarHBondContact O-CB 3.38Å; Q413-N417 PolarHBondContact O-N 2.99Å; S414-N417 PolarHBondContact O-N 3.24Å; F415-N417 VanDerWaalsContact C-N 3.28Å; F415-N417 PolarHBondContact O-N 3.05Å; N417-G419 WeakPolarHBondContact CB-O 3.41Å; N417-G419 PolarHBondContact ND2-O 3.48Å; N417-L420 HydrophobicContact CB-CD2 4.49Å
418G96.8Very high97.8Very high5 Ų529.5 Ų29.55%0.05213%0.129CC..THydrogen-bonded Turntrans75.328.9-169.300000113.7S414 F415 Y454 S499S414-G418 PolarHBondContact O-N 3.07Å; S414-G418 VanDerWaalsContact O-N 3.16Å; F415-G418 PolarHBondContact O-N 2.94Å; G418-Y454 WeakPolarHBondContact O-CE2 3.26Å; G418-Y454 PolarHBondContact O-OH 2.91Å; G418-Y454 VanDerWaalsContact O-OH 3.07Å; G418-S499 WeakPolarHBondContact CA-OG 3.46Å
419G97.5Very high97.8Very high0 Ų031.3 Ų31.30%014%0.135CC..SBendtrans105.8162.7-174.300000111.8S414 N417 Y454S414-G419 PolarHBondContact O-N 3.25Å; N417-G419 WeakPolarHBondContact CB-O 3.41Å; N417-G419 PolarHBondContact ND2-O 3.48Å; G419-Y454 WeakPolarHBondContact CA-O 3.31Å; G419-Y454 PolarHBondContact N-OH 3.34Å
420L97.6Very high97.7Very high0 Ų036 Ų360%016%0.161CC..BIsolated β-bridgetrans-102.3147.8178.8-58.2-178.8000110.6I410 Q413 N417 L424 L425 Y428 L453 Y454 E455 S456I410-L420 HydrophobicContact CG2-CD1 4.37Å; Q413-L420 HydrophobicContact CG-CD2 4.25Å; N417-L420 HydrophobicContact CB-CD2 4.49Å; L420-L424 HydrophobicContact CB-CD2 4.45Å; L420-L424 HydrophobicContact CD1-CD2 4.48Å; L420-L424 HydrophobicContact CD1-CG 4.42Å; L420-L424 HydrophobicContact CD2-CD2 4.06Å; L420-L425 HydrophobicContact CB-CB 4.31Å; L420-Y428 HydrophobicContact CD1-CD2 3.93Å; L420-Y428 HydrophobicContact CD1-CE2 4.18Å; L420-L453 HydrophobicContact CD1-CD1 3.89Å; L420-Y454 PolarHBondContact N-O 2.79Å; L420-E455 CarbonylContact O-C 3.5Å; L420-E455 VanDerWaalsContact O-CA 3.27Å; L420-E455 WeakPolarHBondContact O-CA 3.42Å; L420-S456 PolarHBondContact O-N 3.05Å
421K96.5Very high97.7Very high116 Ų11637.9 Ų37.950%0.50417%0.17SC..  trans-62.2144.8171.5-68172.3-175.9157.50109.4D387 R423 L424 L425D387-K421 IonicContact OD2-NZ 2.68Å; K421-R423 VanDerWaalsContact C-N 3.25Å; K421-R423 PolarHBondContact O-N 3.08Å; K421-R423 VanDerWaalsContact O-N 3.08Å; K421-L424 PolarHBondContact O-N 3.29Å; K421-L425 PolarHBondContact O-N 2.91Å
422Q95.8Very high97.6Very high66 Ų6638 Ų3831%0.30817%0.17SC..Hα-helixtrans-46.7-46.5-176.9-170.456.934.900113.6L424 L425 D426 E455Q422-L424 VanDerWaalsContact C-N 3.33Å; Q422-L424 PolarHBondContact O-N 2.78Å; Q422-L425 WeakPolarHBondContact O-CB 3.31Å; Q422-L425 PolarHBondContact O-N 2.69Å; Q422-D426 PolarHBondContact NE2-OD1 2.96Å; Q422-D426 PolarHBondContact NE2-OD2 3.08Å; Q422-D426 WeakPolarHBondContact O-CB 3.45Å; Q422-D426 VanDerWaalsContact O-CG 3.32Å; Q422-D426 PolarHBondContact O-N 2.94Å; Q422-E455 HydrophobicContact CB-CG 4.2Å; Q422-E455 PolarHBondContact OE1-OE2 3.31Å
423R97.1Very high97.5Very high224 Ų22439.6 Ų39.685%0.84518%0.178SC*.Hα-helixtrans-58.8-41.4179-176.8177178.4171.20.3113.4K421 Y427K421-R423 VanDerWaalsContact C-N 3.25Å; K421-R423 PolarHBondContact O-N 3.08Å; K421-R423 VanDerWaalsContact O-N 3.08Å; R423-Y427 WeakPolarHBondContact O-CB 3.28Å; R423-Y427 PolarHBondContact O-N 3.04Å; R423-Y427 VanDerWaalsContact O-N 3.11Å
424L97.9Very high97.3Very high16 Ų1646.9 Ų46.98%0.08421%0.212CC..Hα-helixtrans-74.4-39.4179.3177.858.5000111A389 L420 K421 Q422 Y427 Y428A389-L424 HydrophobicContact CB-CD1 3.85Å; L420-L424 HydrophobicContact CB-CD2 4.45Å; L420-L424 HydrophobicContact CD1-CD2 4.48Å; L420-L424 HydrophobicContact CD1-CG 4.42Å; L420-L424 HydrophobicContact CD2-CD2 4.06Å; K421-L424 PolarHBondContact O-N 3.29Å; Q422-L424 VanDerWaalsContact C-N 3.33Å; Q422-L424 PolarHBondContact O-N 2.78Å; L424-Y427 HydrophobicContact CD1-CD1 4.31Å; L424-Y427 WeakPolarHBondContact O-CB 3.36Å; L424-Y427 PolarHBondContact O-N 3.02Å; L424-Y428 HydrophobicContact CD1-CD2 3.97Å; L424-Y428 HydrophobicContact CD1-CE2 3.57Å; L424-Y428 HydrophobicContact CD2-CE2 4.31Å; L424-Y428 HydrophobicContact CG-CD2 4.09Å; L424-Y428 HydrophobicContact CG-CE2 3.85Å; L424-Y428 PolarHBondContact O-N 3.29Å
425L97.7Very high97.2Very high2 Ų249.9 Ų49.91%0.0123%0.231CC..Hα-helixtrans-59.5-48.2175.5-178.362.9000111.4L420 K421 Q422 Y427 Y428 R429 L453 E455L420-L425 HydrophobicContact CB-CB 4.31Å; K421-L425 PolarHBondContact O-N 2.91Å; Q422-L425 WeakPolarHBondContact O-CB 3.31Å; Q422-L425 PolarHBondContact O-N 2.69Å; L425-Y427 VanDerWaalsContact C-N 3.34Å; L425-Y428 PolarHBondContact O-N 3.33Å; L425-R429 WeakPolarHBondContact O-CB 3.32Å; L425-R429 VanDerWaalsContact O-CG 3.24Å; L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 2.82Å; L425-L453 HydrophobicContact CD1-CD1 3.42Å; L425-L453 VanDerWaalsContact CD1-CD1 3.42Å; L425-L453 HydrophobicContact CD1-CD2 4.3Å; L425-L453 HydrophobicContact CD1-CG 3.62Å; L425-E455 HydrophobicContact CD2-CB 4.1Å
426D98Very high97.1Very high58 Ų5851.5 Ų51.531%0.3124%0.237SC..Hα-helixtrans-65.8-37.5177.7-68.4-25.7000111.9Q422 R429 N430Q422-D426 PolarHBondContact NE2-OD1 2.96Å; Q422-D426 PolarHBondContact NE2-OD2 3.08Å; Q422-D426 WeakPolarHBondContact O-CB 3.45Å; Q422-D426 VanDerWaalsContact O-CG 3.32Å; Q422-D426 PolarHBondContact O-N 2.94Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 IonicContact OD1-NH1 3.8Å; D426-N430 WeakPolarHBondContact O-CB 3.26Å; D426-N430 PolarHBondContact O-N 3.49Å; D426-N430 PolarHBondContact O-ND2 3Å; D426-N430 VanDerWaalsContact O-ND2 3.13Å
427Y98.3Very high96.8Very high75 Ų7552.3 Ų52.329%0.29425%0.245SC..Hα-helixtrans-56.7-56.5173.3174.4-106.7000111.2A389 E394 R423 L424 L425 R429 N430 E431A389-Y427 HydrophobicContact CB-CD1 4.09Å; A389-Y427 HydrophobicContact CB-CE1 3.83Å; E394-Y427 HydrophobicContact CG-CE1 4.12Å; E394-Y427 PolarHBondContact OE1-OH 3.37Å; E394-Y427 VanDerWaalsContact OE1-OH 3.11Å; R423-Y427 WeakPolarHBondContact O-CB 3.28Å; R423-Y427 PolarHBondContact O-N 3.04Å; R423-Y427 VanDerWaalsContact O-N 3.11Å; L424-Y427 HydrophobicContact CD1-CD1 4.31Å; L424-Y427 WeakPolarHBondContact O-CB 3.36Å; L424-Y427 PolarHBondContact O-N 3.02Å; L425-Y427 VanDerWaalsContact C-N 3.34Å; Y427-R429 VanDerWaalsContact C-N 3.33Å; Y427-R429 PolarHBondContact O-N 3.33Å; Y427-N430 PolarHBondContact O-N 3.37Å; Y427-E431 HydrophobicContact CD2-CG 4.11Å; Y427-E431 HydrophobicContact CE1-CG 4.12Å; Y427-E431 HydrophobicContact CE2-CG 3.6Å; Y427-E431 WeakPolarHBondContact O-CG 3.31Å; Y427-E431 PolarHBondContact O-N 2.98Å
428Y98.4Very high96.5Very high0 Ų058.1 Ų58.10%027%0.269CS..Hα-helixtrans-61.1-39.4179.3-76-43.6000113.4A389 H390 I393 I397 I410 Q413 L420 L424 L425 N430 E431 I432A389-Y428 WeakPolarHBondContact CA-OH 3.47Å; H390-Y428 PolarHBondContact N-OH 3.33Å; I393-Y428 HydrophobicContact CB-CE1 4.31Å; I393-Y428 HydrophobicContact CG2-CD1 4.3Å; I393-Y428 HydrophobicContact CG2-CE1 3.58Å; I397-Y428 HydrophobicContact CD1-CD1 4.21Å; I410-Y428 HydrophobicContact CD1-CD1 3.9Å; I410-Y428 HydrophobicContact CD1-CD2 4.36Å; I410-Y428 HydrophobicContact CD1-CE1 4.38Å; I410-Y428 HydrophobicContact CD1-CG 3.9Å; I410-Y428 HydrophobicContact CG1-CD1 4.35Å; I410-Y428 HydrophobicContact CG1-CD2 4.27Å; I410-Y428 HydrophobicContact CG1-CE1 4.42Å; I410-Y428 HydrophobicContact CG1-CE2 4.32Å; I410-Y428 HydrophobicContact CG1-CG 4.28Å; I410-Y428 HydrophobicContact CG2-CD2 4.15Å; Q413-Y428 VanDerWaalsContact OE1-CE2 3.28Å; Q413-Y428 PolarHBondContact OE1-OH 3.45Å; L420-Y428 HydrophobicContact CD1-CD2 3.93Å; L420-Y428 HydrophobicContact CD1-CE2 4.18Å; L424-Y428 HydrophobicContact CD1-CD2 3.97Å; L424-Y428 HydrophobicContact CD1-CE2 3.57Å; L424-Y428 HydrophobicContact CD2-CE2 4.31Å; L424-Y428 HydrophobicContact CG-CD2 4.09Å; L424-Y428 HydrophobicContact CG-CE2 3.85Å; L424-Y428 PolarHBondContact O-N 3.29Å; L425-Y428 PolarHBondContact O-N 3.33Å; Y428-N430 VanDerWaalsContact C-N 3.34Å; Y428-N430 PolarHBondContact O-N 2.98Å; Y428-E431 PolarHBondContact O-N 2.97Å; Y428-I432 WeakPolarHBondContact O-CB 3.33Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.43Å; Y428-I432 PolarHBondContact O-N 2.94Å
429R98Very high96.1Very high46 Ų4662 Ų6217%0.17429%0.286CS..Hα-helixtrans-59.4-45.7176-74.4169.8173.7177.6-7.8111.6L425 D426 Y427 I433 L444 E448L425-R429 WeakPolarHBondContact O-CB 3.32Å; L425-R429 VanDerWaalsContact O-CG 3.24Å; L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 2.82Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 IonicContact OD1-NH1 3.8Å; Y427-R429 VanDerWaalsContact C-N 3.33Å; Y427-R429 PolarHBondContact O-N 3.33Å; R429-I433 WeakPolarHBondContact O-CB 3.46Å; R429-I433 WeakPolarHBondContact O-CD1 3.46Å; R429-I433 VanDerWaalsContact O-CG1 3.25Å; R429-I433 WeakPolarHBondContact O-CG1 3.17Å; R429-I433 PolarHBondContact O-N 3.02Å; R429-L444 HydrophobicContact CB-CD1 4.32Å; R429-L444 HydrophobicContact CG-CD1 4.2Å; R429-L444 HydrophobicContact CG-CD2 4.46Å; R429-E448 IonicContact CZ-OE2 3.36Å; R429-E448 IonicContact NH2-OE2 3.73Å; R429-E448 PolarHBondContact NH2-OE2 3.3Å
430N97.8Very high95.9Very high100 Ų10063.3 Ų63.354%0.53529%0.291SS..Hα-helixtrans-65.3-47.2-179.7-68.9-23.1000111.4D426 Y427 Y428 I432 I433 Q434D426-N430 WeakPolarHBondContact O-CB 3.26Å; D426-N430 PolarHBondContact O-N 3.49Å; D426-N430 PolarHBondContact O-ND2 3Å; D426-N430 VanDerWaalsContact O-ND2 3.13Å; Y427-N430 PolarHBondContact O-N 3.37Å; Y428-N430 VanDerWaalsContact C-N 3.34Å; Y428-N430 PolarHBondContact O-N 2.98Å; N430-I432 VanDerWaalsContact C-N 3.35Å; N430-I432 PolarHBondContact O-N 3.41Å; N430-I433 PolarHBondContact O-N 2.9Å; N430-Q434 VanDerWaalsContact O-CB 3.25Å; N430-Q434 WeakPolarHBondContact O-CB 3.47Å; N430-Q434 PolarHBondContact O-N 3.07Å
431E97.8Very high95.7Very high39 Ų3967.7 Ų67.718%0.18231%0.314CS..Hα-helixtrans-61.3-43178.6-66.5-58.7134.500111.8I397 Y427 Y428 Q434 V435I397-E431 HydrophobicContact CD1-CB 4.2Å; I397-E431 HydrophobicContact CG2-CB 4.09Å; Y427-E431 HydrophobicContact CD2-CG 4.11Å; Y427-E431 HydrophobicContact CE1-CG 4.12Å; Y427-E431 HydrophobicContact CE2-CG 3.6Å; Y427-E431 WeakPolarHBondContact O-CG 3.31Å; Y427-E431 PolarHBondContact O-N 2.98Å; Y428-E431 PolarHBondContact O-N 2.97Å; E431-Q434 PolarHBondContact O-N 3.24Å; E431-V435 WeakPolarHBondContact O-CG2 3.33Å; E431-V435 PolarHBondContact O-N 3.13Å
432I96.9Very high95.5Very high1 Ų166.6 Ų66.61%0.00531%0.309CS..Hα-helixtrans-61.9-49.4177.4-72.1165000111I403 L407 I410 Y428 N430 Q434 V435 Y436 H440 L444I403-I432 HydrophobicContact CD1-CG2 3.89Å; L407-I432 HydrophobicContact CD2-CD1 3.72Å; I410-I432 HydrophobicContact CD1-CD1 3.79Å; Y428-I432 WeakPolarHBondContact O-CB 3.33Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.43Å; Y428-I432 PolarHBondContact O-N 2.94Å; N430-I432 VanDerWaalsContact C-N 3.35Å; N430-I432 PolarHBondContact O-N 3.41Å; I432-Q434 VanDerWaalsContact C-N 3.3Å; I432-Q434 PolarHBondContact O-N 2.97Å; I432-V435 PolarHBondContact O-N 2.74Å; I432-Y436 HydrophobicContact CG2-CD2 4.42Å; I432-Y436 WeakPolarHBondContact O-CB 3.46Å; I432-Y436 PolarHBondContact O-N 2.83Å; I432-H440 HydrophobicContact CG2-CB 4.06Å; I432-L444 HydrophobicContact CD1-CD2 3.86Å; I432-L444 HydrophobicContact CG2-CD1 4.19Å; I432-L444 HydrophobicContact CG2-CD2 4.48Å
433I95.6Very high95.5Very high35 Ų3563.6 Ų63.618%0.17930%0.295CS..Hα-helixtrans-63.5-40.1-178.9-69.5167.4000110.7R429 N430 G437 F438 L444R429-I433 WeakPolarHBondContact O-CB 3.46Å; R429-I433 WeakPolarHBondContact O-CD1 3.46Å; R429-I433 VanDerWaalsContact O-CG1 3.25Å; R429-I433 WeakPolarHBondContact O-CG1 3.17Å; R429-I433 PolarHBondContact O-N 3.02Å; N430-I433 PolarHBondContact O-N 2.9Å; I433-G437 CarbonylContact O-C 3.4Å; I433-G437 WeakPolarHBondContact O-CA 3.44Å; I433-G437 PolarHBondContact O-N 3.31Å; I433-G437 VanDerWaalsContact O-N 3.11Å; I433-F438 HydrophobicContact CG2-CD1 3.54Å; I433-F438 HydrophobicContact CG2-CE1 3.7Å; I433-F438 HydrophobicContact CG2-CG 4.28Å; I433-L444 HydrophobicContact CD1-CD1 4.14Å; I433-L444 HydrophobicContact CG1-CD1 3.98Å
434Q95.5Very high95.5Very high153 Ų15353.3 Ų53.372%0.71526%0.257SS*.Hα-helixtrans-68.8-39.4-177.7-177.4172.3-19.200112.8N430 E431 I432N430-Q434 VanDerWaalsContact O-CB 3.25Å; N430-Q434 WeakPolarHBondContact O-CB 3.47Å; N430-Q434 PolarHBondContact O-N 3.07Å; E431-Q434 PolarHBondContact O-N 3.24Å; I432-Q434 VanDerWaalsContact C-N 3.3Å; I432-Q434 PolarHBondContact O-N 2.97Å
435V96.2Very high95.3Very high63 Ų6355 Ų5538%0.38227%0.266SS..Hα-helixtrans-88.4-43.1-177.1175.70000112.7I397 E431 I432I397-V435 HydrophobicContact CG2-CB 4.05Å; I397-V435 HydrophobicContact CG2-CG1 4.45Å; I397-V435 HydrophobicContact CG2-CG2 3.67Å; I397-V435 WeakPolarHBondContact O-CG1 3.09Å; E431-V435 WeakPolarHBondContact O-CG2 3.33Å; E431-V435 PolarHBondContact O-N 3.13Å; I432-V435 PolarHBondContact O-N 2.74Å
436Y94.9Very high95.2Very high36 Ų3655 Ų5514%0.14127%0.266CS..Hα-helixtrans-99.6-14-171.2-63.4-88.2000114.1I397 A401 I403 V406 I432 H440I397-Y436 HydrophobicContact CG1-CE2 4.43Å; I397-Y436 HydrophobicContact CG2-CE2 4.21Å; A401-Y436 WeakPolarHBondContact O-CE1 3.45Å; A401-Y436 VanDerWaalsContact O-CZ 3.27Å; A401-Y436 PolarHBondContact O-OH 3.42Å; I403-Y436 HydrophobicContact CB-CD1 3.86Å; I403-Y436 HydrophobicContact CB-CE1 3.96Å; I403-Y436 HydrophobicContact CB-CG 4.45Å; I403-Y436 HydrophobicContact CD1-CD1 3.77Å; I403-Y436 HydrophobicContact CD1-CD2 3.56Å; I403-Y436 HydrophobicContact CD1-CE1 4.11Å; I403-Y436 HydrophobicContact CD1-CE2 3.92Å; I403-Y436 HydrophobicContact CD1-CG 3.48Å; I403-Y436 VanDerWaalsContact CD1-CG 3.48Å; I403-Y436 HydrophobicContact CG1-CD1 4.32Å; I403-Y436 HydrophobicContact CG1-CG 4.42Å; V406-Y436 VanDerWaalsContact CG2-OH 3.31Å; V406-Y436 WeakPolarHBondContact CG2-OH 3.33Å; I432-Y436 HydrophobicContact CG2-CD2 4.42Å; I432-Y436 WeakPolarHBondContact O-CB 3.46Å; I432-Y436 PolarHBondContact O-N 2.83Å; Y436-H440 VanDerWaalsContact CB-CD2 3.46Å; Y436-H440 WeakPolarHBondContact CB-CD2 3.32Å; Y436-H440 PolarHBondContact O-CD2 2.86Å
437G92.3Very high95.1Very high18 Ų1852.2 Ų52.219%0.18625%0.251CS..  trans107.4162.9176.300000114.9I433 E439 H440I433-G437 CarbonylContact O-C 3.4Å; I433-G437 WeakPolarHBondContact O-CA 3.44Å; I433-G437 PolarHBondContact O-N 3.31Å; I433-G437 VanDerWaalsContact O-N 3.11Å; G437-E439 VanDerWaalsContact C-N 3.26Å; G437-E439 VanDerWaalsContact C-OE2 3.25Å; G437-E439 WeakPolarHBondContact CA-OE2 3.18Å; G437-E439 PolarHBondContact O-N 3.47Å; G437-H440 PolarHBondContact O-N 3.35Å
438F90.8Very high95Very high168 Ų16851.7 Ų51.774%0.73725%0.252SS*.THydrogen-bonded Turntrans-69.4-20.8-174.7-66.2-79.4000113.5I433 H440 I441I433-F438 HydrophobicContact CG2-CD1 3.54Å; I433-F438 HydrophobicContact CG2-CE1 3.7Å; I433-F438 HydrophobicContact CG2-CG 4.28Å; F438-H440 PolarHBondContact O-N 2.96Å; F438-I441 WeakPolarHBondContact O-CB 3.4Å; F438-I441 WeakPolarHBondContact O-CG2 3.28Å; F438-I441 PolarHBondContact O-N 2.79Å
439E88.3Confident94.7Very high87 Ų8757 Ų5741%0.40727%0.272SS..THydrogen-bonded Turntrans-57.1-28.6174.759.7-93.6-132.800112.5G437 I441 F442 V734G437-E439 VanDerWaalsContact C-N 3.26Å; G437-E439 VanDerWaalsContact C-OE2 3.25Å; G437-E439 WeakPolarHBondContact CA-OE2 3.18Å; G437-E439 PolarHBondContact O-N 3.47Å; E439-I441 PolarHBondContact O-N 3.45Å; E439-F442 PolarHBondContact O-N 3.07Å; E439-V734 HydrophobicContact CB-CB 4.33Å
440H93.2Very high94.6Very high26 Ų2654.9 Ų54.912%0.1226%0.264CS..Hα-helixtrans-74.3-4.2179-71.5-66.9000113.7I432 Y436 G437 F438 F442 T443 L444I432-H440 HydrophobicContact CG2-CB 4.06Å; Y436-H440 VanDerWaalsContact CB-CD2 3.46Å; Y436-H440 WeakPolarHBondContact CB-CD2 3.32Å; Y436-H440 PolarHBondContact O-CD2 2.86Å; G437-H440 PolarHBondContact O-N 3.35Å; F438-H440 PolarHBondContact O-N 2.96Å; H440-F442 PolarHBondContact O-N 3.19Å; H440-T443 PolarHBondContact ND1-OG1 3.41Å; H440-T443 WeakPolarHBondContact O-CB 3.14Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.08Å; H440-L444 WeakPolarHBondContact O-CG 3.19Å; H440-L444 PolarHBondContact O-N 2.73Å
441I93.6Very high94.5Very high92 Ų9250.1 Ų50.147%0.47224%0.238SC..Hα-helixtrans-57.7-39.8170.6-160.3168.5000111.8F438 E439 T443 L444 D445F438-I441 WeakPolarHBondContact O-CB 3.4Å; F438-I441 WeakPolarHBondContact O-CG2 3.28Å; F438-I441 PolarHBondContact O-N 2.79Å; E439-I441 PolarHBondContact O-N 3.45Å; I441-T443 VanDerWaalsContact C-N 3.35Å; I441-L444 PolarHBondContact O-N 3.34Å; I441-D445 WeakPolarHBondContact O-CB 3.47Å; I441-D445 PolarHBondContact O-N 3.04Å
442F92.3Very high94.5Very high94 Ų9448.3 Ų48.341%0.41223%0.23SC..Hα-helixtrans-72.2-32.3176.8-61.7-72.8000111.8E439 H440 N446 Q732 V734E439-F442 PolarHBondContact O-N 3.07Å; H440-F442 PolarHBondContact O-N 3.19Å; F442-N446 WeakPolarHBondContact O-CB 3.45Å; F442-N446 PolarHBondContact O-N 3.41Å; F442-N446 PolarHBondContact O-ND2 3.32Å; F442-Q732 HydrophobicContact CB-CB 4.34Å; F442-V734 HydrophobicContact CD2-CG2 3.44Å; F442-V734 VanDerWaalsContact CD2-CG2 3.44Å; F442-V734 HydrophobicContact CE2-CG2 3.55Å; F442-V734 HydrophobicContact CG-CG2 4.49Å
443T95Very high94.6Very high2 Ų248.2 Ų48.21%0.01223%0.23CC..Hα-helixtrans-65.8-47.7174.9-57.70000110.1L407 H440 I441 D445 N446 L447 C731L407-T443 HydrophobicContact CD1-CG2 3.65Å; H440-T443 PolarHBondContact ND1-OG1 3.41Å; H440-T443 WeakPolarHBondContact O-CB 3.14Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.08Å; I441-T443 VanDerWaalsContact C-N 3.35Å; T443-D445 PolarHBondContact O-N 3.06Å; T443-N446 WeakPolarHBondContact O-CB 3.18Å; T443-N446 PolarHBondContact O-N 2.86Å; T443-L447 HydrophobicContact CG2-CD1 4.5Å; T443-L447 WeakPolarHBondContact O-CG 3.31Å; T443-L447 PolarHBondContact O-N 2.96Å; T443-C731 HydrophobicContact CG2-CB 4.29Å; T443-C731 VanDerWaalsContact CG2-SG 3.59Å
444L96.3Very high94.6Very high9 Ų946.8 Ų46.85%0.04722%0.222CC..Hα-helixtrans-62.3-41.8177.1-68168000112L407 R429 I432 I433 H440 I441 L447 E448 L453L407-L444 HydrophobicContact CD2-CD2 4.34Å; R429-L444 HydrophobicContact CB-CD1 4.32Å; R429-L444 HydrophobicContact CG-CD1 4.2Å; R429-L444 HydrophobicContact CG-CD2 4.46Å; I432-L444 HydrophobicContact CD1-CD2 3.86Å; I432-L444 HydrophobicContact CG2-CD1 4.19Å; I432-L444 HydrophobicContact CG2-CD2 4.48Å; I433-L444 HydrophobicContact CD1-CD1 4.14Å; I433-L444 HydrophobicContact CG1-CD1 3.98Å; H440-L444 WeakPolarHBondContact O-CG 3.19Å; H440-L444 PolarHBondContact O-N 2.73Å; I441-L444 PolarHBondContact O-N 3.34Å; L444-L447 PolarHBondContact O-N 3.5Å; L444-E448 PolarHBondContact O-N 3.01Å; L444-L453 HydrophobicContact CD2-CD2 3.75Å
