A0A3Q0KEX4_SCHMA Loading...

Ribonuclease

Catalytic subunit of RNase HII, an endonuclease that specifically degrades the RNA of RNA:DNA hybrids. Participates in DNA replication, possibly by mediating the removal of lagging-strand Okazaki fragment RNA primers during DNA replication. Mediates the excision of single ribonucleotides from DNA:RNA duplexes. Endonuclease that specifically degrades the RNA of RNA-DNA hybrids.

AlphaFold DB , UniProt , Accession A0A3Q0KEX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M94.3Very high94.3Very high39 Ų3945.5 Ų45.519%0.19227%0.268CS..  0140.20-179.3163.972.300106.7Y3 I53 I58 L70 I73M1-Y3 HydrophobicContact CE-CD2 4.47Å; M1-Y3 HydrophobicContact CE-CE2 3.87Å; M1-Y3 HydrophobicContact CG-CD2 4.27Å; M1-Y3 HydrophobicContact CG-CE2 4.03Å; M1-Y3 HydrophobicContact SD-CE2 3.99Å; M1-I53 HydrophobicContact CB-CB 4.32Å; M1-I53 HydrophobicContact CB-CD1 4.4Å; M1-I53 HydrophobicContact CE-CD1 3.5Å; M1-I53 VanDerWaalsContact CE-CD1 3.5Å; M1-I53 HydrophobicContact CG-CD1 4.44Å; M1-I53 PolarHBondContact N-O 3.14Å; M1-I53 PolarHBondContact O-N 3.38Å; M1-I58 HydrophobicContact CB-CD1 3.68Å; M1-I58 HydrophobicContact CE-CD1 4.45Å; M1-L70 HydrophobicContact CE-CD1 3.83Å; M1-L70 HydrophobicContact SD-CD1 4.07Å; M1-I73 HydrophobicContact CE-CG2 3.97Å
2V96.4Very high93.7Very high24 Ų2445.8 Ų45.815%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-124.9125.2-176.9-177.30000108.7V50 H51 V52 A139 T142 R143V2-V50 HydrophobicContact CG1-CG1 3.31Å; V2-H51 WeakPolarHBondContact CA-O 3.3Å; V2-V52 HydrophobicContact CG1-CG2 4.35Å; V2-V52 HydrophobicContact CG2-CG1 4.31Å; V2-V52 HydrophobicContact CG2-CG2 4.21Å; V2-A139 HydrophobicContact CG1-CB 4.23Å; V2-T142 HydrophobicContact CG1-CG2 4.32Å; V2-R143 HydrophobicContact CB-CB 4.28Å; V2-R143 HydrophobicContact CG2-CB 3.76Å; V2-R143 HydrophobicContact CG2-CG 4.32Å
3Y96.8Very high92.9Very high69 Ų6946.5 Ų46.527%0.27127%0.266SS..EExtended strand (participates in β ladder)trans-105.2143.5168.7-88.3-97.6000108.7M1 V50 H51 I53 S74 A78M1-Y3 HydrophobicContact CE-CD2 4.47Å; M1-Y3 HydrophobicContact CE-CE2 3.87Å; M1-Y3 HydrophobicContact CG-CD2 4.27Å; M1-Y3 HydrophobicContact CG-CE2 4.03Å; M1-Y3 HydrophobicContact SD-CE2 3.99Å; Y3-V50 CarbonylContact O-C 3.37Å; Y3-V50 WeakPolarHBondContact O-CA 3.2Å; Y3-V50 WeakPolarHBondContact O-CG1 3.47Å; Y3-H51 PolarHBondContact N-O 3.31Å; Y3-H51 PolarHBondContact O-N 2.9Å; Y3-I53 HydrophobicContact CD2-CD1 4.06Å; Y3-S74 WeakPolarHBondContact OH-CB 3.34Å; Y3-S74 PolarHBondContact OH-OG 3.27Å; Y3-A78 HydrophobicContact CD1-CB 4.36Å; Y3-A78 HydrophobicContact CE1-CB 4.42Å
4A96.7Very high92.2Very high20 Ų2051.5 Ų51.517%0.16529%0.292CS..EExtended strand (participates in β ladder)trans-138148.2174.800000110.3V49 V50 A135 F138 A139A4-V49 CarbonylContact C-O 3.57Å; A4-V49 VanDerWaalsContact CA-O 3.31Å; A4-V49 WeakPolarHBondContact CA-O 3.49Å; A4-V50 HydrophobicContact CB-CG2 4.01Å; A4-A135 WeakPolarHBondContact CB-O 3.5Å; A4-F138 HydrophobicContact CB-CB 3.95Å; A4-A139 HydrophobicContact CB-CB 3.82Å
5C95.2Very high91.6Very high27 Ų2754 Ų5418%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-120.8124.6170.4176.40000107A48 V49 L81C5-A48 CarbonylContact O-C 3.55Å; C5-A48 WeakPolarHBondContact O-CA 3.35Å; C5-A48 WeakPolarHBondContact O-CB 3.45Å; C5-V49 PolarHBondContact N-O 2.66Å; C5-V49 PolarHBondContact O-N 2.61Å; C5-L81 HydrophobicContact CB-CB 4.15Å; C5-L81 HydrophobicContact CB-CD1 4.32Å
6A94.9Very high91.1Very high11 Ų1150.6 Ų50.69%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-101.5141.8171.800000109.4S47 I131 A134 A135 F138A6-S47 CarbonylContact C-O 3.52Å; A6-S47 WeakPolarHBondContact CA-O 3.31Å; A6-I131 HydrophobicContact CB-CD1 3.69Å; A6-I131 HydrophobicContact CB-CG1 4.23Å; A6-I131 WeakPolarHBondContact O-CG1 3.5Å; A6-A134 HydrophobicContact CB-CB 4.03Å; A6-A135 HydrophobicContact CB-CB 3.91Å; A6-F138 HydrophobicContact CB-CD2 4.32Å; A6-F138 HydrophobicContact CB-CE2 4.42Å
7L94.5Very high90.5Very high29 Ų2955 Ų5515%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-120135.3-176.7-59.3171.4000109.1I46 S47 V85L7-I46 WeakPolarHBondContact O-CA 3.45Å; L7-I46 WeakPolarHBondContact O-CG1 3.38Å; L7-S47 PolarHBondContact N-O 2.99Å; L7-S47 PolarHBondContact O-N 3.21Å; L7-S47 VanDerWaalsContact O-N 3.13Å; L7-V85 HydrophobicContact CD1-CG1 3.94Å; L7-V85 HydrophobicContact CD1-CG2 3.98Å; L7-V85 HydrophobicContact CD2-CB 4.45Å; L7-V85 HydrophobicContact CD2-CG1 3.61Å; L7-V85 HydrophobicContact CD2-CG2 3.99Å; L7-V85 HydrophobicContact CG-CG1 4.42Å; L7-V85 HydrophobicContact CG-CG2 4.4Å
8S93.2Very high89.9Confident30 Ų3058.9 Ų58.921%0.2133%0.325CS..  trans-144.5143.1175.61750000109.2W45S8-W45 WeakPolarHBondContact OG-CZ3 3.36Å
9P93.4Very high89.3Confident53 Ų5357.2 Ų57.234%0.34432%0.315SS..  trans-56.8142.8163.1-2133.2000110.7S11 Q12 W45P9-S11 PolarHBondContact O-N 2.97Å; P9-Q12 HydrophobicContact CB-CG 4.33Å; P9-Q12 HydrophobicContact CG-CG 4.44Å; P9-Q12 PolarHBondContact O-N 3.38Å; P9-Q12 VanDerWaalsContact O-N 3.1Å; P9-W45 HydrophobicContact CG-CB 4.18Å