445D94.5Very high94.7Very high50 Ų5044.6 Ų44.627%0.26721%0.212SC..Hα-helixtrans-62.5-41.8173.5170.755.3000111.7I441 T443 E448 R449I441-D445 WeakPolarHBondContact O-CB 3.47Å; I441-D445 PolarHBondContact O-N 3.04Å; T443-D445 PolarHBondContact O-N 3.06Å; D445-E448 PolarHBondContact O-N 2.69Å; D445-R449 WeakPolarHBondContact O-CB 3.49Å; D445-R449 VanDerWaalsContact O-CG 3.26Å; D445-R449 WeakPolarHBondContact O-CG 3.46Å; D445-R449 PolarHBondContact O-N 2.77Å; D445-R449 IonicContact OD1-CZ 3.35Å; D445-R449 IonicContact OD1-NE 2.8Å; D445-R449 PolarHBondContact OD1-NE 2.86Å; D445-R449 IonicContact OD1-NH2 3.63Å; D445-R449 PolarHBondContact OD1-NH2 2.89Å; D445-R449 IonicContact OD2-CZ 2.65Å; D445-R449 IonicContact OD2-NE 3.85Å; D445-R449 PolarHBondContact OD2-NE 3.45Å; D445-R449 VanDerWaalsContact OD2-NE 3.12Å; D445-R449 IonicContact OD2-NH1 3.47Å; D445-R449 PolarHBondContact OD2-NH1 2.92Å; D445-R449 IonicContact OD2-NH2 3.35Å; D445-R449 PolarHBondContact OD2-NH2 3.31Å
446N95.2Very high94.5Very high2 Ų243.4 Ų43.41%0.01121%0.206CC..Hα-helixtrans-63-42.9174.7-74-21000112.6I168 F442 T443 E448 R449 V450 L730 Q732I168-N446 HydrophobicContact CD1-CB 3.78Å; I168-N446 WeakPolarHBondContact CG2-OD1 3.37Å; F442-N446 WeakPolarHBondContact O-CB 3.45Å; F442-N446 PolarHBondContact O-N 3.41Å; F442-N446 PolarHBondContact O-ND2 3.32Å; T443-N446 WeakPolarHBondContact O-CB 3.18Å; T443-N446 PolarHBondContact O-N 2.86Å; N446-E448 VanDerWaalsContact C-N 3.29Å; N446-E448 PolarHBondContact O-N 3.24Å; N446-R449 PolarHBondContact O-N 2.97Å; N446-V450 WeakPolarHBondContact O-CG2 3.1Å; N446-V450 PolarHBondContact O-N 3.02Å; N446-L730 WeakPolarHBondContact CB-O 3.47Å; N446-L730 PolarHBondContact ND2-O 3.33Å; N446-Q732 PolarHBondContact ND2-NE2 3.36Å
447L97Very high94Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-62.2-39175.7-67.5174.1000111.5L407 T443 L444 G451 L452 L453 I727 L730L407-L447 HydrophobicContact CD1-CD1 4.2Å; L407-L447 HydrophobicContact CD2-CD1 3.77Å; L407-L447 HydrophobicContact CG-CD1 4.4Å; T443-L447 HydrophobicContact CG2-CD1 4.5Å; T443-L447 WeakPolarHBondContact O-CG 3.31Å; T443-L447 PolarHBondContact O-N 2.96Å; L444-L447 PolarHBondContact O-N 3.5Å; L447-G451 PolarHBondContact O-N 2.86Å; L447-L452 HydrophobicContact CD2-CB 4.25Å; L447-L452 HydrophobicContact CD2-CD1 4.03Å; L447-L452 PolarHBondContact O-N 3.03Å; L447-L453 HydrophobicContact CB-CB 3.85Å; L447-L453 HydrophobicContact CD1-CD2 4.44Å; L447-L453 PolarHBondContact O-N 2.89Å; L447-I727 HydrophobicContact CD2-CD1 4.34Å; L447-L730 HydrophobicContact CD2-CB 4.29Å; L447-L730 HydrophobicContact CD2-CD1 3.71Å
448E95.5Very high93.1Very high64 Ų6448.2 Ų48.230%0.29924%0.24SC..Hα-helixtrans-67.9-42.1174.2179.7175.1172.600112.6R429 L444 D445 N446 V450 G451 L453 K492R429-E448 IonicContact CZ-OE2 3.36Å; R429-E448 IonicContact NH2-OE2 3.73Å; R429-E448 PolarHBondContact NH2-OE2 3.3Å; L444-E448 PolarHBondContact O-N 3.01Å; D445-E448 PolarHBondContact O-N 2.69Å; N446-E448 VanDerWaalsContact C-N 3.29Å; N446-E448 PolarHBondContact O-N 3.24Å; E448-V450 VanDerWaalsContact C-N 3.34Å; E448-V450 PolarHBondContact O-N 3.14Å; E448-G451 PolarHBondContact O-N 2.86Å; E448-G451 VanDerWaalsContact O-N 3.15Å; E448-L453 WeakPolarHBondContact CA-O 3.37Å; E448-L453 WeakPolarHBondContact CB-O 3.21Å; E448-K492 WeakPolarHBondContact O-CD 3.48Å; E448-K492 WeakPolarHBondContact O-CE 3.4Å; E448-K492 PolarHBondContact O-NZ 3Å; E448-K492 IonicContact OE1-NZ 3.88Å; E448-K492 PolarHBondContact OE1-NZ 3.34Å
449R93Very high91.6Very high112 Ų11244.6 Ų44.642%0.42324%0.236SC..Hα-helixtrans-63.7-37.8178.3-76.8175.6-171.8175.40.6112.6D445 N446 G451 K492D445-R449 WeakPolarHBondContact O-CB 3.49Å; D445-R449 VanDerWaalsContact O-CG 3.26Å; D445-R449 WeakPolarHBondContact O-CG 3.46Å; D445-R449 PolarHBondContact O-N 2.77Å; D445-R449 IonicContact OD1-CZ 3.35Å; D445-R449 IonicContact OD1-NE 2.8Å; D445-R449 PolarHBondContact OD1-NE 2.86Å; D445-R449 IonicContact OD1-NH2 3.63Å; D445-R449 PolarHBondContact OD1-NH2 2.89Å; D445-R449 IonicContact OD2-CZ 2.65Å; D445-R449 IonicContact OD2-NE 3.85Å; D445-R449 PolarHBondContact OD2-NE 3.45Å; D445-R449 VanDerWaalsContact OD2-NE 3.12Å; D445-R449 IonicContact OD2-NH1 3.47Å; D445-R449 PolarHBondContact OD2-NH1 2.92Å; D445-R449 IonicContact OD2-NH2 3.35Å; D445-R449 PolarHBondContact OD2-NH2 3.31Å; N446-R449 PolarHBondContact O-N 2.97Å; R449-G451 VanDerWaalsContact C-N 3.34Å; R449-K492 WeakPolarHBondContact O-CB 3.49Å
450V95.1Very high89.8Confident1 Ų147.4 Ų47.41%0.00625%0.253CS..Hα-helixtrans-75.9-26.9174.4175.50000111.2F163 I168 N446 E448 L452 I495 L730F163-V450 HydrophobicContact CE1-CG1 3.83Å; F163-V450 HydrophobicContact CE1-CG2 4.44Å; F163-V450 HydrophobicContact CZ-CG1 3.69Å; I168-V450 HydrophobicContact CD1-CG2 4.34Å; I168-V450 HydrophobicContact CG1-CG2 3.99Å; N446-V450 WeakPolarHBondContact O-CG2 3.1Å; N446-V450 PolarHBondContact O-N 3.02Å; E448-V450 VanDerWaalsContact C-N 3.34Å; E448-V450 PolarHBondContact O-N 3.14Å; V450-L452 HydrophobicContact CG1-CD1 4.43Å; V450-L452 HydrophobicContact CG1-CG 4.08Å; V450-I495 HydrophobicContact CG1-CD1 3.6Å; V450-I495 WeakPolarHBondContact O-CD1 3.26Å; V450-L730 HydrophobicContact CG2-CD2 4.2Å
451G96.4Very high87.3Confident0 Ų052.6 Ų52.60%028%0.279CS..THydrogen-bonded Turntrans94.819.6-178.800000114.1L447 E448 R449 Y454 I495L447-G451 PolarHBondContact O-N 2.86Å; E448-G451 PolarHBondContact O-N 2.86Å; E448-G451 VanDerWaalsContact O-N 3.15Å; R449-G451 VanDerWaalsContact C-N 3.34Å; G451-Y454 WeakPolarHBondContact O-CD1 3.49Å; G451-Y454 VanDerWaalsContact O-CE1 3.27Å; G451-Y454 WeakPolarHBondContact O-CE1 3.48Å; G451-I495 VanDerWaalsContact O-CG2 3.24Å; G451-I495 WeakPolarHBondContact O-CG2 3.4Å
452L97.6Very high85Confident1 Ų151.5 Ų51.51%0.00528%0.279CS..SBendtrans-84.8-19.8173.8-62.7-179.3000113.2P248 C411 S414 L447 V450 I495 F726 L730P248-L452 HydrophobicContact CB-CD2 3.79Å; P248-L452 HydrophobicContact CG-CD2 4.45Å; C411-L452 HydrophobicContact CB-CB 4.27Å; S414-L452 WeakPolarHBondContact CB-O 3.43Å; L447-L452 HydrophobicContact CD2-CB 4.25Å; L447-L452 HydrophobicContact CD2-CD1 4.03Å; L447-L452 PolarHBondContact O-N 3.03Å; V450-L452 HydrophobicContact CG1-CD1 4.43Å; V450-L452 HydrophobicContact CG1-CG 4.08Å; L452-I495 HydrophobicContact CD2-CG2 4.45Å; L452-F726 HydrophobicContact CD1-CE1 3.78Å; L452-F726 HydrophobicContact CD1-CZ 4.29Å; L452-L730 HydrophobicContact CD1-CD1 3.59Å
453L97.6Very high82.4Confident0 Ų050.8 Ų50.80%029%0.286CS..SBendtrans-141100.4177.9-17856.4000110I410 L420 L425 L444 L447 E448I410-L453 HydrophobicContact CG2-CD1 3.63Å; I410-L453 HydrophobicContact CG2-CD2 4.32Å; L420-L453 HydrophobicContact CD1-CD1 3.89Å; L425-L453 HydrophobicContact CD1-CD1 3.42Å; L425-L453 VanDerWaalsContact CD1-CD1 3.42Å; L425-L453 HydrophobicContact CD1-CD2 4.3Å; L425-L453 HydrophobicContact CD1-CG 3.62Å; L444-L453 HydrophobicContact CD2-CD2 3.75Å; L447-L453 HydrophobicContact CB-CB 3.85Å; L447-L453 HydrophobicContact CD1-CD2 4.44Å; L447-L453 PolarHBondContact O-N 2.89Å; E448-L453 WeakPolarHBondContact CA-O 3.37Å; E448-L453 WeakPolarHBondContact CB-O 3.21Å
454Y96.4Very high79.7Confident5 Ų557.3 Ų57.32%0.0232%0.319CS..  trans-148163.1-171.867.3-82.6000112.5G418 G419 L420 G451 I496 S499G418-Y454 WeakPolarHBondContact O-CE2 3.26Å; G418-Y454 PolarHBondContact O-OH 2.91Å; G418-Y454 VanDerWaalsContact O-OH 3.07Å; G419-Y454 WeakPolarHBondContact CA-O 3.31Å; G419-Y454 PolarHBondContact N-OH 3.34Å; L420-Y454 PolarHBondContact N-O 2.79Å; G451-Y454 WeakPolarHBondContact O-CD1 3.49Å; G451-Y454 VanDerWaalsContact O-CE1 3.27Å; G451-Y454 WeakPolarHBondContact O-CE1 3.48Å; Y454-I496 HydrophobicContact CD1-CG1 4.06Å; Y454-I496 HydrophobicContact CD2-CD1 3.89Å; Y454-I496 HydrophobicContact CD2-CG1 3.88Å; Y454-I496 HydrophobicContact CE1-CG1 3.93Å; Y454-I496 HydrophobicContact CE2-CB 4.34Å; Y454-I496 HydrophobicContact CE2-CD1 4.22Å; Y454-I496 HydrophobicContact CE2-CG1 3.79Å; Y454-I496 HydrophobicContact CE2-CG2 3.89Å; Y454-I496 HydrophobicContact CG-CD1 4.11Å; Y454-I496 HydrophobicContact CG-CG1 4.03Å; Y454-S499 WeakPolarHBondContact OH-CB 3.05Å; Y454-S499 PolarHBondContact OH-OG 3.12Å
455E96.6Very high76.7Confident107 Ų10760.2 Ų60.250%0.533%0.333SS..BIsolated β-bridgetrans-73.1129.4176.6-167.2-169177.200111.1L420 Q422 L425L420-E455 CarbonylContact O-C 3.5Å; L420-E455 VanDerWaalsContact O-CA 3.27Å; L420-E455 WeakPolarHBondContact O-CA 3.42Å; Q422-E455 HydrophobicContact CB-CG 4.2Å; Q422-E455 PolarHBondContact OE1-OE2 3.31Å; L425-E455 HydrophobicContact CD2-CB 4.1Å
456S92.6Very high73.8Confident38 Ų3863.6 Ų63.627%0.26636%0.355SS..PPolyproline II helixtrans-57.1134.6173.2174.80000110.6L420 S458L420-S456 PolarHBondContact O-N 3.05Å; S456-S458 PolarHBondContact O-N 3.48Å
457P84.7Confident70.7Confident78 Ų7867.2 Ų67.251%0.50638%0.381SS..PPolyproline II helixtrans-61.5135176.125.8-33.3000110.8T500P457-T500 HydrophobicContact CG-CG2 4.23Å
458S73.3Confident67.9Low77 Ų7772.7 Ų72.754%0.53842%0.419SS..PPolyproline II helixtrans-69.3134.7177.559.60000111.4S456 L460 M461S456-S458 PolarHBondContact O-N 3.48Å; S458-L460 PolarHBondContact O-N 2.91Å; S458-M461 PolarHBondContact O-N 2.94Å; S458-M461 VanDerWaalsContact O-N 3.11Å
459S59.3Low64.9Low92 Ų9276.2 Ų76.264%0.64343%0.434SS*.Hα-helixtrans-57-20.4-175.5-173.30000114.9S462 S463S459-S462 PolarHBondContact O-OG 3.45Å; S459-S463 PolarHBondContact O-OG 2.94Å
460L49.6Very low62.4Low146 Ų14674.8 Ų74.876%0.76444%0.437SS*.Hα-helixtrans-72.4-29.2179.5-80.9163.6000112.9S458S458-L460 PolarHBondContact O-N 2.91Å
461M41.2Very low60Low135 Ų13578.1 Ų78.167%0.66546%0.459SS*.Hα-helixtrans-87.8-24-179.6-89.6-72.3-177.100113.6S458S458-M461 PolarHBondContact O-N 2.94Å; S458-M461 VanDerWaalsContact O-N 3.11Å
462S46.3Very low57.3Low69 Ų6982.9 Ų82.948%0.48348%0.481SS..Hα-helixtrans-75.8-33.5177.158.60000112.6S459 I464 Q465S459-S462 PolarHBondContact O-OG 3.45Å; S462-I464 VanDerWaalsContact C-N 3.33Å; S462-I464 PolarHBondContact O-N 2.99Å; S462-Q465 PolarHBondContact O-N 3.3Å
463S37.5Very low54.4Low78 Ų7887.9 Ų87.955%0.54551%0.505SS..THydrogen-bonded Turntrans-69.8-24.5-175.9-54.80000114S459 Q465S459-S463 PolarHBondContact O-OG 2.94Å; S463-Q465 VanDerWaalsContact C-N 3.3Å; S463-Q465 PolarHBondContact O-N 2.95Å
464I37.5Very low51.6Low139 Ų13992.6 Ų92.671%0.71353%0.525SS*.THydrogen-bonded Turntrans-83.1-7.1-179.1-62174.5000111.8S462S462-I464 VanDerWaalsContact C-N 3.33Å; S462-I464 PolarHBondContact O-N 2.99Å
465Q33.8Very low49.1Very low71 Ų7195.7 Ų95.733%0.33254%0.541SS..  trans-124.516.3-170.4-69.8-162.9-53.100116.5S462 S463 S467 K474 R478S462-Q465 PolarHBondContact O-N 3.3Å; S463-Q465 VanDerWaalsContact C-N 3.3Å; S463-Q465 PolarHBondContact O-N 2.95Å; Q465-S467 PolarHBondContact O-N 3.37Å; Q465-K474 PolarHBondContact O-NZ 2.82Å; Q465-R478 VanDerWaalsContact NE2-CZ 3.28Å
466T33Very low46.1Very low121 Ų12197.8 Ų97.874%0.74256%0.556SS**  trans-93.166.6169.156.20000110.5
467S31.6Very low43.2Very low78 Ų78100.7 Ų100.755%0.54558%0.576SS.*SBendtrans-118.5110.7160.949.90000109.9Q465 F469Q465-S467 PolarHBondContact O-N 3.37Å; S467-F469 WeakPolarHBondContact O-CD2 3.42Å; S467-F469 PolarHBondContact O-N 3.27Å; S467-F469 VanDerWaalsContact O-N 3.07Å
468S38.3Very low40.7Very low114 Ų114104.1 Ų104.180%0.79758%0.579SS**SBendtrans43.138.7150.468.60000121.7
469F32.6Very low38.9Very low139 Ų139106.2 Ų106.261%0.6158%0.584SS**  trans-131.7145.4165.7-67.9-75.3000112S467 E473S467-F469 WeakPolarHBondContact O-CD2 3.42Å; S467-F469 PolarHBondContact O-N 3.27Å; S467-F469 VanDerWaalsContact O-N 3.07Å; F469-E473 HydrophobicContact CB-CB 4.34Å; F469-E473 WeakPolarHBondContact CD1-OE2 3.44Å
470T40.5Very low37.5Very low81 Ų81107.8 Ų107.850%0.49760%0.595SS.*  trans-70.2152.6177.759.80000110.4Q472 E473T470-Q472 PolarHBondContact O-N 3.32Å; T470-E473 PolarHBondContact N-OE2 3.29Å; T470-E473 PolarHBondContact O-N 3.18Å; T470-E473 PolarHBondContact OG1-OE2 3.48Å
471P43.9Very low36.7Very low72 Ų72106 Ų10647%0.46859%0.594SS.*Hα-helixtrans-53.6-29.1-174.9-27.234.2000114.8E473 K474P471-E473 PolarHBondContact O-N 2.81Å; P471-K474 PolarHBondContact O-N 3.31Å
472Q39.6Very low36.4Very low100 Ų100106.9 Ų106.947%0.46760%0.601SS.*Hα-helixtrans-67.5-31.5179-83.1-177.9-26.900113.6T470 K474T470-Q472 PolarHBondContact O-N 3.32Å; Q472-K474 VanDerWaalsContact C-N 3.33Å; Q472-K474 PolarHBondContact O-N 3.46Å
473E37.6Very low36.3Very low106 Ų106109.5 Ų109.550%0.49562%0.62SS.*Hα-helixtrans-77.1-20.7-177.7-71.3168.3134.600112.6F469 T470 P471F469-E473 HydrophobicContact CB-CB 4.34Å; F469-E473 WeakPolarHBondContact CD1-OE2 3.44Å; T470-E473 PolarHBondContact N-OE2 3.29Å; T470-E473 PolarHBondContact O-N 3.18Å; T470-E473 PolarHBondContact OG1-OE2 3.48Å; P471-E473 PolarHBondContact O-N 2.81Å
474K38.4Very low36.7Very low99 Ų99109.5 Ų109.543%0.4362%0.62SS.*Hα-helixtrans-74.7-25.3177.8-80.8-175.9176.1179.80114.1Q465 P471 Q472 N476Q465-K474 PolarHBondContact O-NZ 2.82Å; P471-K474 PolarHBondContact O-N 3.31Å; Q472-K474 VanDerWaalsContact C-N 3.33Å; Q472-K474 PolarHBondContact O-N 3.46Å; K474-N476 PolarHBondContact O-N 2.91Å
475I43.6Very low37.7Very low70 Ų70104.4 Ų104.436%0.35960%0.596SS.*THydrogen-bonded Turntrans-68.5-26.7-176.7-63175.7000111.4
476N33.1Very low39.4Very low150 Ų150109.5 Ų109.580%0.80262%0.617SS**THydrogen-bonded Turntrans-89.2-8.8-172.5-72-16.6000115.5K474K474-N476 PolarHBondContact O-N 2.91Å
477S32.3Very low40.8Very low99 Ų99105.3 Ų105.369%0.69259%0.59SS**SBendtrans-117.73.7-167.964.80000117.2
478R32.1Very low42.7Very low151 Ų151102.5 Ų102.557%0.5757%0.571SS**  trans-126.7112.2171.8-85.4175.9161.3161.9-9.7109.4Q465Q465-R478 VanDerWaalsContact NE2-CZ 3.28Å
479N35.9Very low44.6Very low120 Ų12098.5 Ų98.564%0.64254%0.544SS*.  trans-175.485.2148.9-88.2-20.8000109.7
480S30Very low47.2Very low125 Ų12594 Ų9487%0.87453%0.527SS*.  trans-133.963.5167.766.20000110
481S32.3Very low49.7Very low108 Ų10890.5 Ų90.576%0.75551%0.505SS*.SBendtrans-158.5115.6165.456.10000112.5
482L34.1Very low52.1Low154 Ų15489.7 Ų89.781%0.80649%0.494SS*.  trans49.5109.5149.9-139.366.2000122S484L482-S484 VanDerWaalsContact C-N 3.29Å; L482-S484 PolarHBondContact O-N 2.95Å
483S45.4Very low54.7Low125 Ų12589.8 Ų89.887%0.87449%0.494SS*.SBendtrans41.75.3146.299.10000123.4
484S45.4Very low57.5Low77 Ų7785.4 Ų85.454%0.53848%0.475SS..SBendtrans-82142.6157.455.50000108.8L482 K486L482-S484 VanDerWaalsContact C-N 3.29Å; L482-S484 PolarHBondContact O-N 2.95Å; S484-K486 PolarHBondContact O-N 3.44Å
485S57.8Low60.2Low32 Ų3280.7 Ų80.722%0.22445%0.454CS..  trans-56.2136.9176.361.60000110E170 L487 S488 A489E170-S485 WeakPolarHBondContact OE1-CB 3.36Å; E170-S485 PolarHBondContact OE1-OG 3.09Å; E170-S485 WeakPolarHBondContact OE2-CB 3.46Å; E170-S485 PolarHBondContact OE2-OG 3.23Å; S485-L487 PolarHBondContact O-N 3.22Å; S485-S488 PolarHBondContact O-N 2.86Å; S485-S488 VanDerWaalsContact OG-CB 3.31Å; S485-S488 WeakPolarHBondContact OG-CB 3.44Å; S485-S488 PolarHBondContact OG-N 3.07Å; S485-A489 PolarHBondContact O-N 3.41Å
486K69.8Low62.8Low179 Ų17978.5 Ų78.578%0.77844%0.443SS*.Hα-helixtrans-53.7-33.5-178.6-67.2-179.9178.91790112.2S484 N490S484-K486 PolarHBondContact O-N 3.44Å; K486-N490 WeakPolarHBondContact O-CB 3.5Å; K486-N490 PolarHBondContact O-N 3.35Å; K486-N490 VanDerWaalsContact O-N 3.1Å; K486-N490 PolarHBondContact O-ND2 2.88Å; K486-N490 PolarHBondContact O-OD1 3.28Å
487L63.3Low65.8Low33 Ų3373.3 Ų73.317%0.17342%0.415CS..Hα-helixtrans-69.7-45.5-178.8-176.462.9000112.6Y166 E200 S485 A489 N490 L491Y166-L487 HydrophobicContact CD2-CD2 4.27Å; Y166-L487 HydrophobicContact CE2-CD2 3.6Å; E200-L487 HydrophobicContact CG-CD1 4.04Å; E200-L487 WeakPolarHBondContact OE1-CD1 3.38Å; S485-L487 PolarHBondContact O-N 3.22Å; L487-A489 VanDerWaalsContact C-N 3.33Å; L487-A489 PolarHBondContact O-N 3.43Å; L487-N490 PolarHBondContact O-N 3.42Å; L487-L491 WeakPolarHBondContact O-CB 3.35Å; L487-L491 PolarHBondContact O-N 3.44Å
488S70.5Confident68.9Low19 Ų1968.6 Ų68.613%0.13338%0.382CS..Hα-helixtrans-65.1-39.5178.4-172.70000111.2S485 L491 K492S485-S488 PolarHBondContact O-N 2.86Å; S485-S488 VanDerWaalsContact OG-CB 3.31Å; S485-S488 WeakPolarHBondContact OG-CB 3.44Å; S485-S488 PolarHBondContact OG-N 3.07Å; S488-L491 PolarHBondContact O-N 3.33Å; S488-K492 WeakPolarHBondContact O-CB 3.32Å; S488-K492 PolarHBondContact O-N 2.86Å
489A78.1Confident72Confident29 Ų2961.5 Ų61.524%0.2436%0.356CS..Hα-helixtrans-62.4-43.3175.500000112.6S485 L487 Q493S485-A489 PolarHBondContact O-N 3.41Å; L487-A489 VanDerWaalsContact C-N 3.33Å; L487-A489 PolarHBondContact O-N 3.43Å; A489-Q493 WeakPolarHBondContact O-CB 3.46Å; A489-Q493 PolarHBondContact O-N 2.93Å
490N88Confident74.8Confident46 Ų4658.2 Ų58.225%0.24634%0.34CS..Hα-helixtrans-64.8-41.7177.1-71.4-13.1000112.3E200 K486 L487 Q493 T494E200-N490 PolarHBondContact OE1-ND2 3.4Å; E200-N490 WeakPolarHBondContact OE2-CB 3.44Å; K486-N490 WeakPolarHBondContact O-CB 3.5Å; K486-N490 PolarHBondContact O-N 3.35Å; K486-N490 VanDerWaalsContact O-N 3.1Å; K486-N490 PolarHBondContact O-ND2 2.88Å; K486-N490 PolarHBondContact O-OD1 3.28Å; L487-N490 PolarHBondContact O-N 3.42Å; N490-Q493 PolarHBondContact O-N 3.27Å; N490-T494 WeakPolarHBondContact O-CB 3.36Å; N490-T494 PolarHBondContact O-N 2.93Å; N490-T494 PolarHBondContact O-OG1 3.31Å
491L92.2Very high78Confident6 Ų653.2 Ų53.23%0.03131%0.305CS..Hα-helixtrans-59.9-54.2175172.466000111.3S167 A245 L487 S488 Q493 T494 I495S167-L491 VanDerWaalsContact OG-CD2 3.26Å; S167-L491 WeakPolarHBondContact OG-CD2 3.46Å; A245-L491 HydrophobicContact CB-CD1 3.31Å; L487-L491 WeakPolarHBondContact O-CB 3.35Å; L487-L491 PolarHBondContact O-N 3.44Å; S488-L491 PolarHBondContact O-N 3.33Å; L491-Q493 VanDerWaalsContact C-N 3.28Å; L491-Q493 PolarHBondContact O-N 3.02Å; L491-T494 WeakPolarHBondContact O-CB 3.35Å; L491-T494 PolarHBondContact O-N 3.42Å; L491-T494 VanDerWaalsContact O-N 3.12Å; L491-I495 HydrophobicContact CD1-CD1 3.96Å; L491-I495 HydrophobicContact CG-CD1 4.41Å; L491-I495 PolarHBondContact O-N 3.44Å
492K94.7Very high81Confident55 Ų5548.1 Ų48.124%0.23927%0.269CS..Hα-helixtrans-53.4-48.6178.5-172.9173.2176.8167.20110.7E448 R449 S488 T494 I495 I496E448-K492 WeakPolarHBondContact O-CD 3.48Å; E448-K492 WeakPolarHBondContact O-CE 3.4Å; E448-K492 PolarHBondContact O-NZ 3Å; E448-K492 IonicContact OE1-NZ 3.88Å; E448-K492 PolarHBondContact OE1-NZ 3.34Å; R449-K492 WeakPolarHBondContact O-CB 3.49Å; S488-K492 WeakPolarHBondContact O-CB 3.32Å; S488-K492 PolarHBondContact O-N 2.86Å; K492-T494 VanDerWaalsContact C-N 3.34Å; K492-T494 PolarHBondContact O-N 3.37Å; K492-I495 PolarHBondContact O-N 3.24Å; K492-I496 HydrophobicContact CD-CD1 4.46Å; K492-I496 HydrophobicContact CG-CD1 3.81Å; K492-I496 HydrophobicContact CG-CG1 4.47Å; K492-I496 WeakPolarHBondContact O-CB 3.31Å; K492-I496 VanDerWaalsContact O-CG1 3.27Å; K492-I496 WeakPolarHBondContact O-CG1 3.29Å; K492-I496 PolarHBondContact O-N 3.29Å
493Q94.7Very high83.8Confident103 Ų10343.8 Ų43.848%0.48125%0.247SC..Hα-helixtrans-65-38.2-179.1-168.761.158.200112.3A489 N490 L491 I496 N497A489-Q493 WeakPolarHBondContact O-CB 3.46Å; A489-Q493 PolarHBondContact O-N 2.93Å; N490-Q493 PolarHBondContact O-N 3.27Å; L491-Q493 VanDerWaalsContact C-N 3.28Å; L491-Q493 PolarHBondContact O-N 3.02Å; Q493-I496 PolarHBondContact O-N 2.88Å; Q493-N497 PolarHBondContact NE2-OD1 3.31Å; Q493-N497 WeakPolarHBondContact O-CB 3.27Å; Q493-N497 PolarHBondContact O-N 3.49Å; Q493-N497 PolarHBondContact O-ND2 3.46Å; Q493-N497 PolarHBondContact O-OD1 2.91Å
494T95.1Very high86Confident13 Ų1342.1 Ų42.18%0.0824%0.235CC..Hα-helixtrans-60.3-50176-61.30000110.8N490 L491 K492 N497 I498 A650N490-T494 WeakPolarHBondContact O-CB 3.36Å; N490-T494 PolarHBondContact O-N 2.93Å; N490-T494 PolarHBondContact O-OG1 3.31Å; L491-T494 WeakPolarHBondContact O-CB 3.35Å; L491-T494 PolarHBondContact O-N 3.42Å; L491-T494 VanDerWaalsContact O-N 3.12Å; K492-T494 VanDerWaalsContact C-N 3.34Å; K492-T494 PolarHBondContact O-N 3.37Å; T494-N497 PolarHBondContact O-N 3Å; T494-I498 HydrophobicContact CG2-CD1 3.9Å; T494-I498 VanDerWaalsContact O-CG1 3.31Å; T494-I498 WeakPolarHBondContact O-CG1 3.25Å; T494-I498 PolarHBondContact O-N 2.91Å; T494-I498 VanDerWaalsContact O-N 3.07Å; T494-A650 HydrophobicContact CG2-CB 3.77Å
495I96.7Very high88.3Confident0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-63.4-44.4179.1-72.5174.4000111.1A245 P248 V450 G451 L452 L491 K492 N497 I498 S499A245-I495 HydrophobicContact CB-CD1 4.08Å; A245-I495 HydrophobicContact CB-CG1 4.1Å; A245-I495 WeakPolarHBondContact O-CG1 3.31Å; P248-I495 HydrophobicContact CB-CD1 4.29Å; P248-I495 HydrophobicContact CB-CG1 4.48Å; P248-I495 HydrophobicContact CG-CD1 4.49Å; P248-I495 HydrophobicContact CG-CG1 4.16Å; P248-I495 HydrophobicContact CG-CG2 4.03Å; V450-I495 HydrophobicContact CG1-CD1 3.6Å; V450-I495 WeakPolarHBondContact O-CD1 3.26Å; G451-I495 VanDerWaalsContact O-CG2 3.24Å; G451-I495 WeakPolarHBondContact O-CG2 3.4Å; L452-I495 HydrophobicContact CD2-CG2 4.45Å; L491-I495 HydrophobicContact CD1-CD1 3.96Å; L491-I495 HydrophobicContact CG-CD1 4.41Å; L491-I495 PolarHBondContact O-N 3.44Å; K492-I495 PolarHBondContact O-N 3.24Å; I495-N497 VanDerWaalsContact C-N 3.33Å; I495-N497 PolarHBondContact O-N 3.24Å; I495-I498 PolarHBondContact O-N 3.49Å; I495-S499 WeakPolarHBondContact O-CB 3.5Å; I495-S499 PolarHBondContact O-N 2.88Å
496I97Very high90.1Very high25 Ų2539 Ų3913%0.12821%0.212CC..Hα-helixtrans-59.8-42.5176.2-70.5175.1000111.3Y454 K492 Q493 I498 S499 T500Y454-I496 HydrophobicContact CD1-CG1 4.06Å; Y454-I496 HydrophobicContact CD2-CD1 3.89Å; Y454-I496 HydrophobicContact CD2-CG1 3.88Å; Y454-I496 HydrophobicContact CE1-CG1 3.93Å; Y454-I496 HydrophobicContact CE2-CB 4.34Å; Y454-I496 HydrophobicContact CE2-CD1 4.22Å; Y454-I496 HydrophobicContact CE2-CG1 3.79Å; Y454-I496 HydrophobicContact CE2-CG2 3.89Å; Y454-I496 HydrophobicContact CG-CD1 4.11Å; Y454-I496 HydrophobicContact CG-CG1 4.03Å; K492-I496 HydrophobicContact CD-CD1 4.46Å; K492-I496 HydrophobicContact CG-CD1 3.81Å; K492-I496 HydrophobicContact CG-CG1 4.47Å; K492-I496 WeakPolarHBondContact O-CB 3.31Å; K492-I496 VanDerWaalsContact O-CG1 3.27Å; K492-I496 WeakPolarHBondContact O-CG1 3.29Å; K492-I496 PolarHBondContact O-N 3.29Å; Q493-I496 PolarHBondContact O-N 2.88Å; I496-I498 VanDerWaalsContact C-N 3.35Å; I496-I498 PolarHBondContact O-N 2.99Å; I496-S499 PolarHBondContact O-N 2.76Å; I496-T500 HydrophobicContact CG2-CG2 4.16Å; I496-T500 WeakPolarHBondContact O-CB 3.24Å; I496-T500 VanDerWaalsContact O-CG2 3.3Å; I496-T500 WeakPolarHBondContact O-CG2 3.41Å; I496-T500 PolarHBondContact O-N 3.07Å; I496-T500 PolarHBondContact O-OG1 3.49Å
497N95.9Very high91.3Very high41 Ų4132.2 Ų32.222%0.21918%0.182CC..Hα-helixtrans-64.4-40.7179.6-70-17.8000111.9Q493 T494 I495 T500 S501 C649Q493-N497 PolarHBondContact NE2-OD1 3.31Å; Q493-N497 WeakPolarHBondContact O-CB 3.27Å; Q493-N497 PolarHBondContact O-N 3.49Å; Q493-N497 PolarHBondContact O-ND2 3.46Å; Q493-N497 PolarHBondContact O-OD1 2.91Å; T494-N497 PolarHBondContact O-N 3Å; I495-N497 VanDerWaalsContact C-N 3.33Å; I495-N497 PolarHBondContact O-N 3.24Å; N497-T500 WeakPolarHBondContact CA-OG1 3.28Å; N497-T500 PolarHBondContact O-OG1 3.09Å; N497-S501 VanDerWaalsContact O-CB 3.23Å; N497-S501 WeakPolarHBondContact O-CB 3.47Å; N497-S501 PolarHBondContact O-N 2.71Å; N497-S501 VanDerWaalsContact O-N 3.15Å; N497-S501 PolarHBondContact O-OG 3.26Å; N497-C649 HydrophobicContact CB-CB 3.6Å
498I97.1Very high92.6Very high0 Ų033.2 Ų33.20%020%0.201CC..Hα-helixtrans-67.5-47.9177.5-65.9165.9000109.9A245 F415 T494 I495 I496 S501 Y502 L506 I538 I648 A650A245-I498 WeakPolarHBondContact O-CD1 3.5Å; F415-I498 HydrophobicContact CE2-CG2 4.12Å; F415-I498 HydrophobicContact CZ-CG2 3.87Å; T494-I498 HydrophobicContact CG2-CD1 3.9Å; T494-I498 VanDerWaalsContact O-CG1 3.31Å; T494-I498 WeakPolarHBondContact O-CG1 3.25Å; T494-I498 PolarHBondContact O-N 2.91Å; T494-I498 VanDerWaalsContact O-N 3.07Å; I495-I498 PolarHBondContact O-N 3.49Å; I496-I498 VanDerWaalsContact C-N 3.35Å; I496-I498 PolarHBondContact O-N 2.99Å; I498-S501 CarbonylContact O-C 3.52Å; I498-S501 PolarHBondContact O-N 3.11Å; I498-Y502 PolarHBondContact O-N 3.28Å; I498-L506 HydrophobicContact CG2-CD1 3.77Å; I498-I538 HydrophobicContact CG2-CD1 4.19Å; I498-I648 HydrophobicContact CD1-CG2 4.34Å; I498-I648 HydrophobicContact CG1-CG2 4.46Å; I498-A650 HydrophobicContact CD1-CB 4.45Å
499S97.5Very high93.6Very high1 Ų134.5 Ų34.51%0.00721%0.206CC..Hα-helixtrans-56.3-53.4176.9172.30000112.3F415 G418 Y454 I495 I496 S501 Y502F415-S499 WeakPolarHBondContact CA-OG 3.41Å; F415-S499 PolarHBondContact O-OG 3.17Å; G418-S499 WeakPolarHBondContact CA-OG 3.46Å; Y454-S499 WeakPolarHBondContact OH-CB 3.05Å; Y454-S499 PolarHBondContact OH-OG 3.12Å; I495-S499 WeakPolarHBondContact O-CB 3.5Å; I495-S499 PolarHBondContact O-N 2.88Å; I496-S499 PolarHBondContact O-N 2.76Å; S499-S501 PolarHBondContact O-N 2.85Å; S499-Y502 WeakPolarHBondContact O-CB 3.32Å; S499-Y502 PolarHBondContact O-N 3.49Å
500T96.1Very high94.3Very high51 Ų5133.2 Ų33.231%0.31320%0.195SC..Hα-helixtrans-63.6-25.9177.8520000113.8P457 I496 N497 S504P457-T500 HydrophobicContact CG-CG2 4.23Å; I496-T500 HydrophobicContact CG2-CG2 4.16Å; I496-T500 WeakPolarHBondContact O-CB 3.24Å; I496-T500 VanDerWaalsContact O-CG2 3.3Å; I496-T500 WeakPolarHBondContact O-CG2 3.41Å; I496-T500 PolarHBondContact O-N 3.07Å; I496-T500 PolarHBondContact O-OG1 3.49Å; N497-T500 WeakPolarHBondContact CA-OG1 3.28Å; N497-T500 PolarHBondContact O-OG1 3.09Å; T500-S504 PolarHBondContact O-OG 2.8Å
501S95.5Very high94.4Very high21 Ų2133 Ų3315%0.14719%0.191CC..Hα-helixtrans-89.8-7.4176.6-55.10000113.2N497 I498 S499 V505 L506N497-S501 VanDerWaalsContact O-CB 3.23Å; N497-S501 WeakPolarHBondContact O-CB 3.47Å; N497-S501 PolarHBondContact O-N 2.71Å; N497-S501 VanDerWaalsContact O-N 3.15Å; N497-S501 PolarHBondContact O-OG 3.26Å; I498-S501 CarbonylContact O-C 3.52Å; I498-S501 PolarHBondContact O-N 3.11Å; S499-S501 PolarHBondContact O-N 2.85Å; S501-V505 WeakPolarHBondContact O-CA 3.38Å; S501-V505 WeakPolarHBondContact O-CB 3.35Å; S501-V505 PolarHBondContact O-N 3.24Å; S501-L506 PolarHBondContact O-N 2.9Å
502Y96.4Very high94.5Very high0 Ų032.8 Ų32.80%019%0.19CC..Iπ-helixtrans-58.1-61.9-170.3174.7-102.7000111.9L249 I381 F415 C416 I498 S499 L506 K507 L512 Y535 I538L249-Y502 HydrophobicContact CD2-CE2 3.88Å; I381-Y502 PolarHBondContact O-OH 2.8Å; F415-Y502 HydrophobicContact CD1-CG 4.46Å; F415-Y502 AromaticContact CE1-CD2 3.67Å; F415-Y502 HydrophobicContact CE1-CD2 3.67Å; F415-Y502 HydrophobicContact CE1-CE2 4.27Å; F415-Y502 AromaticContact CE1-CG 3.87Å; F415-Y502 HydrophobicContact CE1-CG 3.87Å; F415-Y502 HydrophobicContact CZ-CD2 4.43Å; C416-Y502 HydrophobicContact CB-CD1 4.43Å; C416-Y502 HydrophobicContact CB-CE1 4.38Å; I498-Y502 PolarHBondContact O-N 3.28Å; S499-Y502 WeakPolarHBondContact O-CB 3.32Å; S499-Y502 PolarHBondContact O-N 3.49Å; Y502-L506 PolarHBondContact O-N 2.95Å; Y502-K507 HydrophobicContact CE1-CD 4.28Å; Y502-K507 WeakPolarHBondContact O-CB 3.29Å; Y502-K507 PolarHBondContact O-N 2.87Å; Y502-L512 HydrophobicContact CD2-CD1 4.17Å; Y502-L512 HydrophobicContact CE2-CD1 3.74Å; Y502-Y535 HydrophobicContact CE2-CE2 4.14Å; Y502-I538 HydrophobicContact CD2-CD1 4.48Å
503N93.4Very high94.5Very high64 Ų6431.8 Ų31.834%0.34219%0.188SC..Iπ-helixtrans-74-33.5-178-90.6-56.2000113.1C416 K507C416-N503 PolarHBondContact O-ND2 2.81Å; N503-K507 WeakPolarHBondContact OD1-CD 3.38Å; N503-K507 PolarHBondContact OD1-NZ 2.97Å
504S91.6Very high94.3Very high89 Ų8927.1 Ų27.162%0.62217%0.167SC*.Iπ-helixtrans-81.7-31.9-173.557.40000113.8T500T500-S504 PolarHBondContact O-OG 2.8Å
505V93.2Very high93.6Very high45 Ų4529.5 Ų29.527%0.27318%0.182SC..Iπ-helixtrans-127.8-56.8-172.7-178.20000111.3S501 N509 L647S501-V505 WeakPolarHBondContact O-CA 3.38Å; S501-V505 WeakPolarHBondContact O-CB 3.35Å; S501-V505 PolarHBondContact O-N 3.24Å; V505-N509 VanDerWaalsContact O-CB 3.27Å; V505-N509 WeakPolarHBondContact O-CB 3.45Å; V505-N509 PolarHBondContact O-N 3.42Å; V505-N509 PolarHBondContact O-ND2 3.24Å; V505-L647 HydrophobicContact CG1-CB 4.24Å; V505-L647 HydrophobicContact CG1-CD2 3.89Å; V505-L647 HydrophobicContact CG1-CG 4.45Å
506L95.4Very high92.6Very high0 Ų034.2 Ų34.20%021%0.213CC..Iπ-helixtrans-70.1-50.2-166-59.3177.7000112.3I498 S501 Y502 G508 N509 L510 L512 I538 L647 I648I498-L506 HydrophobicContact CG2-CD1 3.77Å; S501-L506 PolarHBondContact O-N 2.9Å; Y502-L506 PolarHBondContact O-N 2.95Å; L506-G508 PolarHBondContact O-N 3.03Å; L506-N509 PolarHBondContact O-N 3.46Å; L506-L510 HydrophobicContact CB-CD1 4.37Å; L506-L510 HydrophobicContact CD2-CD1 4Å; L506-L510 WeakPolarHBondContact O-CA 3.5Å; L506-L510 VanDerWaalsContact O-CB 3.24Å; L506-L510 WeakPolarHBondContact O-CB 3.39Å; L506-L510 PolarHBondContact O-N 3.22Å; L506-L512 HydrophobicContact CB-CD1 4.09Å; L506-I538 HydrophobicContact CD1-CD1 4.24Å; L506-L647 HydrophobicContact CD2-CB 3.99Å; L506-L647 WeakPolarHBondContact CD2-O 3.4Å; L506-I648 HydrophobicContact CD2-CG1 4.09Å
507K94.3Very high91.2Very high35 Ų3539.8 Ų39.815%0.15224%0.243CC..Hα-helixtrans-53.5-49.4-173179.3175.1171.2176.70113.2I381 N382 Y502 N503 R511 L512 V513I381-K507 PolarHBondContact O-NZ 2.98Å; N382-K507 PolarHBondContact O-NZ 3.48Å; Y502-K507 HydrophobicContact CE1-CD 4.28Å; Y502-K507 WeakPolarHBondContact O-CB 3.29Å; Y502-K507 PolarHBondContact O-N 2.87Å; N503-K507 WeakPolarHBondContact OD1-CD 3.38Å; N503-K507 PolarHBondContact OD1-NZ 2.97Å; K507-R511 WeakPolarHBondContact O-CA 3.22Å; K507-R511 PolarHBondContact O-N 3.15Å; K507-L512 PolarHBondContact O-N 2.92Å; K507-V513 HydrophobicContact CD-CG2 4.31Å; K507-V513 HydrophobicContact CG-CG2 4.16Å
508G91.2Very high89.6Confident55 Ų5539 Ų3957%0.56724%0.241SC*.Hα-helixtrans-75-49.1178.500000113.2L506 L510 R511L506-G508 PolarHBondContact O-N 3.03Å; G508-L510 PolarHBondContact O-N 2.97Å; G508-R511 PolarHBondContact O-N 2.85Å
509N91.8Very high87.8Confident45 Ų4547.5 Ų47.524%0.24129%0.286CS..Hα-helixtrans-71.6-32.9-173.6-70.4-79.6000113.1V505 L506 Y551 R639 L647V505-N509 VanDerWaalsContact O-CB 3.27Å; V505-N509 WeakPolarHBondContact O-CB 3.45Å; V505-N509 PolarHBondContact O-N 3.42Å; V505-N509 PolarHBondContact O-ND2 3.24Å; L506-N509 PolarHBondContact O-N 3.46Å; N509-Y551 PolarHBondContact O-OH 3.05Å; N509-Y551 VanDerWaalsContact O-OH 3.09Å; N509-R639 PolarHBondContact OD1-NH1 3.44Å; N509-L647 HydrophobicContact CB-CD1 3.44Å; N509-L647 VanDerWaalsContact CB-CD1 3.44Å
510L92.2Very high86Confident2 Ų250.5 Ų50.51%0.0131%0.307CS..THydrogen-bonded Turntrans-91.71.6175-59.2-178.4000113.1L506 G508 L512 I538 R541 Y551 L644 L647 I648L506-L510 HydrophobicContact CB-CD1 4.37Å; L506-L510 HydrophobicContact CD2-CD1 4Å; L506-L510 WeakPolarHBondContact O-CA 3.5Å; L506-L510 VanDerWaalsContact O-CB 3.24Å; L506-L510 WeakPolarHBondContact O-CB 3.39Å; L506-L510 PolarHBondContact O-N 3.22Å; G508-L510 PolarHBondContact O-N 2.97Å; L510-L512 VanDerWaalsContact C-N 3.28Å; L510-L512 HydrophobicContact CB-CD2 3.63Å; L510-L512 HydrophobicContact CB-CG 3.89Å; L510-L512 HydrophobicContact CD1-CD2 4.36Å; L510-L512 PolarHBondContact O-N 2.94Å; L510-I538 HydrophobicContact CD1-CG2 4.49Å; L510-R541 HydrophobicContact CB-CB 4.43Å; L510-R541 HydrophobicContact CB-CG 4.36Å; L510-R541 WeakPolarHBondContact O-CG 3.41Å; L510-R541 PolarHBondContact O-NE 3.06Å; L510-Y551 VanDerWaalsContact CA-OH 3.26Å; L510-Y551 WeakPolarHBondContact CA-OH 3.48Å; L510-L644 HydrophobicContact CD2-CB 4.33Å; L510-L647 HydrophobicContact CD2-CD1 4.45Å; L510-I648 HydrophobicContact CD1-CD1 4.13Å; L510-I648 HydrophobicContact CD1-CG1 4.02Å
511R91Very high84.4Confident43 Ų4349 Ų4916%0.16230%0.298CS..THydrogen-bonded Turntrans46.252.7-176.5-62.7179.864.9-133.3-6.6111.6K507 G508 V513 E525 R541K507-R511 WeakPolarHBondContact O-CA 3.22Å; K507-R511 PolarHBondContact O-N 3.15Å; G508-R511 PolarHBondContact O-N 2.85Å; R511-V513 VanDerWaalsContact C-N 3.31Å; R511-E525 IonicContact CZ-OE1 3.28Å; R511-E525 IonicContact CZ-OE2 3.34Å; R511-E525 VanDerWaalsContact CZ-OE2 3.3Å; R511-E525 VanDerWaalsContact NH1-CD 3.32Å; R511-E525 IonicContact NH1-OE1 3.41Å; R511-E525 PolarHBondContact NH1-OE1 3.21Å; R511-E525 IonicContact NH1-OE2 3.59Å; R511-E525 PolarHBondContact NH1-OE2 3.35Å; R511-E525 IonicContact NH2-OE1 3.16Å; R511-E525 IonicContact NH2-OE2 2.71Å; R511-E525 PolarHBondContact NH2-OE2 3.48Å; R511-R541 PolarHBondContact O-NH2 3.33Å
512L94.7Very high83.5Confident0 Ų052.4 Ų52.40%032%0.315CS..  trans-73.7-25.1-174.8-58.7180000112.5Y502 L506 K507 L510 Y535 I536 I538 R541Y502-L512 HydrophobicContact CD2-CD1 4.17Å; Y502-L512 HydrophobicContact CE2-CD1 3.74Å; L506-L512 HydrophobicContact CB-CD1 4.09Å; K507-L512 PolarHBondContact O-N 2.92Å; L510-L512 VanDerWaalsContact C-N 3.28Å; L510-L512 HydrophobicContact CB-CD2 3.63Å; L510-L512 HydrophobicContact CB-CG 3.89Å; L510-L512 HydrophobicContact CD1-CD2 4.36Å; L510-L512 PolarHBondContact O-N 2.94Å; L512-Y535 HydrophobicContact CB-CD2 4.13Å; L512-Y535 HydrophobicContact CB-CE2 3.77Å; L512-Y535 HydrophobicContact CD1-CE2 4.29Å; L512-Y535 CarbonylContact O-C 3.5Å; L512-Y535 VanDerWaalsContact O-CA 3.26Å; L512-Y535 WeakPolarHBondContact O-CA 3.42Å; L512-Y535 VanDerWaalsContact O-CD2 3.31Å; L512-Y535 WeakPolarHBondContact O-CD2 3.2Å; L512-I536 WeakPolarHBondContact CD2-O 3.36Å; L512-I536 PolarHBondContact O-N 3.49Å; L512-I538 HydrophobicContact CD1-CD1 4.25Å; L512-I538 HydrophobicContact CD1-CG1 3.62Å; L512-I538 HydrophobicContact CD2-CG1 4.05Å; L512-R541 HydrophobicContact CD2-CB 4.45Å; L512-R541 HydrophobicContact CD2-CG 3.76Å
513V93.8Very high82.7Confident35 Ų3559.5 Ų59.521%0.21235%0.352CS..BIsolated β-bridgetrans-114.6128.3176.7178.80000109.1I381 K507 R511 G534 Y535I381-V513 HydrophobicContact CG2-CG2 3.55Å; K507-V513 HydrophobicContact CD-CG2 4.31Å; K507-V513 HydrophobicContact CG-CG2 4.16Å; R511-V513 VanDerWaalsContact C-N 3.31Å; V513-G534 WeakPolarHBondContact CA-O 3.45Å; V513-Y535 HydrophobicContact CG2-CD2 4.36Å
514I89.7Confident82.2Confident5 Ų557.9 Ų57.93%0.02635%0.346CS..  trans-112.5116.4-178.7-53.6-159.1000109.1V521 E525 G534 I536I514-V521 HydrophobicContact CG2-CG1 4.4Å; I514-V521 HydrophobicContact CG2-CG2 4.32Å; I514-E525 HydrophobicContact CD1-CG 3.22Å; I514-G534 PolarHBondContact N-O 3.21Å; I514-I536 HydrophobicContact CD1-CD1 3.56Å; I514-I536 HydrophobicContact CD1-CG1 4.2Å; I514-I536 HydrophobicContact CG1-CD1 4.38Å
515P81.6Confident82Confident63 Ų6354.4 Ų54.441%0.40932%0.32SS..  trans-61.7140174.1-21.232.4000111.2S518P515-S518 PolarHBondContact O-OG 3.01Å
516P74.5Confident81.7Confident98 Ų9855 Ų5564%0.63632%0.32SS*.THydrogen-bonded Turntrans-60.9145175.325.9-33.2000111.1S518P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.16Å
517N67.8Low81.5Confident142 Ų14256.9 Ų56.976%0.75934%0.335SS*.THydrogen-bonded Turntrans58.833.7175.4-57-22.5000115.1N519N517-N519 PolarHBondContact O-N 3.13Å
518S62.5Low81.3Confident26 Ų2655.2 Ų55.218%0.18233%0.329CS..  trans-75.8112.5174.258.50000111P515 P516 S520 V521P515-S518 PolarHBondContact O-OG 3.01Å; P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.16Å; S518-S520 PolarHBondContact O-N 2.89Å; S518-V521 PolarHBondContact O-N 3.39Å; S518-V521 WeakPolarHBondContact OG-CB 3.13Å; S518-V521 WeakPolarHBondContact OG-CG2 3.32Å
519N60.1Low81.5Confident178 Ų17852.6 Ų52.695%0.95230%0.302SS*.THydrogen-bonded Turntrans-58.9-6.1179-68.9-17.5000114.9N517N517-N519 PolarHBondContact O-N 3.13Å
520S59.3Low81.6Confident63 Ų6351.5 Ų51.544%0.44130%0.297SS..THydrogen-bonded Turntrans-106.98.5-174.960.50000114.1S518S518-S520 PolarHBondContact O-N 2.89Å
521V63.4Low81.8Confident19 Ų1951.6 Ų51.612%0.11530%0.298CS..SBendtrans-114.3137.4-173.6173.20000110.8I514 S518 E525 Q526I514-V521 HydrophobicContact CG2-CG1 4.4Å; I514-V521 HydrophobicContact CG2-CG2 4.32Å; S518-V521 PolarHBondContact O-N 3.39Å; S518-V521 WeakPolarHBondContact OG-CB 3.13Å; S518-V521 WeakPolarHBondContact OG-CG2 3.32Å; V521-E525 HydrophobicContact CG1-CB 3.73Å; V521-E525 HydrophobicContact CG1-CG 3.66Å; V521-E525 WeakPolarHBondContact CG1-OE2 3.4Å; V521-Q526 HydrophobicContact CG1-CB 4.24Å