10I91Very high88.5Confident102 Ų10256.7 Ų56.752%0.52332%0.324SS..G310 helixtrans-60.5-33.4178.1-61.7173.1000110.8Q12 L13 V93I10-Q12 PolarHBondContact O-N 3.37Å; I10-L13 HydrophobicContact CG2-CD1 4.12Å; I10-L13 WeakPolarHBondContact O-CG 3.38Å; I10-L13 PolarHBondContact O-N 3.4Å; I10-V93 HydrophobicContact CD1-CB 4.25Å
11S91.1Very high87.7Confident96 Ų9654.2 Ų54.267%0.67131%0.31SS*.G310 helixtrans-63.2-23.1178.553.40000114P9P9-S11 PolarHBondContact O-N 2.97Å
12Q87.4Confident86.1Confident49 Ų4955.4 Ų55.423%0.22933%0.326CS..G310 helixtrans-102.88.9-174.7-59.2-64.628.700114.3P9 I10 N14 E15 L16 W45P9-Q12 HydrophobicContact CB-CG 4.33Å; P9-Q12 HydrophobicContact CG-CG 4.44Å; P9-Q12 PolarHBondContact O-N 3.38Å; P9-Q12 VanDerWaalsContact O-N 3.1Å; I10-Q12 PolarHBondContact O-N 3.37Å; Q12-N14 PolarHBondContact O-N 2.97Å; Q12-E15 PolarHBondContact O-N 3.37Å; Q12-E15 PolarHBondContact OE1-OE1 3.21Å; Q12-E15 PolarHBondContact OE1-OE2 3.47Å; Q12-L16 PolarHBondContact O-N 3.3Å; Q12-W45 HydrophobicContact CB-CD2 3.93Å; Q12-W45 HydrophobicContact CB-CE3 4.01Å; Q12-W45 HydrophobicContact CB-CH2 3.75Å; Q12-W45 HydrophobicContact CB-CZ2 3.64Å; Q12-W45 HydrophobicContact CB-CZ3 3.93Å; Q12-W45 HydrophobicContact CG-CD2 3.9Å; Q12-W45 HydrophobicContact CG-CE3 4.4Å; Q12-W45 HydrophobicContact CG-CG 4.18Å; Q12-W45 HydrophobicContact CG-CZ2 4.18Å
13L83.2Confident84.3Confident55 Ų5559.2 Ų59.229%0.28835%0.346SS..Hα-helixtrans-57.9-36.7179.4-70.9172.4000112.7I10 E15 L16 E17I10-L13 HydrophobicContact CG2-CD1 4.12Å; I10-L13 WeakPolarHBondContact O-CG 3.38Å; I10-L13 PolarHBondContact O-N 3.4Å; L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.22Å; L13-L16 HydrophobicContact CD2-CD1 4.31Å; L13-L16 WeakPolarHBondContact O-CB 3.11Å; L13-L16 PolarHBondContact O-N 3.36Å; L13-E17 PolarHBondContact O-N 3.28Å
14N83Confident82.7Confident117 Ų11756 Ų5663%0.62633%0.333SS*.Hα-helixtrans-67-32.6177.6-63.2-20.4000112.5Q12 L16 E17 T18Q12-N14 PolarHBondContact O-N 2.97Å; N14-L16 VanDerWaalsContact C-N 3.35Å; N14-E17 PolarHBondContact O-N 2.92Å; N14-T18 PolarHBondContact O-N 3.29Å; N14-T18 PolarHBondContact O-OG1 3.15Å; N14-T18 VanDerWaalsContact O-OG1 3.12Å