522N76.1Confident82.1Confident94 Ų9449.8 Ų49.850%0.50329%0.291SS..  trans-66.5144.9175.2-64.9-0.6000110.3S524 E525 Q526N522-S524 PolarHBondContact O-N 3.43Å; N522-S524 VanDerWaalsContact O-N 3.13Å; N522-E525 PolarHBondContact O-N 2.92Å; N522-Q526 PolarHBondContact O-N 2.83Å; N522-Q526 VanDerWaalsContact O-N 3.08Å
523D80Confident82Confident148 Ų14851 Ų5179%0.79130%0.3SS*.Hα-helixtrans-53.6-37.1-179.7-67.7-24.6000112.7Q526 A527D523-Q526 PolarHBondContact O-N 2.98Å; D523-A527 WeakPolarHBondContact O-CB 3.46Å; D523-A527 PolarHBondContact O-N 2.87Å
524S82.4Confident82Confident31 Ų3150.1 Ų50.122%0.21730%0.297CS..Hα-helixtrans-66.1-36.5177.158.80000113.5N522 A528N522-S524 PolarHBondContact O-N 3.43Å; N522-S524 VanDerWaalsContact O-N 3.13Å; S524-A528 WeakPolarHBondContact O-CB 3.2Å; S524-A528 PolarHBondContact O-N 2.9Å
525E86Confident82.4Confident15 Ų1549.9 Ų49.97%0.0730%0.296CS..Hα-helixtrans-73.6-39177.9173.1170.6-122.300110.8R511 I514 V521 N522 A528 S529 I536 R541R511-E525 IonicContact CZ-OE1 3.28Å; R511-E525 IonicContact CZ-OE2 3.34Å; R511-E525 VanDerWaalsContact CZ-OE2 3.3Å; R511-E525 VanDerWaalsContact NH1-CD 3.32Å; R511-E525 IonicContact NH1-OE1 3.41Å; R511-E525 PolarHBondContact NH1-OE1 3.21Å; R511-E525 IonicContact NH1-OE2 3.59Å; R511-E525 PolarHBondContact NH1-OE2 3.35Å; R511-E525 IonicContact NH2-OE1 3.16Å; R511-E525 IonicContact NH2-OE2 2.71Å; R511-E525 PolarHBondContact NH2-OE2 3.48Å; I514-E525 HydrophobicContact CD1-CG 3.22Å; V521-E525 HydrophobicContact CG1-CB 3.73Å; V521-E525 HydrophobicContact CG1-CG 3.66Å; V521-E525 WeakPolarHBondContact CG1-OE2 3.4Å; N522-E525 PolarHBondContact O-N 2.92Å; E525-A528 PolarHBondContact O-N 2.85Å; E525-S529 PolarHBondContact O-N 3.48Å; E525-S529 PolarHBondContact O-OG 3.01Å; E525-I536 HydrophobicContact CG-CD1 4.07Å; E525-R541 IonicContact OE1-CZ 3.35Å; E525-R541 VanDerWaalsContact OE1-CZ 3.28Å; E525-R541 IonicContact OE1-NH1 3.12Å; E525-R541 PolarHBondContact OE1-NH1 3.21Å; E525-R541 IonicContact OE1-NH2 2.89Å; E525-R541 PolarHBondContact OE1-NH2 2.89Å
526Q88.5Confident83.1Confident57 Ų5747 Ų4727%0.26628%0.277SS..Hα-helixtrans-63.8-44.1172.8-172.961.254.200111V521 N522 D523 S529 S530V521-Q526 HydrophobicContact CG1-CB 4.24Å; N522-Q526 PolarHBondContact O-N 2.83Å; N522-Q526 VanDerWaalsContact O-N 3.08Å; D523-Q526 PolarHBondContact O-N 2.98Å; Q526-S529 PolarHBondContact O-N 2.64Å; Q526-S529 PolarHBondContact O-OG 3.35Å; Q526-S530 PolarHBondContact O-N 3.43Å; Q526-S530 VanDerWaalsContact O-N 3.14Å
527A89.9Confident84.2Confident40 Ų4042.3 Ų42.333%0.33125%0.247SC..Hα-helixtrans-58.7-50.5174.700000111.3D523 S529 S530 T702D523-A527 WeakPolarHBondContact O-CB 3.46Å; D523-A527 PolarHBondContact O-N 2.87Å; A527-S529 PolarHBondContact O-N 3.29Å; A527-S530 WeakPolarHBondContact O-CB 3.38Å; A527-S530 PolarHBondContact O-N 3.45Å; A527-S530 VanDerWaalsContact O-N 3.14Å; A527-S530 PolarHBondContact O-OG 3.37Å; A527-T702 HydrophobicContact CB-CG2 4.03Å
528A91.8Very high85.6Confident1 Ų135.5 Ų35.51%0.00821%0.211CC..Hα-helixtrans-58-45.8178.500000112.9S524 E525 S530 L531 I536 I699S524-A528 WeakPolarHBondContact O-CB 3.2Å; S524-A528 PolarHBondContact O-N 2.9Å; E525-A528 PolarHBondContact O-N 2.85Å; A528-S530 PolarHBondContact O-N 3.16Å; A528-L531 PolarHBondContact O-N 2.96Å; A528-I536 HydrophobicContact CB-CD1 4.28Å; A528-I699 HydrophobicContact CB-CG1 4.38Å; A528-I699 HydrophobicContact CB-CG2 3.92Å
529S93.6Very high87.2Confident0 Ų034.3 Ų34.30%020%0.202CC..Hα-helixtrans-64.2-31178.9720000112.9E525 Q526 A527 L531 F532 S533 G534 Y535E525-S529 PolarHBondContact O-N 3.48Å; E525-S529 PolarHBondContact O-OG 3.01Å; Q526-S529 PolarHBondContact O-N 2.64Å; Q526-S529 PolarHBondContact O-OG 3.35Å; A527-S529 PolarHBondContact O-N 3.29Å; S529-L531 PolarHBondContact O-N 3.28Å; S529-F532 CarbonylContact O-C 3.58Å; S529-F532 PolarHBondContact O-N 2.88Å; S529-S533 PolarHBondContact O-N 3.45Å; S529-G534 CarbonylContact O-C 3.34Å; S529-G534 WeakPolarHBondContact O-CA 3.26Å; S529-G534 PolarHBondContact O-N 3.29Å; S529-Y535 PolarHBondContact O-N 3.2Å
530S94.2Very high89Confident21 Ų2125.8 Ų25.815%0.14716%0.157CC..Hα-helixtrans-67.3-20.1-177.981.90000113.3Q526 A527 A528 F532 S533Q526-S530 PolarHBondContact O-N 3.43Å; Q526-S530 VanDerWaalsContact O-N 3.14Å; A527-S530 WeakPolarHBondContact O-CB 3.38Å; A527-S530 PolarHBondContact O-N 3.45Å; A527-S530 VanDerWaalsContact O-N 3.14Å; A527-S530 PolarHBondContact O-OG 3.37Å; A528-S530 PolarHBondContact O-N 3.16Å; S530-F532 VanDerWaalsContact C-N 3.31Å; S530-F532 PolarHBondContact O-N 2.91Å; S530-S533 PolarHBondContact O-N 3.44Å
531L96.3Very high90.6Very high5 Ų522.8 Ų22.83%0.02614%0.136CC..THydrogen-bonded Turntrans-75.1-19.3-178.4-56.3-171.8000113.4L256 T257 K303 A528 S529 I699L256-L531 WeakPolarHBondContact CB-O 3.32Å; L256-L531 PolarHBondContact N-O 3.46Å; T257-L531 HydrophobicContact CG2-CB 4.12Å; T257-L531 HydrophobicContact CG2-CD1 3.74Å; T257-L531 HydrophobicContact CG2-CD2 3.69Å; T257-L531 HydrophobicContact CG2-CG 4.03Å; K303-L531 HydrophobicContact CB-CD2 4.06Å; A528-L531 PolarHBondContact O-N 2.96Å; S529-L531 PolarHBondContact O-N 3.28Å; L531-I699 HydrophobicContact CB-CD1 4.32Å; L531-I699 HydrophobicContact CB-CG1 4.15Å; L531-I699 HydrophobicContact CD1-CG1 3.72Å; L531-I699 HydrophobicContact CG-CG1 4.36Å
532F97.1Very high92.1Very high4 Ų422 Ų222%0.01813%0.131CC..THydrogen-bonded Turntrans-124.540167.1-71.3-76.2000111.4T250 L253 N254 Q255 S529 S530 G534 Y535 P537 A695 E696 I699T250-F532 HydrophobicContact CG2-CE1 4.1Å; T250-F532 HydrophobicContact CG2-CE2 4.01Å; T250-F532 HydrophobicContact CG2-CZ 3.64Å; L253-F532 HydrophobicContact CB-CD1 3.86Å; L253-F532 HydrophobicContact CB-CE1 4.21Å; L253-F532 HydrophobicContact CD1-CD1 4.32Å; N254-F532 WeakPolarHBondContact O-CD1 3.31Å; Q255-F532 HydrophobicContact CG-CE1 3.99Å; Q255-F532 HydrophobicContact CG-CZ 4.33Å; S529-F532 CarbonylContact O-C 3.58Å; S529-F532 PolarHBondContact O-N 2.88Å; S530-F532 VanDerWaalsContact C-N 3.31Å; S530-F532 PolarHBondContact O-N 2.91Å; F532-G534 PolarHBondContact O-N 2.91Å; F532-Y535 HydrophobicContact CB-CD1 4.16Å; F532-Y535 WeakPolarHBondContact CB-O 3.44Å; F532-Y535 WeakPolarHBondContact O-CB 3.3Å; F532-Y535 PolarHBondContact O-N 3.35Å; F532-P537 HydrophobicContact CD2-CG 3.75Å; F532-P537 HydrophobicContact CE2-CG 3.65Å; F532-A695 HydrophobicContact CD2-CB 4.45Å; F532-A695 HydrophobicContact CE1-CB 4.15Å; F532-A695 HydrophobicContact CE2-CB 3.67Å; F532-A695 HydrophobicContact CZ-CB 3.5Å; F532-A695 VanDerWaalsContact CZ-CB 3.5Å; F532-E696 HydrophobicContact CE2-CG 4.29Å; F532-E696 HydrophobicContact CZ-CG 4.43Å; F532-I699 HydrophobicContact CD2-CD1 3.61Å; F532-I699 HydrophobicContact CE2-CD1 3.75Å
533S94.2Very high93Very high26 Ų2617.6 Ų17.618%0.18211%0.107CC..THydrogen-bonded Turntrans60.139.9170.3-141.10000115.9Q378 S529 S530Q378-S533 PolarHBondContact NE2-O 3.26Å; Q378-S533 PolarHBondContact NE2-OG 2.79Å; S529-S533 PolarHBondContact O-N 3.45Å; S530-S533 PolarHBondContact O-N 3.44Å
534G93.7Very high93.5Very high16 Ų1610.8 Ų10.817%0.1657%0.071CC..THydrogen-bonded Turntrans97.10.6-178.500000113.9V513 I514 S529 F532V513-G534 WeakPolarHBondContact CA-O 3.45Å; I514-G534 PolarHBondContact N-O 3.21Å; S529-G534 CarbonylContact O-C 3.34Å; S529-G534 WeakPolarHBondContact O-CA 3.26Å; S529-G534 PolarHBondContact O-N 3.29Å; F532-G534 PolarHBondContact O-N 2.91Å
535Y96.5Very high93.9Very high1 Ų19.4 Ų9.40%0.0046%0.061CC..BIsolated β-bridgetrans-102.5141.1177.5178.1-104.6000111.9L249 L253 I381 Y502 L512 V513 S529 F532 P537L249-Y535 HydrophobicContact CD2-CE2 4.21Å; L253-Y535 HydrophobicContact CD1-CD1 3.46Å; L253-Y535 VanDerWaalsContact CD1-CD1 3.46Å; L253-Y535 HydrophobicContact CD1-CE1 3.71Å; L253-Y535 HydrophobicContact CD1-CG 4.21Å; I381-Y535 HydrophobicContact CD1-CG 4.44Å; I381-Y535 HydrophobicContact CG2-CD2 4.02Å; Y502-Y535 HydrophobicContact CE2-CE2 4.14Å; L512-Y535 HydrophobicContact CB-CD2 4.13Å; L512-Y535 HydrophobicContact CB-CE2 3.77Å; L512-Y535 HydrophobicContact CD1-CE2 4.29Å; L512-Y535 CarbonylContact O-C 3.5Å; L512-Y535 VanDerWaalsContact O-CA 3.26Å; L512-Y535 WeakPolarHBondContact O-CA 3.42Å; L512-Y535 VanDerWaalsContact O-CD2 3.31Å; L512-Y535 WeakPolarHBondContact O-CD2 3.2Å; V513-Y535 HydrophobicContact CG2-CD2 4.36Å; S529-Y535 PolarHBondContact O-N 3.2Å; F532-Y535 HydrophobicContact CB-CD1 4.16Å; F532-Y535 WeakPolarHBondContact CB-O 3.44Å; F532-Y535 WeakPolarHBondContact O-CB 3.3Å; F532-Y535 PolarHBondContact O-N 3.35Å; Y535-P537 HydrophobicContact CE1-CB 4.39Å; Y535-P537 HydrophobicContact CE1-CG 4.34Å
536I96.2Very high94.1Very high1 Ų19.1 Ų9.11%0.0056%0.059CC..  trans-112.4124.8167.1-62.7-171.3000108.3L512 I514 E525 A528 I540 R541L512-I536 WeakPolarHBondContact CD2-O 3.36Å; L512-I536 PolarHBondContact O-N 3.49Å; I514-I536 HydrophobicContact CD1-CD1 3.56Å; I514-I536 HydrophobicContact CD1-CG1 4.2Å; I514-I536 HydrophobicContact CG1-CD1 4.38Å; E525-I536 HydrophobicContact CG-CD1 4.07Å; A528-I536 HydrophobicContact CB-CD1 4.28Å; I536-I540 HydrophobicContact CG2-CB 4.14Å; I536-I540 HydrophobicContact CG2-CG2 3.92Å; I536-R541 HydrophobicContact CG2-CG 4.02Å
537P97.9Very high94.1Very high0 Ų06.5 Ų6.50%05%0.047CC..  trans-53.7146.2180-29.936.8000114.8D247 T250 F532 Y535 S539 I540 R541 E696 I699D247-P537 WeakPolarHBondContact OD2-CB 3.39Å; T250-P537 HydrophobicContact CG2-CB 3.91Å; T250-P537 HydrophobicContact CG2-CG 3.63Å; T250-P537 WeakPolarHBondContact OG1-CB 3.37Å; F532-P537 HydrophobicContact CD2-CG 3.75Å; F532-P537 HydrophobicContact CE2-CG 3.65Å; Y535-P537 HydrophobicContact CE1-CB 4.39Å; Y535-P537 HydrophobicContact CE1-CG 4.34Å; P537-S539 WeakPolarHBondContact CB-OG 3.49Å; P537-S539 PolarHBondContact O-N 2.86Å; P537-I540 HydrophobicContact CB-CB 4.17Å; P537-I540 HydrophobicContact CB-CG1 3.8Å; P537-I540 HydrophobicContact CG-CG1 3.93Å; P537-I540 PolarHBondContact O-N 3.45Å; P537-R541 PolarHBondContact O-N 3.43Å; P537-E696 HydrophobicContact CB-CG 4.41Å; P537-E696 HydrophobicContact CG-CG 4.07Å; P537-I699 HydrophobicContact CG-CD1 4.19Å
538I97.7Very high93.1Very high0 Ų09 Ų90%06%0.055CC..Hα-helixtrans-61.1-39.6173-64.3164.2000109.6D247 F415 I498 Y502 L506 L510 L512 I540 R541 L542 I648D247-I538 HydrophobicContact CB-CB 3.87Å; D247-I538 HydrophobicContact CB-CG2 4.4Å; D247-I538 PolarHBondContact OD2-N 3.48Å; F415-I538 HydrophobicContact CZ-CD1 4.38Å; I498-I538 HydrophobicContact CG2-CD1 4.19Å; Y502-I538 HydrophobicContact CD2-CD1 4.48Å; L506-I538 HydrophobicContact CD1-CD1 4.24Å; L510-I538 HydrophobicContact CD1-CG2 4.49Å; L512-I538 HydrophobicContact CD1-CD1 4.25Å; L512-I538 HydrophobicContact CD1-CG1 3.62Å; L512-I538 HydrophobicContact CD2-CG1 4.05Å; I538-I540 VanDerWaalsContact C-N 3.33Å; I538-I540 PolarHBondContact O-N 3Å; I538-R541 PolarHBondContact O-N 2.89Å; I538-L542 WeakPolarHBondContact O-CB 3.33Å; I538-L542 PolarHBondContact O-N 3.18Å; I538-I648 HydrophobicContact CG2-CD1 3.56Å; I538-I648 HydrophobicContact CG2-CG1 4.01Å
539S97.4Very high91.5Very high0 Ų013.5 Ų13.50%08%0.079CC..Hα-helixtrans-56.6-46.4175.960.50000111.8D247 P537 L542 I543 E696D247-S539 PolarHBondContact OD2-N 3.08Å; D247-S539 PolarHBondContact OD2-OG 3.28Å; P537-S539 WeakPolarHBondContact CB-OG 3.49Å; P537-S539 PolarHBondContact O-N 2.86Å; S539-L542 WeakPolarHBondContact O-CB 3.39Å; S539-L542 PolarHBondContact O-N 3.33Å; S539-I543 VanDerWaalsContact O-CG1 3.32Å; S539-I543 WeakPolarHBondContact O-CG1 3.48Å; S539-I543 PolarHBondContact O-N 3.47Å; S539-I543 VanDerWaalsContact O-N 3.13Å; S539-E696 PolarHBondContact OG-OE1 3.37Å
540I96.1Very high89.9Confident0 Ų015.6 Ų15.60%09%0.087CC..Hα-helixtrans-63.4-51.9178.4-63.7-61.1000110.4I536 P537 I538 L542 I543 Q544 E696 I699 L700 I703I536-I540 HydrophobicContact CG2-CB 4.14Å; I536-I540 HydrophobicContact CG2-CG2 3.92Å; P537-I540 HydrophobicContact CB-CB 4.17Å; P537-I540 HydrophobicContact CB-CG1 3.8Å; P537-I540 HydrophobicContact CG-CG1 3.93Å; P537-I540 PolarHBondContact O-N 3.45Å; I538-I540 VanDerWaalsContact C-N 3.33Å; I538-I540 PolarHBondContact O-N 3Å; I540-L542 PolarHBondContact O-N 3.39Å; I540-I543 HydrophobicContact CD1-CD1 4.47Å; I540-I543 WeakPolarHBondContact O-CA 3.21Å; I540-I543 WeakPolarHBondContact O-CB 3.25Å; I540-I543 PolarHBondContact O-N 3.04Å; I540-Q544 HydrophobicContact CG2-CG 4.35Å; I540-Q544 WeakPolarHBondContact O-CG 3.47Å; I540-Q544 PolarHBondContact O-N 3.35Å; I540-E696 HydrophobicContact CD1-CB 4.38Å; I540-E696 WeakPolarHBondContact CD1-O 3.46Å; I540-I699 HydrophobicContact CB-CG2 4.33Å; I540-I699 HydrophobicContact CD1-CB 4.28Å; I540-I699 HydrophobicContact CD1-CG2 4.03Å; I540-I699 HydrophobicContact CG1-CB 4.37Å; I540-I699 HydrophobicContact CG1-CG2 3.91Å; I540-I699 HydrophobicContact CG2-CG2 3.59Å; I540-L700 HydrophobicContact CD1-CD1 4.4Å; I540-L700 HydrophobicContact CD1-CD2 3.65Å; I540-L700 HydrophobicContact CD1-CG 3.63Å; I540-I703 HydrophobicContact CG2-CD1 3.55Å
541R94Very high88.6Confident0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-57.4-38.7179.3-69.8-53.9-159.4179.5-0.4112.5L510 R511 L512 E525 I536 P537 I538 I543 Q544 V545L510-R541 HydrophobicContact CB-CB 4.43Å; L510-R541 HydrophobicContact CB-CG 4.36Å; L510-R541 WeakPolarHBondContact O-CG 3.41Å; L510-R541 PolarHBondContact O-NE 3.06Å; R511-R541 PolarHBondContact O-NH2 3.33Å; L512-R541 HydrophobicContact CD2-CB 4.45Å; L512-R541 HydrophobicContact CD2-CG 3.76Å; E525-R541 IonicContact OE1-CZ 3.35Å; E525-R541 VanDerWaalsContact OE1-CZ 3.28Å; E525-R541 IonicContact OE1-NH1 3.12Å; E525-R541 PolarHBondContact OE1-NH1 3.21Å; E525-R541 IonicContact OE1-NH2 2.89Å; E525-R541 PolarHBondContact OE1-NH2 2.89Å; I536-R541 HydrophobicContact CG2-CG 4.02Å; P537-R541 PolarHBondContact O-N 3.43Å; I538-R541 PolarHBondContact O-N 2.89Å; R541-I543 VanDerWaalsContact C-N 3.34Å; R541-I543 PolarHBondContact O-N 3.49Å; R541-Q544 PolarHBondContact O-N 3.22Å; R541-V545 VanDerWaalsContact O-CG2 3.27Å; R541-V545 WeakPolarHBondContact O-CG2 3.48Å; R541-V545 PolarHBondContact O-N 3.33Å
542L94.8Very high87.1Confident2 Ų216.9 Ų16.91%0.019%0.092CC..Hα-helixtrans-60.6-43.2174.6177.361.4000112K198 I242 V246 I538 S539 I540 V545 W546 I648K198-L542 HydrophobicContact CB-CD2 3.66Å; K198-L542 HydrophobicContact CG-CD2 3.74Å; I242-L542 HydrophobicContact CD1-CD2 4.39Å; I242-L542 HydrophobicContact CG1-CD2 4.38Å; V246-L542 HydrophobicContact CG1-CD2 4.16Å; I538-L542 WeakPolarHBondContact O-CB 3.33Å; I538-L542 PolarHBondContact O-N 3.18Å; S539-L542 WeakPolarHBondContact O-CB 3.39Å; S539-L542 PolarHBondContact O-N 3.33Å; I540-L542 PolarHBondContact O-N 3.39Å; L542-V545 PolarHBondContact O-N 3.27Å; L542-W546 HydrophobicContact CD1-CD2 3.89Å; L542-W546 HydrophobicContact CD1-CE3 4.32Å; L542-W546 HydrophobicContact CD1-CG 4.39Å; L542-W546 HydrophobicContact CD1-CH2 4.37Å; L542-W546 HydrophobicContact CD1-CZ2 3.86Å; L542-W546 HydrophobicContact CD2-CH2 4.41Å; L542-W546 HydrophobicContact CD2-CZ3 4.37Å; L542-W546 HydrophobicContact CG-CD2 4.26Å; L542-W546 HydrophobicContact CG-CE3 4.23Å; L542-W546 HydrophobicContact CG-CZ3 4.4Å; L542-W546 PolarHBondContact O-N 2.76Å; L542-I648 HydrophobicContact CB-CD1 4.06Å; L542-I648 HydrophobicContact CD1-CD1 4.19Å; L542-I648 HydrophobicContact CD2-CD1 4.43Å; L542-I648 HydrophobicContact CG-CD1 4.46Å
543I94.6Very high85.1Confident1 Ų125.2 Ų25.21%0.00513%0.128CC..Hα-helixtrans-60.3-49.5175.7-64.5161.4000110I240 I242 S539 I540 R541 V545 W546 T547 V686 F688 L700 F713I240-I543 HydrophobicContact CD1-CG2 4.26Å; I240-I543 HydrophobicContact CG2-CG1 4.35Å; I242-I543 HydrophobicContact CD1-CD1 3.73Å; I242-I543 HydrophobicContact CD1-CG1 3.52Å; S539-I543 VanDerWaalsContact O-CG1 3.32Å; S539-I543 WeakPolarHBondContact O-CG1 3.48Å; S539-I543 PolarHBondContact O-N 3.47Å; S539-I543 VanDerWaalsContact O-N 3.13Å; I540-I543 HydrophobicContact CD1-CD1 4.47Å; I540-I543 WeakPolarHBondContact O-CA 3.21Å; I540-I543 WeakPolarHBondContact O-CB 3.25Å; I540-I543 PolarHBondContact O-N 3.04Å; R541-I543 VanDerWaalsContact C-N 3.34Å; R541-I543 PolarHBondContact O-N 3.49Å; I543-V545 VanDerWaalsContact C-N 3.28Å; I543-V545 PolarHBondContact O-N 3.19Å; I543-W546 PolarHBondContact O-N 2.8Å; I543-W546 VanDerWaalsContact O-N 3.08Å; I543-T547 HydrophobicContact CG2-CG2 4.26Å; I543-T547 WeakPolarHBondContact O-CG2 3.23Å; I543-T547 PolarHBondContact O-N 3.19Å; I543-T547 PolarHBondContact O-OG1 2.95Å; I543-T547 VanDerWaalsContact O-OG1 3.12Å; I543-V686 HydrophobicContact CD1-CG1 3.55Å; I543-V686 HydrophobicContact CD1-CG2 4.37Å; I543-V686 HydrophobicContact CG1-CG1 4.16Å; I543-V686 HydrophobicContact CG2-CG2 4.31Å; I543-F688 HydrophobicContact CD1-CZ 4.03Å; I543-L700 HydrophobicContact CB-CD2 4.45Å; I543-L700 HydrophobicContact CD1-CD1 4.21Å; I543-L700 HydrophobicContact CD1-CD2 3.81Å; I543-L700 HydrophobicContact CG2-CD2 4.02Å; I543-F713 HydrophobicContact CG2-CE1 3.82Å; I543-F713 HydrophobicContact CG2-CZ 4.05Å
544Q91.1Very high83Confident6 Ų627.4 Ų27.43%0.02814%0.141CC..Hα-helixtrans-55.8-42.9177.9-51.5-174.3-39.600112I540 R541 W546 T547 W550 Y551 I703I540-Q544 HydrophobicContact CG2-CG 4.35Å; I540-Q544 WeakPolarHBondContact O-CG 3.47Å; I540-Q544 PolarHBondContact O-N 3.35Å; R541-Q544 PolarHBondContact O-N 3.22Å; Q544-W546 VanDerWaalsContact C-N 3.35Å; Q544-T547 PolarHBondContact O-OG1 2.88Å; Q544-T547 VanDerWaalsContact O-OG1 3.09Å; Q544-W550 HydrophobicContact CB-CH2 3.85Å; Q544-W550 HydrophobicContact CB-CZ2 3.89Å; Q544-W550 HydrophobicContact CB-CZ3 4.39Å; Q544-W550 HydrophobicContact CG-CH2 3.17Å; Q544-W550 HydrophobicContact CG-CZ2 3.61Å; Q544-W550 HydrophobicContact CG-CZ3 3.87Å; Q544-Y551 HydrophobicContact CB-CD2 4.11Å; Q544-I703 HydrophobicContact CG-CD1 4.44Å
545V90.1Very high80.3Confident2 Ų230.8 Ų30.81%0.01216%0.156CC..Hα-helixtrans-64.7-38.7178.9168.70000111.5R541 L542 I543 N548 Y551 T641 L644R541-V545 VanDerWaalsContact O-CG2 3.27Å; R541-V545 WeakPolarHBondContact O-CG2 3.48Å; R541-V545 PolarHBondContact O-N 3.33Å; L542-V545 PolarHBondContact O-N 3.27Å; I543-V545 VanDerWaalsContact C-N 3.28Å; I543-V545 PolarHBondContact O-N 3.19Å; V545-N548 PolarHBondContact O-OD1 3.49Å; V545-Y551 HydrophobicContact CG2-CD2 3.57Å; V545-Y551 HydrophobicContact CG2-CE2 3.75Å; V545-Y551 HydrophobicContact CG2-CG 4.14Å; V545-T641 VanDerWaalsContact CG1-O 3.25Å; V545-T641 WeakPolarHBondContact CG1-O 3.13Å; V545-L644 HydrophobicContact CG1-CB 4.17Å; V545-L644 HydrophobicContact CG2-CB 3.98Å; V545-L644 HydrophobicContact CG2-CD1 4.12Å