15E83.8Confident81.1Confident89 Ų8959.9 Ų59.942%0.41635%0.346SS..Hα-helixtrans-68.7-36176.2-66.3-170171.700110.8Q12 L13 E17 T18 I19 W45Q12-E15 PolarHBondContact O-N 3.37Å; Q12-E15 PolarHBondContact OE1-OE1 3.21Å; Q12-E15 PolarHBondContact OE1-OE2 3.47Å; L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.22Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 3.4Å; E15-T18 WeakPolarHBondContact O-CB 3.41Å; E15-T18 PolarHBondContact O-N 3.35Å; E15-T18 VanDerWaalsContact O-N 3.15Å; E15-I19 WeakPolarHBondContact O-CG1 3.48Å; E15-I19 PolarHBondContact O-N 3.42Å; E15-W45 HydrophobicContact CB-CH2 4.39Å; E15-W45 HydrophobicContact CB-CZ2 3.88Å; E15-W45 WeakPolarHBondContact OE2-CZ2 3.36Å; E15-W45 PolarHBondContact OE2-NE1 2.87Å
16L82.7Confident79.9Confident0 Ų063.7 Ų63.70%037%0.369CS..Hα-helixtrans-61.5-38.9175.1-70.1176.5000112.8Q12 L13 N14 T18 I19 L21 W45 I46 P130 I131Q12-L16 PolarHBondContact O-N 3.3Å; L13-L16 HydrophobicContact CD2-CD1 4.31Å; L13-L16 WeakPolarHBondContact O-CB 3.11Å; L13-L16 PolarHBondContact O-N 3.36Å; N14-L16 VanDerWaalsContact C-N 3.35Å; L16-T18 VanDerWaalsContact C-N 3.26Å; L16-T18 PolarHBondContact O-N 3.29Å; L16-I19 HydrophobicContact CD2-CD1 4.25Å; L16-I19 PolarHBondContact O-N 3.39Å; L16-L21 HydrophobicContact CD2-CD1 4.42Å; L16-W45 HydrophobicContact CD1-CZ3 4.36Å; L16-W45 HydrophobicContact CD2-CH2 3.47Å; L16-W45 VanDerWaalsContact CD2-CH2 3.47Å; L16-W45 HydrophobicContact CD2-CZ3 3.71Å; L16-W45 HydrophobicContact CG-CH2 3.61Å; L16-W45 HydrophobicContact CG-CZ3 3.91Å; L16-I46 HydrophobicContact CD2-CD1 3.93Å; L16-P130 HydrophobicContact CB-CB 3.81Å; L16-I131 HydrophobicContact CD1-CB 4.22Å; L16-I131 HydrophobicContact CD1-CD1 3.92Å
17E80.8Confident79.1Confident125 Ų12564.5 Ų64.558%0.58437%0.372SS*.Hα-helixtrans-61.3-39.2175.8-69.5-177.317500111.3L13 N14 E15 I19 G20 P130L13-E17 PolarHBondContact O-N 3.28Å; N14-E17 PolarHBondContact O-N 2.92Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 3.4Å; E17-I19 PolarHBondContact O-N 3.44Å; E17-G20 PolarHBondContact O-N 3.48Å; E17-G20 VanDerWaalsContact O-N 3.12Å; E17-P130 HydrophobicContact CG-CG 3.5Å; E17-P130 VanDerWaalsContact CG-CG 3.5Å
18T80Confident78.6Confident125 Ų12567 Ų6777%0.76739%0.385SS*.Hα-helixtrans-66.3-25.2-178.9-53.90000112.7N14 E15 L16 G20N14-T18 PolarHBondContact O-N 3.29Å; N14-T18 PolarHBondContact O-OG1 3.15Å; N14-T18 VanDerWaalsContact O-OG1 3.12Å; E15-T18 WeakPolarHBondContact O-CB 3.41Å; E15-T18 PolarHBondContact O-N 3.35Å; E15-T18 VanDerWaalsContact O-N 3.15Å; L16-T18 VanDerWaalsContact C-N 3.26Å; L16-T18 PolarHBondContact O-N 3.29Å; T18-G20 PolarHBondContact O-N 3.12Å