546W91.6Very high77.3Confident9 Ų938.1 Ų38.13%0.03419%0.194CC..Hα-helixtrans-82.3-22-177.8-79.1-4.8000114.6Y196 K198 I240 L542 I543 Q544 N548 S645 E652Y196-W546 HydrophobicContact CD2-CB 4.08Å; Y196-W546 HydrophobicContact CD2-CD2 4.12Å; Y196-W546 HydrophobicContact CD2-CE3 4.34Å; Y196-W546 HydrophobicContact CD2-CG 4.05Å; K198-W546 HydrophobicContact CB-CH2 3.55Å; K198-W546 HydrophobicContact CB-CZ2 4.23Å; K198-W546 HydrophobicContact CB-CZ3 4.23Å; K198-W546 HydrophobicContact CD-CH2 4.21Å; K198-W546 HydrophobicContact CD-CZ2 4.06Å; K198-W546 HydrophobicContact CG-CH2 4.37Å; I240-W546 HydrophobicContact CB-CE3 4.41Å; I240-W546 HydrophobicContact CD1-CB 4.01Å; I240-W546 HydrophobicContact CD1-CE3 4.37Å; I240-W546 HydrophobicContact CG1-CE3 4.14Å; I240-W546 HydrophobicContact CG2-CE3 3.62Å; I240-W546 HydrophobicContact CG2-CZ3 3.81Å; L542-W546 HydrophobicContact CD1-CD2 3.89Å; L542-W546 HydrophobicContact CD1-CE3 4.32Å; L542-W546 HydrophobicContact CD1-CG 4.39Å; L542-W546 HydrophobicContact CD1-CH2 4.37Å; L542-W546 HydrophobicContact CD1-CZ2 3.86Å; L542-W546 HydrophobicContact CD2-CH2 4.41Å; L542-W546 HydrophobicContact CD2-CZ3 4.37Å; L542-W546 HydrophobicContact CG-CD2 4.26Å; L542-W546 HydrophobicContact CG-CE3 4.23Å; L542-W546 HydrophobicContact CG-CZ3 4.4Å; L542-W546 PolarHBondContact O-N 2.76Å; I543-W546 PolarHBondContact O-N 2.8Å; I543-W546 VanDerWaalsContact O-N 3.08Å; Q544-W546 VanDerWaalsContact C-N 3.35Å; W546-N548 PolarHBondContact O-N 2.99Å; W546-S645 PolarHBondContact NE1-OG 2.96Å; W546-E652 HydrophobicContact CH2-CG 4.48Å; W546-E652 HydrophobicContact CZ2-CG 3.86Å
547T87.8Confident74.3Confident2 Ų242.1 Ų42.11%0.01222%0.222CC..SBendtrans-78.6-7.5172.552.90000113.5I240 I543 Q544 D549 R682 V684 F713I240-T547 HydrophobicContact CD1-CG2 4.18Å; I543-T547 HydrophobicContact CG2-CG2 4.26Å; I543-T547 WeakPolarHBondContact O-CG2 3.23Å; I543-T547 PolarHBondContact O-N 3.19Å; I543-T547 PolarHBondContact O-OG1 2.95Å; I543-T547 VanDerWaalsContact O-OG1 3.12Å; Q544-T547 PolarHBondContact O-OG1 2.88Å; Q544-T547 VanDerWaalsContact O-OG1 3.09Å; T547-D549 VanDerWaalsContact C-N 3.29Å; T547-D549 PolarHBondContact O-N 3.25Å; T547-D549 VanDerWaalsContact O-N 3.07Å; T547-R682 PolarHBondContact O-NH1 3.42Å; T547-V684 HydrophobicContact CG2-CG1 4.35Å; T547-V684 HydrophobicContact CG2-CG2 4.36Å; T547-F713 HydrophobicContact CG2-CE1 4.03Å; T547-F713 HydrophobicContact CG2-CZ 4.31Å
548N68.5Low71.1Confident93 Ų9348.1 Ų48.150%0.49725%0.254SS..  trans65.5-20.6172.6-87.4-22.1000119.4V545 W546 T641V545-N548 PolarHBondContact O-OD1 3.49Å; W546-N548 PolarHBondContact O-N 2.99Å; N548-T641 PolarHBondContact OD1-OG1 3.28Å; N548-T641 VanDerWaalsContact OD1-OG1 3.07Å
549D58.5Low67.9Low95 Ų9554.5 Ų54.551%0.50829%0.292SS..SBendtrans-92.9-20.5-161.1-66.6-21.1000116.9T547 R682T547-D549 VanDerWaalsContact C-N 3.29Å; T547-D549 PolarHBondContact O-N 3.25Å; T547-D549 VanDerWaalsContact O-N 3.07Å; D549-R682 IonicContact OD1-NH1 3.94Å; D549-R682 IonicContact OD2-CZ 3.15Å; D549-R682 IonicContact OD2-NH1 2.83Å; D549-R682 PolarHBondContact OD2-NH1 3.49Å
550W60.2Low64.5Low43 Ų4359.1 Ų59.116%0.16333%0.325CS..  trans-149.517.3-164.557.1-89.8000115Q544 P552 I703Q544-W550 HydrophobicContact CB-CH2 3.85Å; Q544-W550 HydrophobicContact CB-CZ2 3.89Å; Q544-W550 HydrophobicContact CB-CZ3 4.39Å; Q544-W550 HydrophobicContact CG-CH2 3.17Å; Q544-W550 HydrophobicContact CG-CZ2 3.61Å; Q544-W550 HydrophobicContact CG-CZ3 3.87Å; W550-P552 VanDerWaalsContact O-CD 3.26Å; W550-P552 WeakPolarHBondContact O-CD 3.27Å; W550-I703 HydrophobicContact CH2-CB 3.82Å; W550-I703 HydrophobicContact CH2-CD1 3.74Å; W550-I703 HydrophobicContact CH2-CG1 3.56Å; W550-I703 HydrophobicContact CH2-CG2 2.97Å; W550-I703 HydrophobicContact CZ2-CB 4.32Å; W550-I703 HydrophobicContact CZ2-CG1 4.49Å; W550-I703 HydrophobicContact CZ2-CG2 3.05Å; W550-I703 HydrophobicContact CZ3-CD1 4.5Å; W550-I703 HydrophobicContact CZ3-CG1 4.06Å; W550-I703 HydrophobicContact CZ3-CG2 3.89Å
551Y67.1Low61Low28 Ų2870.1 Ų70.111%0.1137%0.366CS..PPolyproline II helixtrans-58.5121.6175.3-177-92000110.8N509 L510 Q544 V545 K553 L644N509-Y551 PolarHBondContact O-OH 3.05Å; N509-Y551 VanDerWaalsContact O-OH 3.09Å; L510-Y551 VanDerWaalsContact CA-OH 3.26Å; L510-Y551 WeakPolarHBondContact CA-OH 3.48Å; Q544-Y551 HydrophobicContact CB-CD2 4.11Å; V545-Y551 HydrophobicContact CG2-CD2 3.57Å; V545-Y551 HydrophobicContact CG2-CE2 3.75Å; V545-Y551 HydrophobicContact CG2-CG 4.14Å; Y551-K553 PolarHBondContact O-N 3.47Å; Y551-L644 HydrophobicContact CD1-CD1 3.67Å; Y551-L644 HydrophobicContact CE1-CD1 3.34Å; Y551-L644 HydrophobicContact CE2-CD1 4.42Å; Y551-L644 HydrophobicContact CG-CD1 4.35Å
552P63.4Low57.7Low26 Ų2673.6 Ų73.617%0.16940%0.402CS..PPolyproline II helixtrans-61.6121.3-178.2-28.138.2000112W550W550-P552 VanDerWaalsContact O-CD 3.26Å; W550-P552 WeakPolarHBondContact O-CD 3.27Å
553K56.5Low54.4Low179 Ų17981.2 Ų81.278%0.77844%0.441SS*.PPolyproline II helixtrans-58.5138.7178.1-68.2-179.5-177.51730110.3Y551 N555Y551-K553 PolarHBondContact O-N 3.47Å; K553-N555 PolarHBondContact O-N 3.19Å; K553-N555 VanDerWaalsContact O-N 3.12Å
554P48.6Very low50.9Low72 Ų7286.9 Ų86.947%0.46848%0.476SS..  trans-65.2113.8177.623.5-30.5000110.9L556P554-L556 PolarHBondContact O-N 3.18Å
555N38.8Very low47.6Very low87 Ų8793 Ų9347%0.46551%0.509SS..  trans-73.1107.8166.6-79.9-33.9000108.7K553 S557K553-N555 PolarHBondContact O-N 3.19Å; K553-N555 VanDerWaalsContact O-N 3.12Å; N555-S557 PolarHBondContact O-N 3.23Å
556L33.3Very low44.3Very low154 Ų154101.8 Ų101.881%0.80655%0.55SS*.G310 helixtrans-69.19.5-178.7-112.786.7000114.8P554P554-L556 PolarHBondContact O-N 3.18Å
557S31.7Very low41Very low85 Ų85108 Ų10859%0.59459%0.589SS**G310 helixtrans-931.4-171.762.60000115.8N555N555-S557 PolarHBondContact O-N 3.23Å
558L31.7Very low37.7Very low127 Ų127114.1 Ų114.167%0.66563%0.627SS**G310 helixtrans-99.95.2-176.5-84.9155.7000115.4
559T29.8Very low35.6Very low133 Ų133117.3 Ų117.382%0.81664%0.643SS**SBendtrans-128.143.5171.963.90000112.4
560S26.1Very low33.7Very low97 Ų97118.9 Ų118.968%0.67866%0.656SS**  trans-167.473.8159.470.40000111.7
561R23Very low31.8Very low231 Ų231121 Ų12187%0.87269%0.691SS**  trans-128.984.7154.5-82-169.2177.7-172.7-0.3108.1I563R561-I563 PolarHBondContact O-N 3.35Å
562G24Very low29.6Very low73 Ų73123.2 Ų123.275%0.75372%0.723SS**  trans-60.2113.7153.400000106.9T564G562-T564 VanDerWaalsContact C-N 3.3Å; G562-T564 PolarHBondContact O-N 3.23Å
563I25.5Very low27.6Very low162 Ų162127.4 Ų127.483%0.83175%0.753SS**  trans-7889.2174.6-60.9174.2000106.3R561R561-I563 PolarHBondContact O-N 3.35Å
564T20.9Very low25.9Very low120 Ų120124.6 Ų124.674%0.73676%0.756SS**  trans-95.8112.4154.142.10000106.9G562G562-T564 VanDerWaalsContact C-N 3.3Å; G562-T564 PolarHBondContact O-N 3.23Å
565D22.1Very low24.7Very low136 Ų136124.8 Ų124.873%0.72777%0.771SS**  trans160.297.5148.8-80.4-14.8000107.1
566Q21Very low23.9Very low185 Ų185125.7 Ų125.786%0.86478%0.783SS**  4791.193.1-70.4-166.221.700113.7
567T22.7Very low23.3Very low140 Ų140127.3 Ų127.386%0.85978%0.784SS**  trans-152.6114.5135.340.10000110.3
568T19Very low23Very low130 Ų130130.3 Ų130.380%0.79879%0.793SS**  trans-47145.1159.3350000113.9
569L23.1Very low22.4Very low161 Ų161131.9 Ų131.984%0.84380%0.801SS**  trans170.592.3147.1-88.3156.8000107.6
570T19.5Very low22.1Very low128 Ų128131.1 Ų131.179%0.78580%0.801SS**  52.1106.398.164.60000117.2
571G19.7Very low21.8Very low86 Ų86135.5 Ų135.589%0.88781%0.808SS**  100.8130.9128.700000120.1
572G21.2Very low21.8Very low76 Ų76129.4 Ų129.478%0.78481%0.807SS**  trans105.892.3152.900000115.2
573S21.2Very low21.8Very low114 Ų114132 Ų13280%0.79781%0.809SS**  82.711384.2-1710000114.8
574S21.7Very low21.7Very low120 Ų120136.4 Ų136.484%0.83982%0.815SS**  trans34.6112.4139.5-53.50000120
575G23.2Very low21.7Very low76 Ų76137.8 Ų137.878%0.78482%0.816SS**  trans-160.291160.500000111.1
576S20.4Very low21.8Very low105 Ų105137.3 Ų137.373%0.73482%0.818SS**  trans-51.1157.4156.1-54.70000110.5
577F22.3Very low21.7Very low189 Ų189134 Ų13483%0.82982%0.815SS**  171.2113.7128.6-97.9-80.7000112.6
578L23.9Very low21.6Very low148 Ų148130.4 Ų130.478%0.77581%0.806SS**  trans51.1108.6139.3-60.7178.7000122.8
579L20.7Very low21.9Very low159 Ų159132.3 Ų132.383%0.83281%0.811SS**  trans-31.2126.2139.7-117.866.6000114.3
580S22.3Very low21.9Very low117 Ų117136.1 Ų136.182%0.81881%0.814SS**  trans-110.5104.3158.357.60000110.3
581K20.4Very low22.3Very low190 Ų190134.7 Ų134.783%0.82681%0.809SS**  trans-70.4125159.4-79.1177.2173178.60108.6
582A23.9Very low22.7Very low103 Ų103135.4 Ų135.485%0.85180%0.8SS**  trans-127.7102.3162.400000109.3
583T22.7Very low22.9Very low128 Ų128140.3 Ų140.379%0.78580%0.803SS**  trans-105.7124.3162.8-48.90000106.3
584R23Very low23.2Very low253 Ų253140.9 Ų140.996%0.95580%0.797SS**  trans-155.4143.9156.4-114.1-172.7-148.3-171.48.1113.1
585I22.2Very low23.5Very low149 Ų149139.2 Ų139.276%0.76478%0.778SS**  trans-93.8151-173.8-56.6166.4000108.7
586V22.9Very low23.6Very low126 Ų126144 Ų14476%0.76478%0.78SS**  trans142.2134.2131.9174.20000113.7
587S20.7Very low24.1Very low115 Ų115140.4 Ų140.480%0.80475%0.752SS**  trans-53.4149.116952.10000117
588G20.3Very low24.5Very low65 Ų65136.6 Ų136.667%0.6775%0.749SS**  trans122.7110.2155.500000114.2
589L25.5Very low25Very low171 Ų171130.7 Ų130.790%0.89572%0.719SS**  trans25.8103.7161.6-71.3118.4000116.5
590R23.1Very low25.5Very low241 Ų241126.2 Ų126.291%0.90970%0.695SS**  trans-163.2140.2147.8-103.4141-161.4-123.87.5113.3
591S27.4Very low25.7Very low98 Ų98125 Ų12569%0.68569%0.685SS**  trans-33.1130.4169.447.20000115.5E593S591-E593 PolarHBondContact O-N 3.48Å
592S27.2Very low26Very low100 Ų100122.1 Ų122.170%0.69968%0.683SS**  trans19.872.4148.3-56.40000116.6
593E26Very low26.1Very low180 Ų180125.5 Ų125.584%0.84168%0.679SS**  trans-90.9129.8151.5-72.4-172.3170.700107.5S591 L595S591-E593 PolarHBondContact O-N 3.48Å; E593-L595 PolarHBondContact O-N 3.08Å
594N27.4Very low26.1Very low126 Ų126126.6 Ų126.667%0.67468%0.68SS**  trans-56.5118.6-172.7-63.5-51.7000110.3E596N594-E596 PolarHBondContact O-N 3.48Å
595L27.9Very low26.1Very low85 Ų85122.7 Ų122.745%0.44567%0.672SS.*  trans-67.683.5166.6-75.9157000108.4E593 M597E593-L595 PolarHBondContact O-N 3.08Å; L595-M597 PolarHBondContact O-N 3.26Å
596E25.9Very low26.1Very low176 Ų176126.2 Ų126.282%0.82268%0.676SS**  trans-7392.1167-77.4-172.9168.700108.8N594 S598N594-E596 PolarHBondContact O-N 3.48Å; E596-S598 PolarHBondContact O-N 2.82Å
597M30.5Very low26.1Very low29 Ų29128 Ų12814%0.14368%0.681CS.*  trans-88.187.8169.5-77.1-159.6-79.200109.9F304 G308 Q362 L595F304-M597 HydrophobicContact CE1-SD 4.06Å; F304-M597 HydrophobicContact CZ-CE 4.38Å; F304-M597 HydrophobicContact CZ-SD 4.02Å; G308-M597 VanDerWaalsContact N-CE 3.34Å; Q362-M597 HydrophobicContact CB-SD 3.84Å; Q362-M597 HydrophobicContact CG-CG 4.26Å; Q362-M597 HydrophobicContact CG-SD 3.81Å; Q362-M597 PolarHBondContact OE1-SD 2.89Å; L595-M597 PolarHBondContact O-N 3.26Å
598S30.2Very low26.2Very low110 Ų110129.1 Ų129.177%0.76968%0.683SS**  trans-106.4111.2167.364.50000110E596E596-S598 PolarHBondContact O-N 2.82Å
599V35.1Very low26.5Very low24 Ų24131 Ų13115%0.14569%0.687CS.*  trans-112.4-15.7-175.1177.10000113.6V365 L371V365-V599 HydrophobicContact CB-CG1 4.23Å; V365-V599 HydrophobicContact CG2-CG1 3.94Å; V365-V599 HydrophobicContact CG2-CG2 4.03Å; L371-V599 HydrophobicContact CD2-CG1 4.11Å
600L30.6Very low26.3Very low64 Ų64131.1 Ų131.134%0.33568%0.683SS.*SBendtrans-107.7126-171.5-61.2177000112.2L374 V602L374-L600 HydrophobicContact CD2-CD2 3.93Å; L600-V602 PolarHBondContact O-N 3.35Å
601P25.9Very low26.3Very low93 Ų93129.8 Ų129.860%0.60468%0.684SS**PPolyproline II helixtrans-63.6120.8168.324.5-29.2000109.4
602V28.2Very low26Very low129 Ų129131.4 Ų131.478%0.78269%0.685SS**PPolyproline II helixtrans-77.2121.4169.8178.60000107.7L600 N604L600-V602 PolarHBondContact O-N 3.35Å; V602-N604 PolarHBondContact O-N 3.45Å
603F24.6Very low25.8Very low174 Ų174131.8 Ų131.876%0.76369%0.687SS**PPolyproline II helixtrans-61.3119.9177.1-141.1-96.4000109.5E605F603-E605 HydrophobicContact CD1-CG 4.31Å; F603-E605 HydrophobicContact CE1-CG 4.2Å
604N23.2Very low25.5Very low150 Ų150131.6 Ų131.680%0.80269%0.686SS**  trans-129.1109.1164.7-125.7-4.1000106.2V602 R606V602-N604 PolarHBondContact O-N 3.45Å; N604-R606 PolarHBondContact O-N 3.29Å
605E22.6Very low25.2Very low171 Ų171132 Ų13280%0.79969%0.693SS**  trans-56.9106.9-179.7-72.2-177.5161.100110.6F603F603-E605 HydrophobicContact CD1-CG 4.31Å; F603-E605 HydrophobicContact CE1-CG 4.2Å
606R22.8Very low24.8Very low224 Ų224134.1 Ų134.185%0.84571%0.71SS**  trans-145.4103.2157-72.1-165.5-172.6157.34.4111.7N604N604-R606 PolarHBondContact O-N 3.29Å
607N22.9Very low24.6Very low162 Ų162134 Ų13487%0.86671%0.714SS**  trans38.7100.1138.7-60.7-13.4000118.3
608T23.8Very low24.1Very low139 Ų139138.8 Ų138.885%0.85375%0.745SS**  trans-119.2101153.3500000110.5
609S24.9Very low23.8Very low106 Ų106139.4 Ų139.474%0.74175%0.747SS**  trans3.8114.9156.254.20000120.4
610E22.3Very low23.2Very low173 Ų173145.3 Ų145.381%0.80878%0.783SS**  trans-8.1111.3138.1-62.2174.1168.200117.2
611F22.7Very low22.7Very low212 Ų212147.1 Ų147.193%0.9381%0.807SS**  trans-92.299.6151.2-107.3-89.2000108.8S613F611-S613 PolarHBondContact O-N 2.81Å
612N20.6Very low22.5Very low133 Ų133146 Ų14671%0.71181%0.812SS**  trans-61.5116.5164.9-85.2-44.5000109.5
613S23.1Very low22.2Very low107 Ų107149.2 Ų149.275%0.74882%0.816SS**  trans-127.5114.5152.359.10000110F611 T615F611-S613 PolarHBondContact O-N 2.81Å; S613-T615 PolarHBondContact O-N 3.29Å
614H20.7Very low22Very low176 Ų176147.5 Ų147.582%0.81582%0.819SS**  trans-52.8120.6176.8-72.1-91.5000111.7
615T21.9Very low21.8Very low136 Ų136144.3 Ų144.383%0.83482%0.822SS**  trans-136.296.1151.625.50000109.6S613 L617S613-T615 PolarHBondContact O-N 3.29Å; T615-L617 PolarHBondContact O-N 2.92Å
616T19.2Very low21.8Very low129 Ų129139.4 Ų139.479%0.79182%0.817SS**  trans-60.9116.3161.8360000110.5
617L21.4Very low21.7Very low173 Ų173139.1 Ų139.191%0.90682%0.823SS**  trans-135.5112.6154.3-79.1173.3000109.6T615T615-L617 PolarHBondContact O-N 2.92Å
618T19.8Very low21.6Very low129 Ų129139.1 Ų139.179%0.79182%0.822SS**  trans-68.8160.1175.737.80000113.1
619P22.9Very low21.6Very low124 Ų124137.5 Ų137.581%0.80581%0.814SS**  trans-93.1131.2-155.234.6-31.2000113.2
620T22.3Very low21.4Very low147 Ų147140 Ų14090%0.90282%0.819SS**  trans-94.8112.1162.8400000109.8
621A21.3Very low21.4Very low103 Ų103138.2 Ų138.285%0.85182%0.815SS**  trans-68145.6170.800000111.5
622G21.4Very low21.5Very low68 Ų68132.8 Ų132.870%0.70180%0.803SS**  trans125.5107.5140.800000117
623K21.1Very low21.6Very low198 Ų198133 Ų13386%0.86180%0.803SS**  111.5125.2127.6-69.3-176.8177.1179.10117.9
624T21.2Very low21.5Very low138 Ų138134.2 Ų134.285%0.84781%0.806SS**  trans67.2108.4151.256.90000115.4
625G20Very low21.7Very low83 Ų83128.9 Ų128.986%0.85679%0.793SS**  cis95.878.448.400000107.9
626G21.2Very low21.8Very low68 Ų68129.2 Ų129.270%0.70180%0.795SS**  trans-156.476.2179.400000109L628G626-L628 PolarHBondContact O-N 2.88Å; G626-L628 VanDerWaalsContact O-N 3.11Å
627F20Very low22.3Very low218 Ų218127.2 Ų127.296%0.95679%0.786SS**  trans-64.4102.9165.6-80.8-94.7000107.9
628L22.7Very low22.6Very low161 Ų161126.5 Ų126.584%0.84378%0.783SS**  trans-102.1128.4157.3-76.7171.6000107.4G626G626-L628 PolarHBondContact O-N 2.88Å; G626-L628 VanDerWaalsContact O-N 3.11Å
629P22.9Very low23.8Very low106 Ų106127.3 Ų127.369%0.68877%0.772SS**  trans-68.9138.9-163.828.7-35.2000111N631P629-N631 VanDerWaalsContact C-N 3.32Å; P629-N631 PolarHBondContact O-N 3.24Å
630N21.2Very low25.1Very low159 Ų159125.1 Ų125.185%0.8576%0.756SS**  trans-54.196.7162.9-83.9-17.5000108.8S632N630-S632 PolarHBondContact O-N 2.77Å
631N22.8Very low26.7Very low135 Ų135120.8 Ų120.872%0.72273%0.73SS**  trans-66.784.2158.2-96.10.4000107.1P629 L633P629-N631 VanDerWaalsContact C-N 3.32Å; P629-N631 PolarHBondContact O-N 3.24Å; N631-L633 HydrophobicContact CB-CD1 4.35Å; N631-L633 PolarHBondContact O-N 2.84Å
632S22.8Very low28.5Very low98 Ų98118.7 Ų118.769%0.68571%0.709SS**  trans-6575.9156.748.40000107.8N630 T634N630-S632 PolarHBondContact O-N 2.77Å; S632-T634 PolarHBondContact O-N 3.31Å
633L23.5Very low31Very low136 Ų136117.7 Ų117.771%0.71269%0.691SS**  trans-72.179.5163-82.4151.1000107.2N631 A635N631-L633 HydrophobicContact CB-CD1 4.35Å; N631-L633 PolarHBondContact O-N 2.84Å; L633-A635 HydrophobicContact CD2-CB 4.37Å; L633-A635 PolarHBondContact O-N 2.7Å
634T21.8Very low34Very low133 Ų133108.9 Ų108.982%0.81665%0.654SS**  trans-67.466.3151.452.80000107.7S632S632-T634 PolarHBondContact O-N 3.31Å
635A25.3Very low37Very low64 Ų64102.4 Ų102.453%0.52961%0.614SS.*  trans-99.493.6170.800000106.7L633 S637L633-A635 HydrophobicContact CD2-CB 4.37Å; L633-A635 PolarHBondContact O-N 2.7Å; A635-S637 PolarHBondContact O-N 3.03Å
636T23.5Very low40.2Very low143 Ų143101.8 Ų101.888%0.87759%0.591SS**  trans-58.172.9152.843.10000108.2N638T636-N638 PolarHBondContact O-N 2.96Å
637S28.6Very low43.5Very low87 Ų87100.2 Ų100.261%0.60857%0.566SS**  trans-86.3106.5174.3-169.90000106.7A635 R639A635-S637 PolarHBondContact O-N 3.03Å; S637-R639 PolarHBondContact O-N 3.21Å
638N29.4Very low46.9Very low158 Ų15890 Ų9085%0.84552%0.521SS*.  trans-53.685.3161-72.7-26.2000108T636 T640T636-N638 PolarHBondContact O-N 2.96Å; N638-T640 PolarHBondContact O-N 2.86Å
639R44.1Very low50.2Low146 Ų14683.4 Ų83.455%0.55149%0.489SS*.  trans-65.8119.8173.3-71.3-170.3-157.7174.910.2107.3N509 S637N509-R639 PolarHBondContact OD1-NH1 3.44Å; S637-R639 PolarHBondContact O-N 3.21Å