19I79.2Confident78.2Confident26 Ų2668.9 Ų68.913%0.13339%0.391CS..THydrogen-bonded Turntrans-70.9-19177.8-61.6166.1000111.6E15 L16 E17 L21 M39 C43E15-I19 WeakPolarHBondContact O-CG1 3.48Å; E15-I19 PolarHBondContact O-N 3.42Å; L16-I19 HydrophobicContact CD2-CD1 4.25Å; L16-I19 PolarHBondContact O-N 3.39Å; E17-I19 PolarHBondContact O-N 3.44Å; I19-L21 HydrophobicContact CB-CG 4.28Å; I19-L21 HydrophobicContact CG2-CD2 3.82Å; I19-L21 HydrophobicContact CG2-CG 4.03Å; I19-M39 HydrophobicContact CD1-CG 4.49Å; I19-C43 WeakPolarHBondContact CD1-SG 3.24Å
20G72.9Confident77.9Confident48 Ų4872.3 Ų72.350%0.49541%0.406SS..THydrogen-bonded Turntrans76.239.8175.100000113.7E17 T18 A22E17-G20 PolarHBondContact O-N 3.48Å; E17-G20 VanDerWaalsContact O-N 3.12Å; T18-G20 PolarHBondContact O-N 3.12Å; G20-A22 PolarHBondContact O-N 2.99Å
21L71.5Confident77.8Confident5 Ų571.5 Ų71.53%0.02640%0.4CS..G310 helixtrans-71.9-11.1-176.4-61171.4000114.2L16 I19 D23 M39 S133 A134 I137L16-L21 HydrophobicContact CD2-CD1 4.42Å; I19-L21 HydrophobicContact CB-CG 4.28Å; I19-L21 HydrophobicContact CG2-CD2 3.82Å; I19-L21 HydrophobicContact CG2-CG 4.03Å; L21-D23 PolarHBondContact O-N 3.46Å; L21-M39 HydrophobicContact CD1-SD 4.16Å; L21-M39 HydrophobicContact CD2-SD 4.15Å; L21-S133 PolarHBondContact O-OG 3.3Å; L21-A134 HydrophobicContact CD1-CB 3.93Å; L21-I137 HydrophobicContact CD2-CD1 3.67Å
22A60.1Low77.7Confident64 Ų6468.6 Ų68.653%0.52937%0.374SS..G310 helixtrans-66.4-30.3-167.200000114.9G20 S24G20-A22 PolarHBondContact O-N 2.99Å; A22-S24 VanDerWaalsContact C-N 3.26Å; A22-S24 PolarHBondContact O-N 3.29Å; A22-S24 VanDerWaalsContact O-N 3.13Å
23D59.3Low77.9Confident104 Ų10468.1 Ų68.156%0.55637%0.372SS*.G310 helixtrans-88.833.6-174.7-162.45.1000113.6L21 K25 T26 L27L21-D23 PolarHBondContact O-N 3.46Å; D23-K25 PolarHBondContact O-N 3.26Å; D23-K25 VanDerWaalsContact O-N 3.15Å; D23-T26 PolarHBondContact OD1-OG1 3.1Å; D23-T26 VanDerWaalsContact OD1-OG1 3.08Å; D23-L27 WeakPolarHBondContact O-CG 3.46Å
24S62.4Low78.3Confident1 Ų171.8 Ų71.81%0.00739%0.386CS..THydrogen-bonded Turntrans-72.8-8.5-171.2810000115A22 K140A22-S24 VanDerWaalsContact C-N 3.26Å; A22-S24 PolarHBondContact O-N 3.29Å; A22-S24 VanDerWaalsContact O-N 3.13Å; S24-K140 PolarHBondContact OG-NZ 3.45Å