640T51Low53.6Low78 Ų7878.6 Ų78.648%0.47946%0.458SS..  trans-60.2150.7171.557.60000109.8N638 S642 S643N638-T640 PolarHBondContact O-N 2.86Å; T640-S642 WeakPolarHBondContact CB-OG 3.43Å; T640-S642 PolarHBondContact O-N 3.48Å; T640-S642 PolarHBondContact OG1-OG 2.8Å; T640-S643 VanDerWaalsContact O-CB 3.23Å; T640-S643 WeakPolarHBondContact O-CB 3.32Å; T640-S643 PolarHBondContact O-N 3.19Å; T640-S643 PolarHBondContact OG1-OG 3.07Å
641T55Low57Low57 Ų5772.8 Ų72.835%0.3543%0.429SS..Hα-helixtrans-54.4-35.3174.753.30000111.9V545 N548 S643 L644V545-T641 VanDerWaalsContact CG1-O 3.25Å; V545-T641 WeakPolarHBondContact CG1-O 3.13Å; N548-T641 PolarHBondContact OD1-OG1 3.28Å; N548-T641 VanDerWaalsContact OD1-OG1 3.07Å; T641-S643 PolarHBondContact O-N 2.97Å; T641-L644 PolarHBondContact O-N 3.08Å
642S59.3Low60.4Low59 Ų5968.6 Ų68.641%0.41341%0.405SS..Hα-helixtrans-58.5-27.5173.559.70000114.1T640 L644 S645 N646T640-S642 WeakPolarHBondContact CB-OG 3.43Å; T640-S642 PolarHBondContact O-N 3.48Å; T640-S642 PolarHBondContact OG1-OG 2.8Å; S642-L644 VanDerWaalsContact C-N 3.3Å; S642-L644 PolarHBondContact O-N 2.75Å; S642-S645 PolarHBondContact O-OG 3.45Å; S642-N646 PolarHBondContact O-ND2 3.27Å
643S74.6Confident63.8Low47 Ų4766 Ų6633%0.32938%0.381SS..Hα-helixtrans-71.1-26.3177.5-60.50000112.3T640 T641T640-S643 VanDerWaalsContact O-CB 3.23Å; T640-S643 WeakPolarHBondContact O-CB 3.32Å; T640-S643 PolarHBondContact O-N 3.19Å; T640-S643 PolarHBondContact OG1-OG 3.07Å; T641-S643 PolarHBondContact O-N 2.97Å
644L83Confident67.2Low13 Ų1363.5 Ų63.57%0.06837%0.365CS..Hα-helixtrans-79.1-41.5-177.5-65.8174.6000112.4L510 V545 Y551 T641 S642 N646 L647L510-L644 HydrophobicContact CD2-CB 4.33Å; V545-L644 HydrophobicContact CG1-CB 4.17Å; V545-L644 HydrophobicContact CG2-CB 3.98Å; V545-L644 HydrophobicContact CG2-CD1 4.12Å; Y551-L644 HydrophobicContact CD1-CD1 3.67Å; Y551-L644 HydrophobicContact CE1-CD1 3.34Å; Y551-L644 HydrophobicContact CE2-CD1 4.42Å; Y551-L644 HydrophobicContact CG-CD1 4.35Å; T641-L644 PolarHBondContact O-N 3.08Å; S642-L644 VanDerWaalsContact C-N 3.3Å; S642-L644 PolarHBondContact O-N 2.75Å; L644-N646 PolarHBondContact O-N 2.88Å; L644-L647 HydrophobicContact CD2-CD1 3.89Å; L644-L647 VanDerWaalsContact O-CB 3.32Å; L644-L647 WeakPolarHBondContact O-CB 3.22Å; L644-L647 WeakPolarHBondContact O-CG 3.44Å; L644-L647 PolarHBondContact O-N 3.46Å; L644-L647 VanDerWaalsContact O-N 3.08Å
645S84Confident70.6Confident2 Ų258.7 Ų58.71%0.01434%0.335CS..Hα-helixtrans-65.1-25.6176.668.40000112.4K198 W546 S642 L647 I648 E652K198-S645 WeakPolarHBondContact CE-O 3.36Å; K198-S645 PolarHBondContact NZ-O 3.38Å; W546-S645 PolarHBondContact NE1-OG 2.96Å; S642-S645 PolarHBondContact O-OG 3.45Å; S645-L647 VanDerWaalsContact C-N 3.3Å; S645-L647 PolarHBondContact O-N 2.94Å; S645-I648 PolarHBondContact O-N 3.37Å; S645-E652 PolarHBondContact OG-OE2 3.26Å
646N88.1Confident73.7Confident69 Ų6961.1 Ų61.137%0.36934%0.336SS..THydrogen-bonded Turntrans-73.9-15.8175.3-71.2-20.3000114S642 L644 I648S642-N646 PolarHBondContact O-ND2 3.27Å; L644-N646 PolarHBondContact O-N 2.88Å; N646-I648 PolarHBondContact O-N 2.69Å
647L89.4Confident76.6Confident35 Ų3556.2 Ų56.218%0.18330%0.304CS..THydrogen-bonded Turntrans-68.1-30.2174.7-60.6177.6000111.7V505 L506 N509 L510 L644 S645 C649V505-L647 HydrophobicContact CG1-CB 4.24Å; V505-L647 HydrophobicContact CG1-CD2 3.89Å; V505-L647 HydrophobicContact CG1-CG 4.45Å; L506-L647 HydrophobicContact CD2-CB 3.99Å; L506-L647 WeakPolarHBondContact CD2-O 3.4Å; N509-L647 HydrophobicContact CB-CD1 3.44Å; N509-L647 VanDerWaalsContact CB-CD1 3.44Å; L510-L647 HydrophobicContact CD2-CD1 4.45Å; L644-L647 HydrophobicContact CD2-CD1 3.89Å; L644-L647 VanDerWaalsContact O-CB 3.32Å; L644-L647 WeakPolarHBondContact O-CB 3.22Å; L644-L647 WeakPolarHBondContact O-CG 3.44Å; L644-L647 PolarHBondContact O-N 3.46Å; L644-L647 VanDerWaalsContact O-N 3.08Å; S645-L647 VanDerWaalsContact C-N 3.3Å; S645-L647 PolarHBondContact O-N 2.94Å; L647-C649 PolarHBondContact O-N 3.04Å
648I92.5Very high78.7Confident3 Ų357.5 Ų57.52%0.01531%0.31CS..SBendtrans-77.1106.6174.8-60.8170.1000107.7K198 V246 I498 L506 L510 I538 L542 S645 N646 A650K198-I648 WeakPolarHBondContact CE-O 3.46Å; K198-I648 PolarHBondContact NZ-O 2.93Å; V246-I648 HydrophobicContact CG1-CG2 3.67Å; I498-I648 HydrophobicContact CD1-CG2 4.34Å; I498-I648 HydrophobicContact CG1-CG2 4.46Å; L506-I648 HydrophobicContact CD2-CG1 4.09Å; L510-I648 HydrophobicContact CD1-CD1 4.13Å; L510-I648 HydrophobicContact CD1-CG1 4.02Å; I538-I648 HydrophobicContact CG2-CD1 3.56Å; I538-I648 HydrophobicContact CG2-CG1 4.01Å; L542-I648 HydrophobicContact CB-CD1 4.06Å; L542-I648 HydrophobicContact CD1-CD1 4.19Å; L542-I648 HydrophobicContact CD2-CD1 4.43Å; L542-I648 HydrophobicContact CG-CD1 4.46Å; S645-I648 PolarHBondContact O-N 3.37Å; N646-I648 PolarHBondContact O-N 2.69Å; I648-A650 HydrophobicContact CG2-CB 4.26Å; I648-A650 PolarHBondContact O-N 3.37Å
649C91.9Very high80.4Confident23 Ų2352.4 Ų52.416%0.15528%0.284CS..  trans-70.863-178.2-68.60000113.1N497 L647N497-C649 HydrophobicContact CB-CB 3.6Å; L647-C649 PolarHBondContact O-N 3.04Å
650A93.4Very high81.1Confident5 Ų553.9 Ų53.94%0.04129%0.29CS..SBendtrans-136.1149.2174.800000109.7K198 V246 T494 I498 I648K198-A650 WeakPolarHBondContact CE-O 3.38Å; K198-A650 HydrophobicContact CG-CB 4.27Å; K198-A650 PolarHBondContact NZ-O 2.85Å; V246-A650 HydrophobicContact CG2-CB 3.97Å; T494-A650 HydrophobicContact CG2-CB 3.77Å; I498-A650 HydrophobicContact CD1-CB 4.45Å; I648-A650 HydrophobicContact CG2-CB 4.26Å; I648-A650 PolarHBondContact O-N 3.37Å
651P93.3Very high81.1Confident38 Ų3857.4 Ų57.425%0.24731%0.306CS..  trans-61.1147.8178.629-36.8000110.5G199 E200 I203G199-P651 PolarHBondContact N-O 3.21Å; E200-P651 HydrophobicContact CB-CG 4.35Å; I203-P651 HydrophobicContact CD1-CB 3.62Å; I203-P651 HydrophobicContact CD1-CG 3.95Å
652E94.2Very high80.4Confident46 Ų4663.3 Ų63.322%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-127.2142.8-177.8-176169.1130.400109.8A197 K198 W546 S645 K654A197-E652 WeakPolarHBondContact O-CA 3.32Å; K198-E652 HydrophobicContact CD-CB 3.98Å; K198-E652 HydrophobicContact CD-CG 4.25Å; K198-E652 IonicContact NZ-OE2 2.8Å; K198-E652 PolarHBondContact NZ-OE2 3.45Å; W546-E652 HydrophobicContact CH2-CG 4.48Å; W546-E652 HydrophobicContact CZ2-CG 3.86Å; S645-E652 PolarHBondContact OG-OE2 3.26Å; E652-K654 HydrophobicContact CG-CG 4.34Å; E652-K654 WeakPolarHBondContact OE1-CD 3.5Å; E652-K654 WeakPolarHBondContact OE1-CE 3.49Å; E652-K654 IonicContact OE1-NZ 2.78Å; E652-K654 PolarHBondContact OE1-NZ 2.95Å
653F93.9Very high79.7Confident43 Ų4363.6 Ų63.619%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-133.7133.6173.2174-100.3000108.7Y196 A197 I203 A206 Q210 V655Y196-F653 CarbonylContact C-O 3.44Å; Y196-F653 WeakPolarHBondContact CA-O 3.47Å; A197-F653 HydrophobicContact CB-CB 4.31Å; A197-F653 HydrophobicContact CB-CD1 4.45Å; A197-F653 PolarHBondContact N-O 2.95Å; A197-F653 PolarHBondContact O-N 3.12Å; I203-F653 HydrophobicContact CB-CB 4.41Å; I203-F653 HydrophobicContact CD1-CB 4.1Å; I203-F653 HydrophobicContact CG1-CB 3.7Å; I203-F653 HydrophobicContact CG2-CB 4.11Å; I203-F653 HydrophobicContact CG2-CG 4.49Å; A206-F653 HydrophobicContact CB-CD1 3.82Å; A206-F653 HydrophobicContact CB-CE1 3.9Å; Q210-F653 VanDerWaalsContact OE1-CZ 3.26Å; F653-V655 HydrophobicContact CD1-CG1 4.46Å; F653-V655 HydrophobicContact CE1-CB 3.95Å; F653-V655 HydrophobicContact CE1-CG1 3.46Å; F653-V655 VanDerWaalsContact CE1-CG1 3.46Å; F653-V655 HydrophobicContact CZ-CB 3.8Å; F653-V655 HydrophobicContact CZ-CG1 3.74Å
654K94.3Very high77.9Confident84 Ų8467.2 Ų67.237%0.36535%0.348SS..EExtended strand (participates in β ladder)trans-136.9132.4175.4-66.7-175.7163.9147.90108.7I195 Y196 E652I195-K654 WeakPolarHBondContact O-CA 3.17Å; Y196-K654 HydrophobicContact CD1-CB 3.69Å; Y196-K654 HydrophobicContact CD1-CD 3.95Å; Y196-K654 HydrophobicContact CD1-CG 3.47Å; Y196-K654 VanDerWaalsContact CD1-CG 3.47Å; Y196-K654 HydrophobicContact CE1-CB 3.95Å; Y196-K654 HydrophobicContact CE1-CD 4.05Å; Y196-K654 HydrophobicContact CE1-CG 3.96Å; Y196-K654 HydrophobicContact CG-CD 4.24Å; Y196-K654 HydrophobicContact CG-CG 3.89Å; E652-K654 HydrophobicContact CG-CG 4.34Å; E652-K654 WeakPolarHBondContact OE1-CD 3.5Å; E652-K654 WeakPolarHBondContact OE1-CE 3.49Å; E652-K654 IonicContact OE1-NZ 2.78Å; E652-K654 PolarHBondContact OE1-NZ 2.95Å
655V93.6Very high75.7Confident33 Ų3372.1 Ų72.120%0.237%0.369CS..EExtended strand (participates in β ladder)trans-141.5142.1176.263.30000110.1K194 I195 F653 L657K194-V655 WeakPolarHBondContact CA-O 3.2Å; I195-V655 HydrophobicContact CB-CG1 3.77Å; I195-V655 HydrophobicContact CG1-CG1 4.41Å; I195-V655 PolarHBondContact N-O 3.34Å; I195-V655 PolarHBondContact O-N 3.04Å; F653-V655 HydrophobicContact CD1-CG1 4.46Å; F653-V655 HydrophobicContact CE1-CB 3.95Å; F653-V655 HydrophobicContact CE1-CG1 3.46Å; F653-V655 VanDerWaalsContact CE1-CG1 3.46Å; F653-V655 HydrophobicContact CZ-CB 3.8Å; F653-V655 HydrophobicContact CZ-CG1 3.74Å; V655-L657 HydrophobicContact CG2-CD2 4.15Å
656Q90.2Very high73.1Confident114 Ų11478.8 Ų78.853%0.53341%0.41SS..EExtended strand (participates in β ladder)trans-106124.4167.5179.175.747.400107P193P193-Q656 PolarHBondContact O-NE2 3.5Å; P193-Q656 VanDerWaalsContact O-NE2 3.08Å
657L83.9Confident70.5Confident41 Ų4179.4 Ų79.422%0.21542%0.42CS..  trans-93.2146.1175-63.6-178.4000109.9F192 P193 I195 V655 V659F192-L657 WeakPolarHBondContact O-CD1 3.48Å; P193-L657 PolarHBondContact O-N 3.01Å; I195-L657 HydrophobicContact CD1-CD1 4.05Å; V655-L657 HydrophobicContact CG2-CD2 4.15Å; L657-V659 PolarHBondContact O-N 3.38Å
658P73.4Confident68.1Low114 Ų11487.8 Ų87.874%0.7446%0.455SS*.  trans-69.7120.9172.228.7-32000109.3
659V66Low65.6Low50 Ų5090.5 Ų90.530%0.30347%0.474SS..  trans-117.6144.6173.6-176.20000107.9P193 L657P193-V659 HydrophobicContact CB-CG2 3.8Å; P193-V659 HydrophobicContact CG-CG2 4.03Å; L657-V659 PolarHBondContact O-N 3.38Å
660R57.3Low63Low177 Ų17793 Ų9367%0.66850%0.504SS*.  trans-79.5117.6174.4-70.2-178.9175.8-179.91.4108.4E662R660-E662 VanDerWaalsContact C-N 3.29Å; R660-E662 PolarHBondContact O-N 3.35Å
661D51Low60.5Low152 Ų15295.4 Ų95.481%0.81352%0.52SS*.SBendtrans-75-10.2-175.3-70.9-31.5000114.3
662E42Very low57.8Low182 Ų182101.8 Ų101.885%0.8555%0.551SS**  trans-143.1102.1-175.4-62.4-174176.900112.4R660R660-E662 VanDerWaalsContact C-N 3.29Å; R660-E662 PolarHBondContact O-N 3.35Å
663L44.7Very low54.7Low65 Ų65105.9 Ų105.934%0.3457%0.574SS.*  trans-110.4129.1161-81.6163.4000108.9E231 F665E231-L663 WeakPolarHBondContact O-CD1 3.31Å; L663-F665 PolarHBondContact O-N 3.48Å
664P36.2Very low51.9Low122 Ų122107.4 Ų107.479%0.79258%0.583SS**  trans-69.9129.2175.923.8-29.3000111.9T666P664-T666 PolarHBondContact O-N 3.07Å
665F35.9Very low49Very low116 Ų116110.1 Ų110.151%0.50960%0.597SS.*  trans-53.6123.5-173.4-132.2-107.7000113.8L663 M674L663-F665 PolarHBondContact O-N 3.48Å; F665-M674 HydrophobicContact CE2-CB 3.63Å; F665-M674 HydrophobicContact CE2-CG 4.1Å; F665-M674 HydrophobicContact CZ-CB 3.93Å; F665-M674 HydrophobicContact CZ-CG 4.24Å
666T29.9Very low46.2Very low142 Ų142116.5 Ų116.587%0.87163%0.63SS**  trans-124.794.9154.158.60000109.1P664 K668P664-T666 PolarHBondContact O-N 3.07Å; T666-K668 PolarHBondContact O-N 3.08Å
667S33.7Very low43.9Very low82 Ų82116.6 Ų116.657%0.57363%0.63SS**  trans-67.7111.7-179.7171.50000111.2
668K39Very low42.4Very low212 Ų212120.7 Ų120.792%0.92266%0.659SS**  trans-127.32148-86.7-169.3178.6179.50113.4T666T666-K668 PolarHBondContact O-N 3.08Å
669S40.5Very low41.9Very low60 Ų60122.1 Ų122.142%0.4266%0.66SS.*SBendtrans-106123.2172.7-158.90000108.6C671S669-C671 PolarHBondContact O-N 3.5Å
670G37.3Very low42.2Very low76 Ų76125.1 Ų125.178%0.78467%0.669SS**  trans-72.257.2-171.700000114.5
671C39.8Very low43.4Very low54 Ų54118.5 Ų118.537%0.36565%0.65SS.*  trans-80.1133.9161.4-86.80000109.6S669 N673S669-C671 PolarHBondContact O-N 3.5Å; C671-N673 PolarHBondContact O-N 2.8Å
672L36.7Very low45.2Very low172 Ų172113.9 Ų113.990%0.90162%0.621SS**SBendtrans-53.6124.2163.6-63.5166.2000108.2M674L672-M674 PolarHBondContact O-N 3.29Å
673N29.3Very low47.6Very low133 Ų133105.8 Ų105.871%0.71158%0.583SS**  trans-6.6111.6177.8-65.8-14.4000116.1C671 E675C671-N673 PolarHBondContact O-N 2.8Å; N673-E675 VanDerWaalsContact C-N 3.27Å; N673-E675 PolarHBondContact O-N 2.87Å; N673-E675 VanDerWaalsContact O-N 3.15Å
674M35.1Very low50.1Low75 Ų75102.7 Ų102.737%0.36957%0.567SS.*  trans-8375.1161-68.4-153.871.900109.7F665 L672F665-M674 HydrophobicContact CE2-CB 3.63Å; F665-M674 HydrophobicContact CE2-CG 4.1Å; F665-M674 HydrophobicContact CZ-CB 3.93Å; F665-M674 HydrophobicContact CZ-CG 4.24Å; L672-M674 PolarHBondContact O-N 3.29Å
675E32.9Very low53Low140 Ų14096.9 Ų96.965%0.65453%0.529SS*.  trans-93.1139.6148.6-72.5-175165.500106.9N673 H677N673-E675 VanDerWaalsContact C-N 3.27Å; N673-E675 PolarHBondContact O-N 2.87Å; N673-E675 VanDerWaalsContact O-N 3.15Å; E675-H677 PolarHBondContact O-CD2 2.97Å; E675-H677 PolarHBondContact O-N 3.15Å
676N35.8Very low56Low168 Ų16891.4 Ų91.490%0.89851%0.505SS*.  trans-60.478.3177.9-86.3-24.1000110.7P678N676-P678 WeakPolarHBondContact O-CD 3.44Å
677H41.1Very low59.3Low116 Ų11684.6 Ų84.654%0.53746%0.464SS..  trans-76.3120.6168.8-69.3-60.5000107.6E675 N679 K680E675-H677 PolarHBondContact O-CD2 2.97Å; E675-H677 PolarHBondContact O-N 3.15Å; H677-N679 PolarHBondContact O-N 3.49Å; H677-K680 PolarHBondContact O-N 3.02Å
678P53.8Low62.4Low127 Ų12780.8 Ų80.883%0.82544%0.437SS*.THydrogen-bonded Turntrans-61.7-5.6-177.923.1-33000114.5N676N676-P678 WeakPolarHBondContact O-CD 3.44Å
679N62.4Low65.2Low143 Ų14370.7 Ų70.777%0.76539%0.393SS*.THydrogen-bonded Turntrans-112.714.1-178.1-98.118.3000114.2H677H677-N679 PolarHBondContact O-N 3.49Å
680K71.4Confident67.9Low113 Ų11368 Ų6849%0.49138%0.375SS..PPolyproline II helixtrans-70.1130.4175.4-169.8179.2178.4-178.60109.8H677H677-K680 PolarHBondContact O-N 3.02Å
681P82.3Confident70.7Confident39 Ų3964.5 Ų64.525%0.25334%0.338SS..PPolyproline II helixtrans-65.9149.5178.827.2-34.7000112N710 E712P681-N710 WeakPolarHBondContact CA-OD1 3.34Å; P681-E712 HydrophobicContact CB-CG 3.93Å; P681-E712 HydrophobicContact CG-CG 3.95Å
682R89Confident73.5Confident55 Ų5561.9 Ų61.921%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-76.5126.4177.1-59.2166.264.1-155.1-7.6109.2E237 T547 D549 N710 V711 E712E237-R682 VanDerWaalsContact CD-NH2 3.26Å; E237-R682 IonicContact OE1-CZ 3.23Å; E237-R682 IonicContact OE1-NE 3.95Å; E237-R682 IonicContact OE1-NH2 3.88Å; E237-R682 PolarHBondContact OE1-NH2 2.47Å; E237-R682 IonicContact OE2-CZ 3.42Å; E237-R682 IonicContact OE2-NE 3.13Å; E237-R682 PolarHBondContact OE2-NE 3.45Å; E237-R682 IonicContact OE2-NH2 2.76Å; E237-R682 PolarHBondContact OE2-NH2 3.31Å; T547-R682 PolarHBondContact O-NH1 3.42Å; D549-R682 IonicContact OD1-NH1 3.94Å; D549-R682 IonicContact OD2-CZ 3.15Å; D549-R682 IonicContact OD2-NH1 2.83Å; D549-R682 PolarHBondContact OD2-NH1 3.49Å; R682-N710 PolarHBondContact N-O 3.01Å; R682-V711 HydrophobicContact CB-CG2 4.43Å; R682-V711 CarbonylContact O-C 3.43Å; R682-V711 WeakPolarHBondContact O-CA 3.37Å; R682-V711 WeakPolarHBondContact O-CG2 3.42Å; R682-E712 PolarHBondContact O-N 3.18Å
683I93.9Very high76.5Confident12 Ų1253.8 Ų53.86%0.06228%0.278CS..EExtended strand (participates in β ladder)trans-92.2114.4178.1-58.6175.8000109.6P8 L9 T236 E237 V714P8-I683 HydrophobicContact CB-CD1 4.29Å; P8-I683 HydrophobicContact CB-CG1 4.28Å; P8-I683 HydrophobicContact CB-CG2 4.35Å; P8-I683 VanDerWaalsContact O-CD1 3.23Å; P8-I683 WeakPolarHBondContact O-CD1 3.39Å; L9-I683 HydrophobicContact CD1-CG2 4.29Å; L9-I683 HydrophobicContact CD2-CD1 3.67Å; L9-I683 HydrophobicContact CD2-CG2 4.46Å; L9-I683 HydrophobicContact CG-CD1 4.22Å; L9-I683 HydrophobicContact CG-CG2 4.17Å; T236-I683 HydrophobicContact CG2-CG2 4.16Å; E237-I683 PolarHBondContact N-O 2.92Å; I683-V714 HydrophobicContact CG2-CG2 4.23Å
684V95.5Very high79.7Confident0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans-112.4124.5178.7177.50000109.8L238 I240 T547 V686 V711 E712 F713 V714L238-V684 HydrophobicContact CB-CG1 4.38Å; L238-V684 HydrophobicContact CB-CG2 4.39Å; L238-V684 HydrophobicContact CD2-CG1 4.27Å; L238-V684 HydrophobicContact CG-CG1 4.33Å; I240-V684 HydrophobicContact CD1-CG1 3.92Å; I240-V684 HydrophobicContact CG1-CG1 4.27Å; T547-V684 HydrophobicContact CG2-CG1 4.35Å; T547-V684 HydrophobicContact CG2-CG2 4.36Å; V684-V686 HydrophobicContact CG1-CG2 4.29Å; V684-V711 HydrophobicContact CB-CG2 4.1Å; V684-V711 HydrophobicContact CG2-CG2 3.59Å; V684-E712 PolarHBondContact N-O 3.36Å; V684-F713 HydrophobicContact CB-CD1 3.92Å; V684-F713 HydrophobicContact CB-CE1 4Å; V684-F713 HydrophobicContact CG1-CD1 4.13Å; V684-F713 HydrophobicContact CG1-CE1 4.07Å; V684-F713 WeakPolarHBondContact O-CA 3.41Å; V684-V714 PolarHBondContact O-N 3.1Å
685V98.2Very high82.8Confident0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-91.1124.2175.8-176.60000109.4F185 F192 T236 L238 L239 I240 V714 I716F185-V685 HydrophobicContact CE1-CG2 4.32Å; F185-V685 HydrophobicContact CZ-CG2 3.96Å; F192-V685 HydrophobicContact CE1-CB 4.08Å; F192-V685 HydrophobicContact CE1-CG1 4.33Å; F192-V685 HydrophobicContact CE1-CG2 3.86Å; T236-V685 HydrophobicContact CG2-CG2 3.71Å; L238-V685 PolarHBondContact O-N 3.35Å; L239-V685 CarbonylContact C-O 3.56Å; L239-V685 WeakPolarHBondContact CA-O 3.34Å; L239-V685 HydrophobicContact CD1-CB 3.99Å; L239-V685 HydrophobicContact CD1-CG1 3.71Å; I240-V685 PolarHBondContact N-O 3Å; V685-V714 CarbonylContact C-O 3.59Å; V685-V714 VanDerWaalsContact CA-O 3.28Å; V685-V714 WeakPolarHBondContact CA-O 3.39Å; V685-V714 HydrophobicContact CG2-CB 4.34Å; V685-I716 HydrophobicContact CG1-CD1 3.44Å; V685-I716 VanDerWaalsContact CG1-CD1 3.44Å; V685-I716 HydrophobicContact CG1-CG1 3.68Å
686V98.5Very high85.9Confident0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-111.2107178.3-175.10000109.6I240 I242 I543 V684 F688 F713 V714 V715 I716I240-V686 CarbonylContact O-C 3.53Å; I240-V686 WeakPolarHBondContact O-CA 3.37Å; I242-V686 HydrophobicContact CD1-CG1 4.49Å; I543-V686 HydrophobicContact CD1-CG1 3.55Å; I543-V686 HydrophobicContact CD1-CG2 4.37Å; I543-V686 HydrophobicContact CG1-CG1 4.16Å; I543-V686 HydrophobicContact CG2-CG2 4.31Å; V684-V686 HydrophobicContact CG1-CG2 4.29Å; V686-F688 HydrophobicContact CB-CE2 4.49Å; V686-F688 HydrophobicContact CG1-CD2 3.98Å; V686-F688 HydrophobicContact CG1-CE2 3.49Å; V686-F688 VanDerWaalsContact CG1-CE2 3.49Å; V686-F688 HydrophobicContact CG1-CZ 4.09Å; V686-F713 HydrophobicContact CG2-CD1 3.7Å; V686-F713 HydrophobicContact CG2-CE1 4.23Å; V686-V714 PolarHBondContact N-O 3.31Å; V686-V715 CarbonylContact O-C 3.47Å; V686-V715 WeakPolarHBondContact O-CA 3.47Å; V686-I716 PolarHBondContact O-N 2.91Å
687G98.6Very high88.8Confident0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-93.1110.4177.600000113.5I240 L241 I242 I716I240-G687 PolarHBondContact O-N 3.03Å; L241-G687 CarbonylContact C-O 3.57Å; L241-G687 WeakPolarHBondContact CA-O 3.44Å; I242-G687 PolarHBondContact N-O 2.8Å; G687-I716 CarbonylContact C-O 3.53Å; G687-I716 WeakPolarHBondContact CA-O 3.33Å
688F98.7Very high91.5Very high1 Ų124.6 Ų24.60%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-91.5114.9172.6-73.9-91.6000111.6I242 I543 V686 V692 L700 V715 I716 T717 T718I242-F688 HydrophobicContact CB-CD1 4.41Å; I242-F688 HydrophobicContact CD1-CE1 4.39Å; I543-F688 HydrophobicContact CD1-CZ 4.03Å; V686-F688 HydrophobicContact CB-CE2 4.49Å; V686-F688 HydrophobicContact CG1-CD2 3.98Å; V686-F688 HydrophobicContact CG1-CE2 3.49Å; V686-F688 VanDerWaalsContact CG1-CE2 3.49Å; V686-F688 HydrophobicContact CG1-CZ 4.09Å; F688-V692 HydrophobicContact CB-CB 3.93Å; F688-V692 HydrophobicContact CD1-CB 4.14Å; F688-V692 HydrophobicContact CD1-CG2 4.03Å; F688-V692 HydrophobicContact CD2-CB 3.85Å; F688-V692 HydrophobicContact CD2-CG2 3.63Å; F688-V692 HydrophobicContact CE1-CG2 4.02Å; F688-V692 HydrophobicContact CE2-CB 4.36Å; F688-V692 HydrophobicContact CE2-CG2 3.63Å; F688-V692 HydrophobicContact CG-CB 3.72Å; F688-V692 HydrophobicContact CG-CG2 3.84Å; F688-V692 HydrophobicContact CZ-CG2 3.83Å; F688-L700 HydrophobicContact CE2-CD1 4.33Å; F688-V715 HydrophobicContact CD2-CG1 3.99Å; F688-V715 HydrophobicContact CE2-CG1 4.27Å; F688-I716 PolarHBondContact N-O 2.79Å; F688-T717 WeakPolarHBondContact O-CA 3.23Å; F688-T718 PolarHBondContact O-N 2.9Å; F688-T718 VanDerWaalsContact O-N 3.15Å
689V98.1Very high93.5Very high1 Ų118.5 Ų18.51%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-96.5109.5178.9-175.90000109.2V175 F178 K201 A202 V205 I242 R244V175-V689 HydrophobicContact CG2-CG1 4.15Å; F178-V689 HydrophobicContact CD1-CG2 4.29Å; F178-V689 HydrophobicContact CE1-CG2 3.93Å; K201-V689 HydrophobicContact CB-CG1 4.06Å; A202-V689 HydrophobicContact CB-CG2 4.49Å; V205-V689 HydrophobicContact CG2-CG1 4.26Å; V205-V689 HydrophobicContact CG2-CG2 3.94Å; I242-V689 PolarHBondContact O-N 3.24Å; R244-V689 PolarHBondContact N-O 3.26Å
690G96.6Very high95.1Very high4 Ų411.9 Ų11.94%0.0416%0.057CC..THydrogen-bonded Turntrans99.82.3-173.800000114.2T718G690-T718 WeakPolarHBondContact CA-OG1 3.21Å; G690-T718 PolarHBondContact N-OG1 2.81Å
691G97.6Very high96.1Very high1 Ų18.4 Ų8.41%0.014%0.041CC..  trans112.2163.5165.300000115.7R244 T718 G719R244-G691 WeakPolarHBondContact CD-O 3.21Å; R244-G691 PolarHBondContact NH1-O 2.62Å; G691-T718 PolarHBondContact N-OG1 2.97Å; G691-G719 WeakPolarHBondContact CA-O 3.36Å
692V98.6Very high96.6Very high0 Ų08.3 Ų8.30%04%0.039CC..BIsolated β-bridgetrans-140149.2-177.770.50000110.1F688 E696 I697 T717 G719 F720 I721F688-V692 HydrophobicContact CB-CB 3.93Å; F688-V692 HydrophobicContact CD1-CB 4.14Å; F688-V692 HydrophobicContact CD1-CG2 4.03Å; F688-V692 HydrophobicContact CD2-CB 3.85Å; F688-V692 HydrophobicContact CD2-CG2 3.63Å; F688-V692 HydrophobicContact CE1-CG2 4.02Å; F688-V692 HydrophobicContact CE2-CB 4.36Å; F688-V692 HydrophobicContact CE2-CG2 3.63Å; F688-V692 HydrophobicContact CG-CB 3.72Å; F688-V692 HydrophobicContact CG-CG2 3.84Å; F688-V692 HydrophobicContact CZ-CG2 3.83Å; V692-E696 HydrophobicContact CG2-CB 3.73Å; V692-I697 HydrophobicContact CG1-CD1 4.02Å; V692-I697 HydrophobicContact CG1-CG1 4.33Å; V692-I697 HydrophobicContact CG2-CG1 4.11Å; V692-T717 HydrophobicContact CG1-CG2 3.78Å; V692-G719 PolarHBondContact N-O 3.28Å; V692-G719 VanDerWaalsContact N-O 3.07Å; V692-F720 HydrophobicContact CG1-CD1 4.3Å; V692-F720 HydrophobicContact CG1-CE1 4.41Å; V692-F720 CarbonylContact O-C 3.48Å; V692-F720 VanDerWaalsContact O-CA 3.31Å; V692-F720 WeakPolarHBondContact O-CA 3.24Å; V692-I721 PolarHBondContact O-N 2.82Å
693S98.4Very high96.4Very high1 Ų15.9 Ų5.91%0.0073%0.03CC..  trans-87.4154.8172.3630000111.6A695 E696 I697S693-A695 VanDerWaalsContact C-N 3.26Å; S693-A695 PolarHBondContact O-N 3.01Å; S693-E696 PolarHBondContact N-OE2 3.12Å; S693-E696 PolarHBondContact O-N 3.34Å; S693-E696 WeakPolarHBondContact OG-CB 3.27Å; S693-E696 WeakPolarHBondContact OG-CG 3.48Å; S693-E696 PolarHBondContact OG-N 3.47Å; S693-E696 VanDerWaalsContact OG-N 3.15Å; S693-E696 PolarHBondContact OG-OE2 3Å; S693-I697 PolarHBondContact O-N 3.33Å
694H98.3Very high96.1Very high15 Ų156.6 Ų6.67%0.0694%0.038CC..Hα-helixtrans-60.5-38.8173.1-81.4-77.2000111.5A259 D263 E696 I697 S698 F720A259-H694 HydrophobicContact CB-CB 4.26Å; D263-H694 IonicContact OD2-CD2 2.7Å; D263-H694 PolarHBondContact OD2-CD2 3.11Å; H694-E696 PolarHBondContact O-N 3.47Å; H694-I697 WeakPolarHBondContact O-CB 3.02Å; H694-I697 PolarHBondContact O-N 2.99Å; H694-I697 VanDerWaalsContact O-N 3.15Å; H694-S698 PolarHBondContact O-N 2.65Å; H694-S698 PolarHBondContact O-OG 3Å; H694-S698 VanDerWaalsContact O-OG 3.12Å; H694-F720 AromaticContact CD2-CD1 3.95Å; H694-F720 AromaticContact CE1-CD1 3.8Å; H694-F720 AromaticContact CE1-CE1 3.56Å; H694-F720 AromaticContact CE1-CZ 3.99Å; H694-F720 AromaticContact ND1-CE1 3.87Å; H694-F720 AromaticContact NE2-CD1 3.64Å; H694-F720 AromaticContact NE2-CE1 3.9Å; H694-F720 AromaticContact NE2-CG 3.97Å
695A98.4Very high95.7Very high0 Ų010.7 Ų10.70%07%0.072CC..Hα-helixtrans-65.6-34.5177.800000113.5Q255 T257 F532 S693 I697 S698 I699Q255-A695 HydrophobicContact CB-CB 3.86Å; Q255-A695 HydrophobicContact CG-CB 3.9Å; T257-A695 HydrophobicContact CG2-CB 4.15Å; F532-A695 HydrophobicContact CD2-CB 4.45Å; F532-A695 HydrophobicContact CE1-CB 4.15Å; F532-A695 HydrophobicContact CE2-CB 3.67Å; F532-A695 HydrophobicContact CZ-CB 3.5Å; F532-A695 VanDerWaalsContact CZ-CB 3.5Å; S693-A695 VanDerWaalsContact C-N 3.26Å; S693-A695 PolarHBondContact O-N 3.01Å; A695-I697 VanDerWaalsContact C-N 3.29Å; A695-I697 PolarHBondContact O-N 3.43Å; A695-S698 PolarHBondContact O-N 3.35Å; A695-I699 VanDerWaalsContact O-CG1 3.28Å; A695-I699 WeakPolarHBondContact O-CG1 3.13Å; A695-I699 PolarHBondContact O-N 2.91Å
696E98.4Very high94.8Very high0 Ų012 Ų120%08%0.081CC..Hα-helixtrans-59.5-41.4170.8-82.7167.6120.700111.3R244 T250 F532 P537 S539 I540 V692 S693 H694 I699 L700R244-E696 IonicContact CZ-OE1 3.82Å; R244-E696 IonicContact NH1-OE1 3.65Å; R244-E696 PolarHBondContact NH1-OE1 2.95Å; R244-E696 IonicContact NH1-OE2 2.78Å; R244-E696 PolarHBondContact NH1-OE2 3.02Å; R244-E696 VanDerWaalsContact NH1-OE2 3.12Å; R244-E696 IonicContact NH2-OE1 3.02Å; R244-E696 PolarHBondContact NH2-OE1 3.43Å; T250-E696 HydrophobicContact CG2-CG 3.77Å; F532-E696 HydrophobicContact CE2-CG 4.29Å; F532-E696 HydrophobicContact CZ-CG 4.43Å; P537-E696 HydrophobicContact CB-CG 4.41Å; P537-E696 HydrophobicContact CG-CG 4.07Å; S539-E696 PolarHBondContact OG-OE1 3.37Å; I540-E696 HydrophobicContact CD1-CB 4.38Å; I540-E696 WeakPolarHBondContact CD1-O 3.46Å; V692-E696 HydrophobicContact CG2-CB 3.73Å; S693-E696 PolarHBondContact N-OE2 3.12Å; S693-E696 PolarHBondContact O-N 3.34Å; S693-E696 WeakPolarHBondContact OG-CB 3.27Å; S693-E696 WeakPolarHBondContact OG-CG 3.48Å; S693-E696 PolarHBondContact OG-N 3.47Å; S693-E696 VanDerWaalsContact OG-N 3.15Å; S693-E696 PolarHBondContact OG-OE2 3Å; H694-E696 PolarHBondContact O-N 3.47Å; E696-I699 PolarHBondContact O-N 3.18Å; E696-L700 PolarHBondContact O-N 3.4Å
697I98.1Very high93.4Very high3 Ų321.2 Ų21.22%0.01512%0.124CC..Hα-helixtrans-66.6-43.8176.6-58.4-179000110.8V154 V692 S693 H694 A695 I699 L700 R701 V715 F720V154-I697 HydrophobicContact CG1-CD1 4Å; V154-I697 HydrophobicContact CG2-CD1 3.94Å; V154-I697 HydrophobicContact CG2-CG2 4Å; V692-I697 HydrophobicContact CG1-CD1 4.02Å; V692-I697 HydrophobicContact CG1-CG1 4.33Å; V692-I697 HydrophobicContact CG2-CG1 4.11Å; S693-I697 PolarHBondContact O-N 3.33Å; H694-I697 WeakPolarHBondContact O-CB 3.02Å; H694-I697 PolarHBondContact O-N 2.99Å; H694-I697 VanDerWaalsContact O-N 3.15Å; A695-I697 VanDerWaalsContact C-N 3.29Å; A695-I697 PolarHBondContact O-N 3.43Å; I697-I699 VanDerWaalsContact C-N 3.25Å; I697-I699 PolarHBondContact O-N 2.96Å; I697-L700 WeakPolarHBondContact O-CB 3.43Å; I697-L700 PolarHBondContact O-N 2.74Å; I697-L700 VanDerWaalsContact O-N 3.1Å; I697-R701 PolarHBondContact O-N 2.75Å; I697-V715 HydrophobicContact CD1-CG1 4.18Å; I697-V715 HydrophobicContact CG1-CG1 4.28Å; I697-V715 HydrophobicContact CG1-CG2 4.39Å; I697-V715 HydrophobicContact CG2-CG2 4.42Å; I697-F720 HydrophobicContact CD1-CE1 3.64Å; I697-F720 HydrophobicContact CD1-CZ 4.33Å
698S97.6Very high92.1Very high1 Ų126.8 Ų26.81%0.00715%0.154CC..Hα-helixtrans-59.5-37175.7-56.30000112.2D301 H694 A695 R701 T702D301-S698 WeakPolarHBondContact CA-OG 3.44Å; D301-S698 WeakPolarHBondContact OD1-CA 3.3Å; D301-S698 VanDerWaalsContact OD1-CB 3.26Å; D301-S698 WeakPolarHBondContact OD1-CB 3.26Å; D301-S698 PolarHBondContact OD1-OG 3.35Å; H694-S698 PolarHBondContact O-N 2.65Å; H694-S698 PolarHBondContact O-OG 3Å; H694-S698 VanDerWaalsContact O-OG 3.12Å; A695-S698 PolarHBondContact O-N 3.35Å; S698-R701 PolarHBondContact O-N 3.05Å; S698-T702 WeakPolarHBondContact O-CB 3.46Å; S698-T702 PolarHBondContact O-N 2.72Å; S698-T702 PolarHBondContact O-OG1 3.16Å
699I96.1Very high90.9Very high0 Ų026.8 Ų26.80%015%0.154CC..Hα-helixtrans-64.6-45.3173.6-69.6170.2000110.7A528 L531 F532 P537 I540 A695 E696 I697 R701 T702 I703A528-I699 HydrophobicContact CB-CG1 4.38Å; A528-I699 HydrophobicContact CB-CG2 3.92Å; L531-I699 HydrophobicContact CB-CD1 4.32Å; L531-I699 HydrophobicContact CB-CG1 4.15Å; L531-I699 HydrophobicContact CD1-CG1 3.72Å; L531-I699 HydrophobicContact CG-CG1 4.36Å; F532-I699 HydrophobicContact CD2-CD1 3.61Å; F532-I699 HydrophobicContact CE2-CD1 3.75Å; P537-I699 HydrophobicContact CG-CD1 4.19Å; I540-I699 HydrophobicContact CB-CG2 4.33Å; I540-I699 HydrophobicContact CD1-CB 4.28Å; I540-I699 HydrophobicContact CD1-CG2 4.03Å; I540-I699 HydrophobicContact CG1-CB 4.37Å; I540-I699 HydrophobicContact CG1-CG2 3.91Å; I540-I699 HydrophobicContact CG2-CG2 3.59Å; A695-I699 VanDerWaalsContact O-CG1 3.28Å; A695-I699 WeakPolarHBondContact O-CG1 3.13Å; A695-I699 PolarHBondContact O-N 2.91Å; E696-I699 PolarHBondContact O-N 3.18Å; I697-I699 VanDerWaalsContact C-N 3.25Å; I697-I699 PolarHBondContact O-N 2.96Å; I699-R701 VanDerWaalsContact C-N 3.3Å; I699-R701 PolarHBondContact O-N 2.74Å; I699-T702 PolarHBondContact O-N 3.15Å; I699-I703 HydrophobicContact CG2-CD1 3.51Å; I699-I703 HydrophobicContact CG2-CG1 4.36Å; I699-I703 VanDerWaalsContact O-CB 3.3Å; I699-I703 WeakPolarHBondContact O-CB 3.31Å; I699-I703 WeakPolarHBondContact O-CD1 3.27Å; I699-I703 VanDerWaalsContact O-CG1 3.25Å; I699-I703 WeakPolarHBondContact O-CG1 3.46Å; I699-I703 PolarHBondContact O-N 2.75Å
700L95Very high90.3Very high3 Ų330.3 Ų30.32%0.01617%0.173CC..Hα-helixtrans-59.5-40.2175.8-70.3176.5000112.5I540 I543 F688 E696 I697 I703 A704 F713 V715I540-L700 HydrophobicContact CD1-CD1 4.4Å; I540-L700 HydrophobicContact CD1-CD2 3.65Å; I540-L700 HydrophobicContact CD1-CG 3.63Å; I543-L700 HydrophobicContact CB-CD2 4.45Å; I543-L700 HydrophobicContact CD1-CD1 4.21Å; I543-L700 HydrophobicContact CD1-CD2 3.81Å; I543-L700 HydrophobicContact CG2-CD2 4.02Å; F688-L700 HydrophobicContact CE2-CD1 4.33Å; E696-L700 PolarHBondContact O-N 3.4Å; I697-L700 WeakPolarHBondContact O-CB 3.43Å; I697-L700 PolarHBondContact O-N 2.74Å; I697-L700 VanDerWaalsContact O-N 3.1Å; L700-I703 WeakPolarHBondContact O-CB 3.13Å; L700-I703 PolarHBondContact O-N 2.82Å; L700-A704 WeakPolarHBondContact O-CB 2.94Å; L700-A704 PolarHBondContact O-N 3.36Å; L700-F713 HydrophobicContact CB-CD2 4.01Å; L700-F713 HydrophobicContact CB-CG 4.49Å; L700-F713 HydrophobicContact CD2-CD2 4.3Å; L700-F713 HydrophobicContact CD2-CE2 4.22Å; L700-F713 HydrophobicContact CD2-CZ 4.46Å; L700-V715 HydrophobicContact CD1-CG2 3.88Å
701R93.4Very high89.9Confident41 Ų4130.4 Ų30.416%0.15517%0.172CC..Hα-helixtrans-66.4-44.4174.8-69.8173178.2155.5-1.7112.4D153 D301 I697 S698 I699 I703 A704 A705D153-R701 IonicContact OD1-CZ 3.9Å; D153-R701 IonicContact OD1-NE 2.66Å; D153-R701 IonicContact OD1-NH2 3.75Å; D153-R701 PolarHBondContact OD1-NH2 3.37Å; D153-R701 IonicContact OD2-CZ 3.92Å; D153-R701 IonicContact OD2-NE 2.86Å; D153-R701 PolarHBondContact OD2-NE 3.44Å; D153-R701 IonicContact OD2-NH2 2.86Å; D153-R701 PolarHBondContact OD2-NH2 3.27Å; D301-R701 IonicContact OD1-CZ 3.39Å; D301-R701 IonicContact OD1-NH1 2.96Å; D301-R701 PolarHBondContact OD1-NH1 3.11Å; D301-R701 VanDerWaalsContact OD2-CD 3.28Å; D301-R701 WeakPolarHBondContact OD2-CD 3.34Å; D301-R701 IonicContact OD2-CZ 2.65Å; D301-R701 IonicContact OD2-NE 2.84Å; D301-R701 IonicContact OD2-NH1 3.12Å; D301-R701 PolarHBondContact OD2-NH1 2.96Å; D301-R701 VanDerWaalsContact OD2-NH1 3.13Å; I697-R701 PolarHBondContact O-N 2.75Å; S698-R701 PolarHBondContact O-N 3.05Å; I699-R701 VanDerWaalsContact C-N 3.3Å; I699-R701 PolarHBondContact O-N 2.74Å; R701-I703 PolarHBondContact O-N 3.48Å; R701-A704 PolarHBondContact O-N 3.25Å; R701-A705 WeakPolarHBondContact O-CB 3.41Å; R701-A705 PolarHBondContact O-N 3.41Å
702T91.1Very high89.7Confident36 Ų3633.9 Ų33.922%0.22119%0.188CC..Hα-helixtrans-58.7-40.4176.4-58.40000111.1A527 S698 I699A527-T702 HydrophobicContact CB-CG2 4.03Å; S698-T702 WeakPolarHBondContact O-CB 3.46Å; S698-T702 PolarHBondContact O-N 2.72Å; S698-T702 PolarHBondContact O-OG1 3.16Å; I699-T702 PolarHBondContact O-N 3.15Å
703I85.7Confident89.5Confident5 Ų534.4 Ų34.43%0.02619%0.191CC..Hα-helixtrans-65.4-49.1175.2-80.3162.1000111.5I540 Q544 W550 I699 L700 R701 A705 S706 A709 F713I540-I703 HydrophobicContact CG2-CD1 3.55Å; Q544-I703 HydrophobicContact CG-CD1 4.44Å; W550-I703 HydrophobicContact CH2-CB 3.82Å; W550-I703 HydrophobicContact CH2-CD1 3.74Å; W550-I703 HydrophobicContact CH2-CG1 3.56Å; W550-I703 HydrophobicContact CH2-CG2 2.97Å; W550-I703 HydrophobicContact CZ2-CB 4.32Å; W550-I703 HydrophobicContact CZ2-CG1 4.49Å; W550-I703 HydrophobicContact CZ2-CG2 3.05Å; W550-I703 HydrophobicContact CZ3-CD1 4.5Å; W550-I703 HydrophobicContact CZ3-CG1 4.06Å; W550-I703 HydrophobicContact CZ3-CG2 3.89Å; I699-I703 HydrophobicContact CG2-CD1 3.51Å; I699-I703 HydrophobicContact CG2-CG1 4.36Å; I699-I703 VanDerWaalsContact O-CB 3.3Å; I699-I703 WeakPolarHBondContact O-CB 3.31Å; I699-I703 WeakPolarHBondContact O-CD1 3.27Å; I699-I703 VanDerWaalsContact O-CG1 3.25Å; I699-I703 WeakPolarHBondContact O-CG1 3.46Å; I699-I703 PolarHBondContact O-N 2.75Å; L700-I703 WeakPolarHBondContact O-CB 3.13Å; L700-I703 PolarHBondContact O-N 2.82Å; R701-I703 PolarHBondContact O-N 3.48Å; I703-A705 PolarHBondContact O-N 3.41Å; I703-S706 WeakPolarHBondContact O-CB 3.4Å; I703-S706 PolarHBondContact O-N 3.16Å; I703-S706 VanDerWaalsContact O-N 3.07Å; I703-A709 WeakPolarHBondContact O-CB 3.21Å; I703-F713 HydrophobicContact CG2-CE2 3.99Å
704A88.2Confident89.5Confident27 Ų2734.4 Ų34.422%0.22319%0.19CC..Hα-helixtrans-65.3-29.6-17800000112.2L700 R701 S706 V711 F713L700-A704 WeakPolarHBondContact O-CB 2.94Å; L700-A704 PolarHBondContact O-N 3.36Å; R701-A704 PolarHBondContact O-N 3.25Å; A704-S706 PolarHBondContact O-N 2.89Å; A704-V711 WeakPolarHBondContact CB-O 3.5Å; A704-F713 HydrophobicContact CB-CD2 3.95Å; A704-F713 HydrophobicContact CB-CE2 4.17Å
705A86.2Confident89.5Confident85 Ų8533.8 Ų33.870%0.70219%0.188SC*.THydrogen-bonded Turntrans-72.1-9.5174.700000113.9R701 I703R701-A705 WeakPolarHBondContact O-CB 3.41Å; R701-A705 PolarHBondContact O-N 3.41Å; I703-A705 PolarHBondContact O-N 3.41Å
706S80.4Confident89.5Confident27 Ų2733.8 Ų33.819%0.18919%0.188CC..SBendtrans-70133.5175.9-1700000110.5I703 A704 D708 A709I703-S706 WeakPolarHBondContact O-CB 3.4Å; I703-S706 PolarHBondContact O-N 3.16Å; I703-S706 VanDerWaalsContact O-N 3.07Å; A704-S706 PolarHBondContact O-N 2.89Å; S706-D708 PolarHBondContact O-N 3.07Å; S706-D708 VanDerWaalsContact O-N 3.11Å; S706-A709 WeakPolarHBondContact O-CB 3.26Å; S706-A709 PolarHBondContact O-N 3.26Å
707E69Low89.5Confident195 Ų19533.8 Ų33.891%0.91119%0.188SC*.THydrogen-bonded Turntrans-55-34.6-176.3-63.3-178173.600113.2A709E707-A709 VanDerWaalsContact C-N 3.35Å; E707-A709 PolarHBondContact O-N 2.86Å
708D70.8Confident89.5Confident116 Ų11633.6 Ų33.662%0.6219%0.187SC*.THydrogen-bonded Turntrans-76.8-12.9-179.4-63.1-41.7000114.9S706S706-D708 PolarHBondContact O-N 3.07Å; S706-D708 VanDerWaalsContact O-N 3.11Å
709A73.7Confident89.5Confident1 Ų133.6 Ų33.61%0.00819%0.187CC..  trans-79.4-33.6-164.500000113.5I703 S706 E707 V711I703-A709 WeakPolarHBondContact O-CB 3.21Å; S706-A709 WeakPolarHBondContact O-CB 3.26Å; S706-A709 PolarHBondContact O-N 3.26Å; E707-A709 VanDerWaalsContact C-N 3.35Å; E707-A709 PolarHBondContact O-N 2.86Å; A709-V711 HydrophobicContact CB-CG1 3.91Å; A709-V711 WeakPolarHBondContact O-CB 3.24Å; A709-V711 WeakPolarHBondContact O-CG1 3.42Å; A709-V711 PolarHBondContact O-N 3.39Å
710N84.6Confident89.6Confident76 Ų7634.1 Ų34.141%0.40619%0.189SC..  trans38.938.8-175.8-166.132.3000114.1P681 R682P681-N710 WeakPolarHBondContact CA-OD1 3.34Å; R682-N710 PolarHBondContact N-O 3.01Å
711V88.9Confident89.7Confident5 Ų534 Ų343%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-140.4140.8-173.969.20000109.4R682 V684 A704 A709 F713R682-V711 HydrophobicContact CB-CG2 4.43Å; R682-V711 CarbonylContact O-C 3.43Å; R682-V711 WeakPolarHBondContact O-CA 3.37Å; R682-V711 WeakPolarHBondContact O-CG2 3.42Å; V684-V711 HydrophobicContact CB-CG2 4.1Å; V684-V711 HydrophobicContact CG2-CG2 3.59Å; A704-V711 WeakPolarHBondContact CB-O 3.5Å; A709-V711 HydrophobicContact CB-CG1 3.91Å; A709-V711 WeakPolarHBondContact O-CB 3.24Å; A709-V711 WeakPolarHBondContact O-CG1 3.42Å; A709-V711 PolarHBondContact O-N 3.39Å; V711-F713 HydrophobicContact CG1-CE2 3.9Å; V711-F713 HydrophobicContact CG1-CZ 3.8Å; V711-F713 HydrophobicContact CG2-CE1 4.04Å; V711-F713 HydrophobicContact CG2-CZ 4.1Å