25K63.6Low78.5Confident102 Ų10267.8 Ų67.844%0.44336%0.364SS..THydrogen-bonded Turntrans-78.4-27.5-173.5-70.6178.3-179.9163.90113.3D23 D126 D127D23-K25 PolarHBondContact O-N 3.26Å; D23-K25 VanDerWaalsContact O-N 3.15Å; K25-D126 VanDerWaalsContact CE-CG 3.44Å; K25-D126 WeakPolarHBondContact CE-OD1 3.39Å; K25-D126 WeakPolarHBondContact CE-OD2 3.29Å; K25-D126 IonicContact NZ-OD1 3.66Å; K25-D126 PolarHBondContact NZ-OD1 3.05Å; K25-D126 IonicContact NZ-OD2 2.73Å; K25-D126 PolarHBondContact NZ-OD2 3.45Å; K25-D127 VanDerWaalsContact CE-OD1 3.3Å; K25-D127 WeakPolarHBondContact CE-OD1 3.25Å; K25-D127 IonicContact NZ-OD1 3.97Å; K25-D127 PolarHBondContact NZ-OD1 3.04Å; K25-D127 IonicContact NZ-OD2 2.85Å; K25-D127 PolarHBondContact NZ-OD2 3.24Å
26T69.7Low78.9Confident106 Ų10663.9 Ų63.965%0.6535%0.346SS*.SBendtrans-98.3-6-179.558.40000112.9D23 N28D23-T26 PolarHBondContact OD1-OG1 3.1Å; D23-T26 VanDerWaalsContact OD1-OG1 3.08Å; T26-N28 PolarHBondContact O-N 3.23Å
27L78.9Confident79.3Confident29 Ų2969.3 Ų69.315%0.15237%0.37CS..  trans-71.4132.3-174.8-58.5-179.8000112.3D23 Q31 R32 L35D23-L27 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 HydrophobicContact CB-CB 4.03Å; L27-Q31 HydrophobicContact CD2-CB 4.11Å; L27-Q31 HydrophobicContact CG-CB 4.49Å; L27-R32 HydrophobicContact CB-CG 3.85Å; L27-R32 HydrophobicContact CD1-CG 4.39Å; L27-R32 PolarHBondContact O-NH1 3.45Å; L27-L35 HydrophobicContact CD1-CD1 3.16Å; L27-L35 HydrophobicContact CD1-CG 4.36Å
28N83Confident79.6Confident82 Ų8266.3 Ų66.344%0.43936%0.356SS..  trans-69.7166.7167.470.240.7000111T26 N30 Q31 R32T26-N28 PolarHBondContact O-N 3.23Å; N28-N30 VanDerWaalsContact C-N 3.34Å; N28-N30 PolarHBondContact O-N 3.26Å; N28-N30 PolarHBondContact OD1-N 3.13Å; N28-Q31 VanDerWaalsContact CG-OE1 3.27Å; N28-Q31 PolarHBondContact ND2-OE1 3.27Å; N28-Q31 PolarHBondContact O-N 2.95Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.32Å; N28-Q31 VanDerWaalsContact OD1-CG 3.24Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.4Å; N28-Q31 PolarHBondContact OD1-N 3.28Å; N28-R32 PolarHBondContact O-N 3.39Å
29E85.1Confident80Confident69 Ų6960.4 Ų60.432%0.32232%0.319SS..Hα-helixtrans-56.1-45.4-177.9-174.7174.5179.800112.7Q31 R32 E33 D144 Q148E29-Q31 VanDerWaalsContact C-N 3.34Å; E29-Q31 PolarHBondContact O-N 2.99Å; E29-R32 PolarHBondContact O-N 2.9Å; E29-E33 WeakPolarHBondContact O-CG 3.29Å; E29-E33 PolarHBondContact O-N 2.94Å; E29-D144 HydrophobicContact CG-CB 4.22Å; E29-D144 WeakPolarHBondContact OE1-CB 3.46Å; E29-Q148 PolarHBondContact OE1-NE2 2.83Å
30N88.2Confident80.5Confident124 Ų12463.1 Ų63.166%0.66333%0.334SS*.Hα-helixtrans-63.3-38178.8-68.5-24.9000112.5N28 E33 K34N28-N30 VanDerWaalsContact C-N 3.34Å; N28-N30 PolarHBondContact O-N 3.26Å; N28-N30 PolarHBondContact OD1-N 3.13Å; N30-E33 PolarHBondContact O-N 2.85Å; N30-K34 WeakPolarHBondContact O-CB 3.36Å; N30-K34 PolarHBondContact O-N 3.38Å
31Q88.5Confident81.2Confident85 Ų8567.6 Ų67.640%0.39735%0.346SS..Hα-helixtrans-67.1-42.5175.8-75.8168.2-31.600110.8L27 N28 E29 E33 K34 L35L27-Q31 HydrophobicContact CB-CB 4.03Å; L27-Q31 HydrophobicContact CD2-CB 4.11Å; L27-Q31 HydrophobicContact CG-CB 4.49Å; N28-Q31 VanDerWaalsContact CG-OE1 3.27Å; N28-Q31 PolarHBondContact ND2-OE1 3.27Å; N28-Q31 PolarHBondContact O-N 2.95Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.32Å; N28-Q31 VanDerWaalsContact OD1-CG 3.24Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.4Å; N28-Q31 PolarHBondContact OD1-N 3.28Å; E29-Q31 VanDerWaalsContact C-N 3.34Å; E29-Q31 PolarHBondContact O-N 2.99Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.44Å; Q31-K34 PolarHBondContact O-N 2.95Å; Q31-L35 WeakPolarHBondContact O-CG 3.48Å; Q31-L35 PolarHBondContact O-N 2.83Å
32R89.5Confident81.9Confident35 Ų3574 Ų7413%0.13237%0.374CS..Hα-helixtrans-61.6-41.7174.4-69.2-166.1-69.2-106.26.4111.8L27 N28 E29 L36 V141 D144L27-R32 HydrophobicContact CB-CG 3.85Å; L27-R32 HydrophobicContact CD1-CG 4.39Å; L27-R32 PolarHBondContact O-NH1 3.45Å; N28-R32 PolarHBondContact O-N 3.39Å; E29-R32 PolarHBondContact O-N 2.9Å; R32-L36 WeakPolarHBondContact O-CB 3.1Å; R32-L36 PolarHBondContact O-N 3.47Å; R32-V141 HydrophobicContact CB-CG2 3.73Å; R32-D144 IonicContact CZ-OD2 2.77Å; R32-D144 IonicContact NE-OD2 2.72Å; R32-D144 IonicContact NH2-OD2 3.6Å; R32-D144 PolarHBondContact NH2-OD2 2.94Å
33E91.1Very high83.1Confident40 Ų4071.1 Ų71.119%0.18735%0.35CS..Hα-helixtrans-62.3-44174.6-71.8-132129.200112.5E29 N30 Q31 L36 K37 V141 R145E29-E33 WeakPolarHBondContact O-CG 3.29Å; E29-E33 PolarHBondContact O-N 2.94Å; N30-E33 PolarHBondContact O-N 2.85Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.44Å; E33-L36 PolarHBondContact O-N 3.12Å; E33-K37 WeakPolarHBondContact O-CG 3.44Å; E33-K37 PolarHBondContact O-N 3.43Å; E33-V141 HydrophobicContact CG-CG1 4.37Å; E33-R145 IonicContact OE1-CZ 2.74Å; E33-R145 IonicContact OE1-NE 2.88Å; E33-R145 PolarHBondContact OE1-NE 2.95Å; E33-R145 IonicContact OE1-NH2 2.95Å; E33-R145 PolarHBondContact OE1-NH2 2.79Å
34K90.5Very high84.4Confident132 Ų13273.4 Ų73.457%0.57436%0.362SS*.Hα-helixtrans-63.5-46.3178.9-168.9-175-177.8-156.90111N30 Q31 L36 K37 E38N30-K34 WeakPolarHBondContact O-CB 3.36Å; N30-K34 PolarHBondContact O-N 3.38Å; Q31-K34 PolarHBondContact O-N 2.95Å; K34-L36 VanDerWaalsContact C-N 3.34Å; K34-L36 PolarHBondContact O-N 2.88Å; K34-K37 PolarHBondContact O-N 3.43Å; K34-E38 WeakPolarHBondContact CE-OE1 3.42Å; K34-E38 IonicContact NZ-OE1 3.61Å; K34-E38 WeakPolarHBondContact O-CG 3.38Å; K34-E38 PolarHBondContact O-N 2.76Å