712E92.1Very high89.9Confident75 Ų7532.5 Ų32.535%0.3518%0.184SC..EExtended strand (participates in β ladder)trans-120137.6171.5-75.5-178158.800109.2P8 P681 R682 V684P8-E712 WeakPolarHBondContact CA-OE2 3.45Å; P8-E712 HydrophobicContact CB-CB 3.79Å; P8-E712 WeakPolarHBondContact CB-OE2 3.36Å; P8-E712 HydrophobicContact CG-CB 3.69Å; P8-E712 HydrophobicContact CG-CG 4.32Å; P681-E712 HydrophobicContact CB-CG 3.93Å; P681-E712 HydrophobicContact CG-CG 3.95Å; R682-E712 PolarHBondContact O-N 3.18Å; V684-E712 PolarHBondContact N-O 3.36Å
713F95.2Very high90.2Very high11 Ų1130.9 Ų30.95%0.04817%0.174CC..EExtended strand (participates in β ladder)trans-103.7136.6-178.4-64.2-67.7000111.5I543 T547 V684 V686 L700 I703 A704 V711I543-F713 HydrophobicContact CG2-CE1 3.82Å; I543-F713 HydrophobicContact CG2-CZ 4.05Å; T547-F713 HydrophobicContact CG2-CE1 4.03Å; T547-F713 HydrophobicContact CG2-CZ 4.31Å; V684-F713 HydrophobicContact CB-CD1 3.92Å; V684-F713 HydrophobicContact CB-CE1 4Å; V684-F713 HydrophobicContact CG1-CD1 4.13Å; V684-F713 HydrophobicContact CG1-CE1 4.07Å; V684-F713 WeakPolarHBondContact O-CA 3.41Å; V686-F713 HydrophobicContact CG2-CD1 3.7Å; V686-F713 HydrophobicContact CG2-CE1 4.23Å; L700-F713 HydrophobicContact CB-CD2 4.01Å; L700-F713 HydrophobicContact CB-CG 4.49Å; L700-F713 HydrophobicContact CD2-CD2 4.3Å; L700-F713 HydrophobicContact CD2-CE2 4.22Å; L700-F713 HydrophobicContact CD2-CZ 4.46Å; I703-F713 HydrophobicContact CG2-CE2 3.99Å; A704-F713 HydrophobicContact CB-CD2 3.95Å; A704-F713 HydrophobicContact CB-CE2 4.17Å; V711-F713 HydrophobicContact CG1-CE2 3.9Å; V711-F713 HydrophobicContact CG1-CZ 3.8Å; V711-F713 HydrophobicContact CG2-CE1 4.04Å; V711-F713 HydrophobicContact CG2-CZ 4.1Å
714V97.5Very high90.7Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-112.2117.1161.4177.20000107.7P8 L9 D153 I683 V684 V685 V686P8-V714 HydrophobicContact CB-CG2 3.97Å; P8-V714 HydrophobicContact CG-CG2 4.11Å; L9-V714 HydrophobicContact CD1-CG2 4.13Å; L9-V714 HydrophobicContact CG-CG2 4.26Å; D153-V714 CarbonylContact O-C 3.54Å; D153-V714 WeakPolarHBondContact O-CA 3.25Å; I683-V714 HydrophobicContact CG2-CG2 4.23Å; V684-V714 PolarHBondContact O-N 3.1Å; V685-V714 CarbonylContact C-O 3.59Å; V685-V714 VanDerWaalsContact CA-O 3.28Å; V685-V714 WeakPolarHBondContact CA-O 3.39Å; V685-V714 HydrophobicContact CG2-CB 4.34Å; V686-V714 PolarHBondContact N-O 3.31Å
715V98.4Very high91.1Very high2 Ų233.8 Ų33.81%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-90.9129.7-178.8-178.50000109.5D153 V154 L155 V686 F688 I697 L700D153-V715 PolarHBondContact O-N 2.62Å; V154-V715 CarbonylContact C-O 3.56Å; V154-V715 WeakPolarHBondContact CA-O 3.18Å; V154-V715 HydrophobicContact CG1-CB 4.34Å; V154-V715 HydrophobicContact CG2-CB 4.31Å; L155-V715 PolarHBondContact N-O 3Å; V686-V715 CarbonylContact O-C 3.47Å; V686-V715 WeakPolarHBondContact O-CA 3.47Å; F688-V715 HydrophobicContact CD2-CG1 3.99Å; F688-V715 HydrophobicContact CE2-CG1 4.27Å; I697-V715 HydrophobicContact CD1-CG1 4.18Å; I697-V715 HydrophobicContact CG1-CG1 4.28Å; I697-V715 HydrophobicContact CG1-CG2 4.39Å; I697-V715 HydrophobicContact CG2-CG2 4.42Å; L700-V715 HydrophobicContact CD1-CG2 3.88Å
716I98.6Very high91.6Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-119.7129.1171.7-48.6-173.2000107.5I147 L155 F178 L182 F185 V685 V686 G687 F688I147-I716 HydrophobicContact CD1-CG2 4.04Å; I147-I716 HydrophobicContact CG2-CG2 4.02Å; L155-I716 HydrophobicContact CB-CB 4.42Å; L155-I716 HydrophobicContact CB-CG1 4.13Å; L155-I716 HydrophobicContact CB-CG2 4.11Å; L155-I716 HydrophobicContact CD1-CD1 3.94Å; L155-I716 HydrophobicContact CD1-CG1 4.06Å; L155-I716 HydrophobicContact CG-CG1 4.48Å; L155-I716 CarbonylContact O-C 3.55Å; L155-I716 VanDerWaalsContact O-CA 3.28Å; L155-I716 WeakPolarHBondContact O-CA 3.25Å; F178-I716 HydrophobicContact CE2-CG2 3.7Å; F178-I716 HydrophobicContact CZ-CB 4.41Å; F178-I716 HydrophobicContact CZ-CG2 3.98Å; L182-I716 HydrophobicContact CD2-CD1 3.82Å; L182-I716 HydrophobicContact CD2-CG2 4.33Å; F185-I716 HydrophobicContact CD2-CD1 3.87Å; F185-I716 HydrophobicContact CE2-CD1 4.11Å; F185-I716 HydrophobicContact CG-CD1 4.34Å; V685-I716 HydrophobicContact CG1-CD1 3.44Å; V685-I716 VanDerWaalsContact CG1-CD1 3.44Å; V685-I716 HydrophobicContact CG1-CG1 3.68Å; V686-I716 PolarHBondContact O-N 2.91Å; G687-I716 CarbonylContact C-O 3.53Å; G687-I716 WeakPolarHBondContact CA-O 3.33Å; F688-I716 PolarHBondContact N-O 2.79Å
717T98.6Very high92.4Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-137.1151-176.8-177.50000112.5L155 S156 M157 F688 V692 G719L155-T717 PolarHBondContact O-N 2.82Å; S156-T717 WeakPolarHBondContact CA-O 3.49Å; S156-T717 WeakPolarHBondContact OG-CG2 3.3Å; M157-T717 PolarHBondContact N-O 3.24Å; F688-T717 WeakPolarHBondContact O-CA 3.23Å; V692-T717 HydrophobicContact CG1-CG2 3.78Å; T717-G719 PolarHBondContact O-N 3.39Å; T717-G719 PolarHBondContact OG1-N 3.08Å; T717-G719 VanDerWaalsContact OG1-N 3.1Å; T717-G719 PolarHBondContact OG1-O 2.97Å
718T97.9Very high93.6Very high0 Ų021 Ų210%011%0.113CC..SBendtrans-66.5-25.3167.457.60000111.7M157 E158 D159 C162 F178 F688 G690 G691M157-T718 WeakPolarHBondContact CB-O 3.5Å; M157-T718 HydrophobicContact SD-CG2 4.32Å; E158-T718 PolarHBondContact N-O 2.68Å; D159-T718 CarbonylContact C-O 3.56Å; D159-T718 WeakPolarHBondContact CA-O 3.38Å; D159-T718 PolarHBondContact N-O 3.36Å; C162-T718 HydrophobicContact CB-CG2 4.35Å; F178-T718 HydrophobicContact CB-CG2 4.17Å; F178-T718 HydrophobicContact CD2-CG2 3.67Å; F178-T718 HydrophobicContact CE2-CG2 4.14Å; F178-T718 HydrophobicContact CG-CG2 3.88Å; F688-T718 PolarHBondContact O-N 2.9Å; F688-T718 VanDerWaalsContact O-N 3.15Å; G690-T718 WeakPolarHBondContact CA-OG1 3.21Å; G690-T718 PolarHBondContact N-OG1 2.81Å; G691-T718 PolarHBondContact N-OG1 2.97Å
719G97.5Very high94.8Very high0 Ų016 Ų160%09%0.086CC..  trans176.6169.3176.900000113.5G691 V692 T717G691-G719 WeakPolarHBondContact CA-O 3.36Å; V692-G719 PolarHBondContact N-O 3.28Å; V692-G719 VanDerWaalsContact N-O 3.07Å; T717-G719 PolarHBondContact O-N 3.39Å; T717-G719 PolarHBondContact OG1-N 3.08Å; T717-G719 VanDerWaalsContact OG1-N 3.1Å; T717-G719 PolarHBondContact OG1-O 2.97Å
720F98.1Very high95.7Very high12 Ų1215.9 Ų15.95%0.0539%0.086CC..BIsolated β-bridgetrans-85.8142.1168.4-67.7-80.8000110.3V150 V154 S160 V692 H694 I697V150-F720 HydrophobicContact CB-CE2 4.48Å; V150-F720 HydrophobicContact CG1-CE2 4.19Å; V150-F720 HydrophobicContact CG2-CE2 4.43Å; V154-F720 HydrophobicContact CG1-CZ 3.87Å; S160-F720 WeakPolarHBondContact CB-O 3.32Å; V692-F720 HydrophobicContact CG1-CD1 4.3Å; V692-F720 HydrophobicContact CG1-CE1 4.41Å; V692-F720 CarbonylContact O-C 3.48Å; V692-F720 VanDerWaalsContact O-CA 3.31Å; V692-F720 WeakPolarHBondContact O-CA 3.24Å; H694-F720 AromaticContact CD2-CD1 3.95Å; H694-F720 AromaticContact CE1-CD1 3.8Å; H694-F720 AromaticContact CE1-CE1 3.56Å; H694-F720 AromaticContact CE1-CZ 3.99Å; H694-F720 AromaticContact ND1-CE1 3.87Å; H694-F720 AromaticContact NE2-CD1 3.64Å; H694-F720 AromaticContact NE2-CE1 3.9Å; H694-F720 AromaticContact NE2-CG 3.97Å; I697-F720 HydrophobicContact CD1-CE1 3.64Å; I697-F720 HydrophobicContact CD1-CZ 4.33Å
721I97.9Very high96Very high1 Ų113.3 Ų13.31%0.0057%0.073CC..  trans-135.7134.8178.859.4-177.9000111.6R244 P251 V692 S725 F726R244-I721 HydrophobicContact CG-CD1 4.27Å; P251-I721 HydrophobicContact CB-CD1 3.75Å; P251-I721 HydrophobicContact CB-CG1 4.25Å; P251-I721 HydrophobicContact CG-CD1 3.59Å; P251-I721 HydrophobicContact CG-CG1 4.46Å; V692-I721 PolarHBondContact O-N 2.82Å; I721-S725 WeakPolarHBondContact CA-OG 3.3Å; I721-F726 HydrophobicContact CD1-CD2 4.4Å
722T97.9Very high95.3Very high9 Ų917 Ų176%0.0559%0.09CC..  trans-109.1169.1161.563.40000109.1P251 D263 E264 Q724 S725 F726P251-T722 CarbonylContact O-C 3.54Å; D263-T722 HydrophobicContact CB-CG2 4.19Å; D263-T722 WeakPolarHBondContact OD2-CG2 3.45Å; E264-T722 HydrophobicContact CG-CG2 4.41Å; E264-T722 WeakPolarHBondContact OE1-CB 3.46Å; T722-Q724 PolarHBondContact O-N 2.87Å; T722-S725 PolarHBondContact N-OG 3.01Å; T722-S725 PolarHBondContact O-N 3.3Å; T722-S725 PolarHBondContact O-OG 3.31Å; T722-S725 PolarHBondContact OG1-N 3.11Å; T722-S725 VanDerWaalsContact OG1-N 3.13Å; T722-S725 PolarHBondContact OG1-OG 2.86Å; T722-F726 VanDerWaalsContact O-CB 3.24Å; T722-F726 WeakPolarHBondContact O-CB 3.49Å; T722-F726 PolarHBondContact O-N 3.49Å
723A97.6Very high93.7Very high1 Ų118.8 Ų18.81%0.00811%0.109CC..Hα-helixtrans-60.2-38.1175.400000112.2P251 R408 F726 I727P251-A723 WeakPolarHBondContact O-CA 3.38Å; P251-A723 VanDerWaalsContact O-CB 3.28Å; P251-A723 WeakPolarHBondContact O-CB 3.22Å; P251-A723 PolarHBondContact O-N 2.96Å; R408-A723 HydrophobicContact CB-CB 4.36Å; R408-A723 VanDerWaalsContact NE-CB 3.34Å; A723-F726 PolarHBondContact O-N 3.24Å; A723-I727 WeakPolarHBondContact O-CB 3.43Å; A723-I727 WeakPolarHBondContact O-CG1 3.38Å; A723-I727 PolarHBondContact O-N 3.34Å
724Q95.8Very high91.9Very high67 Ų6721.9 Ų21.931%0.31313%0.128SC..Hα-helixtrans-56.7-57.8174.5-174.966.826.700110E404 T722 F726 I727 S728E404-Q724 VanDerWaalsContact CB-OE1 3.25Å; E404-Q724 VanDerWaalsContact CG-NE2 3.32Å; E404-Q724 PolarHBondContact OE1-NE2 3.13Å; E404-Q724 PolarHBondContact OE2-NE2 2.88Å; T722-Q724 PolarHBondContact O-N 2.87Å; Q724-F726 VanDerWaalsContact C-N 3.29Å; Q724-F726 PolarHBondContact O-N 3.48Å; Q724-I727 PolarHBondContact O-N 3.35Å; Q724-S728 PolarHBondContact NE2-OG 2.89Å; Q724-S728 WeakPolarHBondContact O-CB 3.47Å; Q724-S728 PolarHBondContact O-N 2.88Å; Q724-S728 PolarHBondContact O-OG 2.82Å
725S95.7Very high89.9Confident26 Ų2630.9 Ų30.918%0.18217%0.168CC..Hα-helixtrans-64.2-34.5-177.468.70000113.1I721 T722 S729I721-S725 WeakPolarHBondContact CA-OG 3.3Å; T722-S725 PolarHBondContact N-OG 3.01Å; T722-S725 PolarHBondContact O-N 3.3Å; T722-S725 PolarHBondContact O-OG 3.31Å; T722-S725 PolarHBondContact OG1-N 3.11Å; T722-S725 VanDerWaalsContact OG1-N 3.13Å; T722-S725 PolarHBondContact OG1-OG 2.86Å; S725-S729 WeakPolarHBondContact O-CB 3.5Å; S725-S729 PolarHBondContact O-N 3.02Å
726F97.5Very high87.8Confident0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-70.3-50.3-179.5-175.2-113.2000110.8F163 R244 P251 L252 L452 I721 T722 A723 Q724 S729 L730F163-F726 HydrophobicContact CB-CE2 4.4Å; F163-F726 HydrophobicContact CD1-CD2 4.34Å; F163-F726 AromaticContact CD1-CE2 3.42Å; F163-F726 HydrophobicContact CD1-CE2 3.42Å; F163-F726 VanDerWaalsContact CD1-CE2 3.42Å; F163-F726 AromaticContact CD1-CZ 3.98Å; F163-F726 HydrophobicContact CD1-CZ 3.98Å; F163-F726 HydrophobicContact CD2-CE2 4.45Å; F163-F726 AromaticContact CE1-CE2 3.68Å; F163-F726 HydrophobicContact CE1-CE2 3.68Å; F163-F726 AromaticContact CE1-CZ 3.72Å; F163-F726 HydrophobicContact CE1-CZ 3.72Å; F163-F726 AromaticContact CG-CE2 3.85Å; F163-F726 HydrophobicContact CG-CE2 3.85Å; F163-F726 HydrophobicContact CZ-CE2 4.3Å; F163-F726 HydrophobicContact CZ-CZ 4.18Å; R244-F726 HydrophobicContact CG-CE2 4.3Å; P251-F726 HydrophobicContact CB-CB 4.28Å; P251-F726 HydrophobicContact CB-CD1 4.06Å; P251-F726 HydrophobicContact CB-CD2 4.37Å; P251-F726 HydrophobicContact CB-CE1 4.49Å; P251-F726 HydrophobicContact CB-CG 4Å; L252-F726 HydrophobicContact CD2-CD1 3.78Å; L252-F726 HydrophobicContact CD2-CE1 4.14Å; L252-F726 HydrophobicContact CG-CD1 4.45Å; L452-F726 HydrophobicContact CD1-CE1 3.78Å; L452-F726 HydrophobicContact CD1-CZ 4.29Å; I721-F726 HydrophobicContact CD1-CD2 4.4Å; T722-F726 VanDerWaalsContact O-CB 3.24Å; T722-F726 WeakPolarHBondContact O-CB 3.49Å; T722-F726 PolarHBondContact O-N 3.49Å; A723-F726 PolarHBondContact O-N 3.24Å; Q724-F726 VanDerWaalsContact C-N 3.29Å; Q724-F726 PolarHBondContact O-N 3.48Å; F726-S729 WeakPolarHBondContact O-CB 3.1Å; F726-S729 PolarHBondContact O-N 3.49Å; F726-S729 PolarHBondContact O-OG 3.38Å; F726-L730 HydrophobicContact CE1-CD1 4.37Å; F726-L730 WeakPolarHBondContact O-CG 3.34Å
727I96.9Very high85.8Confident0 Ų041.6 Ų41.60%024%0.238CC..Hα-helixtrans-65.7-46.4175.9-64.4-64.3000110.8L252 E404 L407 R408 L447 A723 Q724 S729 L730 C731L252-I727 HydrophobicContact CD2-CD1 3.59Å; L252-I727 HydrophobicContact CD2-CG1 3.96Å; E404-I727 HydrophobicContact CB-CB 4.28Å; E404-I727 HydrophobicContact CB-CG2 4.08Å; E404-I727 HydrophobicContact CG-CB 4.19Å; E404-I727 HydrophobicContact CG-CG2 3.84Å; L407-I727 HydrophobicContact CB-CG2 3.89Å; L407-I727 HydrophobicContact CD1-CG2 3.93Å; R408-I727 HydrophobicContact CB-CG1 4.33Å; L447-I727 HydrophobicContact CD2-CD1 4.34Å; A723-I727 WeakPolarHBondContact O-CB 3.43Å; A723-I727 WeakPolarHBondContact O-CG1 3.38Å; A723-I727 PolarHBondContact O-N 3.34Å; Q724-I727 PolarHBondContact O-N 3.35Å; I727-S729 PolarHBondContact O-N 3.36Å; I727-S729 VanDerWaalsContact O-N 3.13Å; I727-L730 WeakPolarHBondContact O-CA 3.27Å; I727-L730 WeakPolarHBondContact O-CB 3.37Å; I727-L730 PolarHBondContact O-N 3.41Å; I727-C731 PolarHBondContact O-N 3.38Å; I727-C731 PolarHBondContact O-SG 3.2Å; I727-C731 VanDerWaalsContact O-SG 3.33Å
728S95Very high83.9Confident40 Ų4048.9 Ų48.928%0.2828%0.276SS..Hα-helixtrans-58.5-28.7177.1-61.60000112.2E404 Q724 L730 C731E404-S728 WeakPolarHBondContact CG-OG 3.4Å; E404-S728 PolarHBondContact OE1-OG 3.07Å; Q724-S728 PolarHBondContact NE2-OG 2.89Å; Q724-S728 WeakPolarHBondContact O-CB 3.47Å; Q724-S728 PolarHBondContact O-N 2.88Å; Q724-S728 PolarHBondContact O-OG 2.82Å; S728-L730 VanDerWaalsContact C-N 3.28Å; S728-L730 PolarHBondContact O-N 2.86Å; S728-C731 PolarHBondContact O-N 2.82Å
729S94.6Very high82Confident9 Ų956 Ų566%0.06331%0.314CS..Hα-helixtrans-68.5-25.5173.581.70000113.9Q161 A164 S725 F726 I727Q161-S729 VanDerWaalsContact NE2-CB 3.29Å; A164-S729 WeakPolarHBondContact CB-O 3.44Å; S725-S729 WeakPolarHBondContact O-CB 3.5Å; S725-S729 PolarHBondContact O-N 3.02Å; F726-S729 WeakPolarHBondContact O-CB 3.1Å; F726-S729 PolarHBondContact O-N 3.49Å; F726-S729 PolarHBondContact O-OG 3.38Å; I727-S729 PolarHBondContact O-N 3.36Å; I727-S729 VanDerWaalsContact O-N 3.13Å
730L94.2Very high80.1Confident0 Ų062.6 Ų62.60%035%0.348CS..Hα-helixtrans-91.1-19178-55.1173.7000111.5F163 A164 I168 N446 L447 V450 L452 F726 I727 S728F163-L730 HydrophobicContact CD1-CD2 4.21Å; F163-L730 HydrophobicContact CE1-CD2 4.14Å; A164-L730 HydrophobicContact CB-CD2 4.02Å; I168-L730 HydrophobicContact CD1-CD2 3.48Å; I168-L730 VanDerWaalsContact CD1-CD2 3.48Å; I168-L730 HydrophobicContact CG1-CD2 4.49Å; N446-L730 WeakPolarHBondContact CB-O 3.47Å; N446-L730 PolarHBondContact ND2-O 3.33Å; L447-L730 HydrophobicContact CD2-CB 4.29Å; L447-L730 HydrophobicContact CD2-CD1 3.71Å; V450-L730 HydrophobicContact CG2-CD2 4.2Å; L452-L730 HydrophobicContact CD1-CD1 3.59Å; F726-L730 HydrophobicContact CE1-CD1 4.37Å; F726-L730 WeakPolarHBondContact O-CG 3.34Å; I727-L730 WeakPolarHBondContact O-CA 3.27Å; I727-L730 WeakPolarHBondContact O-CB 3.37Å; I727-L730 PolarHBondContact O-N 3.41Å; S728-L730 VanDerWaalsContact C-N 3.28Å; S728-L730 PolarHBondContact O-N 2.86Å
731C90.7Very high78.4Confident21 Ų2167.8 Ų67.814%0.14238%0.382CS..  trans-68.9126.6170.4-64.10000110.5T443 I727 S728 P733T443-C731 HydrophobicContact CG2-CB 4.29Å; T443-C731 VanDerWaalsContact CG2-SG 3.59Å; I727-C731 PolarHBondContact O-N 3.38Å; I727-C731 PolarHBondContact O-SG 3.2Å; I727-C731 VanDerWaalsContact O-SG 3.33Å; S728-C731 PolarHBondContact O-N 2.82Å; C731-P733 WeakPolarHBondContact O-CD 3.32Å
732Q74Confident76.3Confident82 Ų8280.5 Ų80.538%0.38344%0.438SS..  trans-105.5101.2167.1-78-178.11500108.6F442 N446 V734F442-Q732 HydrophobicContact CB-CB 4.34Å; N446-Q732 PolarHBondContact ND2-NE2 3.36Å; Q732-V734 PolarHBondContact O-N 3.21Å
733P57.2Low75.2Confident114 Ų11484.1 Ų84.174%0.7446%0.457SS*.  trans-68.3106.1170.127-30.8000107.7C731 K735C731-P733 WeakPolarHBondContact O-CD 3.32Å; P733-K735 PolarHBondContact O-N 2.99Å; P733-K735 VanDerWaalsContact O-N 3.1Å
734V58.6Low74Confident76 Ų7688.4 Ų88.446%0.46148%0.481SS..  trans-64.7111.4162.1-179.10000105.2E439 F442 Q732 S736E439-V734 HydrophobicContact CB-CB 4.33Å; F442-V734 HydrophobicContact CD2-CG2 3.44Å; F442-V734 VanDerWaalsContact CD2-CG2 3.44Å; F442-V734 HydrophobicContact CE2-CG2 3.55Å; F442-V734 HydrophobicContact CG-CG2 4.49Å; Q732-V734 PolarHBondContact O-N 3.21Å; V734-S736 PolarHBondContact O-N 3.46Å
735K55.5Low72.8Confident189 Ų18989.6 Ų89.682%0.82249%0.49SS*.  trans-59.3115.3167.5-72.2-173.5178.4-176.50106P733 T737P733-K735 PolarHBondContact O-N 2.99Å; P733-K735 VanDerWaalsContact O-N 3.1Å; K735-T737 PolarHBondContact O-N 3.11Å
736S53.8Low71.4Confident105 Ų10593.4 Ų93.473%0.73451%0.508SS*.  trans-53.2108.9166.643.10000106.6V734 N738V734-S736 PolarHBondContact O-N 3.46Å; S736-N738 PolarHBondContact O-N 2.84Å
737T57.2Low69.8Low122 Ų12299.2 Ų99.275%0.74854%0.54SS*.  trans-59.4127.2165.1-17.50000104.4K735 L739K735-T737 PolarHBondContact O-N 3.11Å; T737-L739 VanDerWaalsContact C-N 3.28Å; T737-L739 PolarHBondContact O-N 2.91Å
738N57.9Low68Low152 Ų152105.8 Ų105.881%0.81358%0.576SS**  trans-53.2106.2164.6-75.3-27.3000105.3S736 I740S736-N738 PolarHBondContact O-N 2.84Å; N738-I740 PolarHBondContact O-N 3.49Å
739L59.4Low66.1Low150 Ų150110.5 Ų110.579%0.78560%0.597SS**  trans-54.2121.7169.9-74165.7000103.9T737 P741T737-L739 VanDerWaalsContact C-N 3.28Å; T737-L739 PolarHBondContact O-N 2.91Å; L739-P741 VanDerWaalsContact O-CD 3.28Å; L739-P741 WeakPolarHBondContact O-CD 3.48Å
740I57.3Low63.9Low139 Ų139118.3 Ų118.371%0.71364%0.638SS**  trans-50.3117.5171.2-60.4170.5000103.8N738 F742N738-I740 PolarHBondContact O-N 3.49Å; I740-F742 PolarHBondContact O-N 3.11Å
741P61.5Low61.4Low120 Ų120128.2 Ų128.278%0.77969%0.691SS**  trans-60.1110.3177.823.5-29.5000105.2L739L739-P741 VanDerWaalsContact O-CD 3.28Å; L739-P741 WeakPolarHBondContact O-CD 3.48Å
742F53.2Low58.7Low268 Ų268137.9 Ų137.9100%1.17574%0.741SS**  trans-60.80178.6-86.6-82000110.3I740I740-F742 PolarHBondContact O-N 3.11Å

Retrieved 742 of 742 residues in 1309.5 ms (Link to these results)

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