35L88.6Confident85.7Confident33 Ų3375.3 Ų75.317%0.17337%0.369CS..Hα-helixtrans-61-42.5175.8-74.5-175.8000112.2L27 Q31 K37 E38 M39 I137L27-L35 HydrophobicContact CD1-CD1 3.16Å; L27-L35 HydrophobicContact CD1-CG 4.36Å; Q31-L35 WeakPolarHBondContact O-CG 3.48Å; Q31-L35 PolarHBondContact O-N 2.83Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.74Å; L35-E38 PolarHBondContact O-N 3.26Å; L35-M39 VanDerWaalsContact O-CB 3.27Å; L35-M39 WeakPolarHBondContact O-CB 3.27Å; L35-M39 PolarHBondContact O-N 3.18Å; L35-I137 HydrophobicContact CD1-CD1 4.4Å
36L90.5Very high87Confident6 Ų670.9 Ų70.93%0.03135%0.35CS..Hα-helixtrans-59.2-45.3175.618067.7000111.1R32 E33 K34 M39 L40 I137 F138 V141R32-L36 WeakPolarHBondContact O-CB 3.1Å; R32-L36 PolarHBondContact O-N 3.47Å; E33-L36 PolarHBondContact O-N 3.12Å; K34-L36 VanDerWaalsContact C-N 3.34Å; K34-L36 PolarHBondContact O-N 2.88Å; L36-M39 HydrophobicContact CD1-CE 3.79Å; L36-M39 PolarHBondContact O-N 3.25Å; L36-L40 HydrophobicContact CD1-CD1 4.18Å; L36-L40 HydrophobicContact CD1-CG 4.36Å; L36-L40 HydrophobicContact CG-CD1 4.09Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.03Å; L36-I137 HydrophobicContact CB-CG2 4.06Å; L36-I137 HydrophobicContact CD1-CG2 4.37Å; L36-F138 HydrophobicContact CD1-CD1 3.58Å; L36-F138 HydrophobicContact CD1-CE1 3.41Å; L36-F138 VanDerWaalsContact CD1-CE1 3.41Å; L36-F138 HydrophobicContact CD1-CE2 4.4Å; L36-F138 HydrophobicContact CD1-CG 4.17Å; L36-F138 HydrophobicContact CD1-CZ 3.84Å; L36-V141 HydrophobicContact CB-CG2 4.42Å; L36-V141 HydrophobicContact CD2-CB 3.99Å; L36-V141 HydrophobicContact CD2-CG1 3.6Å; L36-V141 HydrophobicContact CD2-CG2 4.22Å
37K91.2Very high88Confident115 Ų11569.1 Ų69.150%0.534%0.342SS..Hα-helixtrans-63.3-44.4176.8-71.8173.5-175.1171.80111.8E33 K34 L35 L40 N41E33-K37 WeakPolarHBondContact O-CG 3.44Å; E33-K37 PolarHBondContact O-N 3.43Å; K34-K37 PolarHBondContact O-N 3.43Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.74Å; K37-L40 PolarHBondContact O-N 3.3Å; K37-N41 VanDerWaalsContact O-CB 3.31Å; K37-N41 WeakPolarHBondContact O-CB 3.37Å; K37-N41 PolarHBondContact O-N 3.21Å; K37-N41 PolarHBondContact O-ND2 3.2Å
38E87.8Confident88.7Confident62 Ų6269.5 Ų69.529%0.2935%0.35SS..Hα-helixtrans-63.3-42.3177.9-74180-163.800112K34 L35 N41 K42K34-E38 WeakPolarHBondContact CE-OE1 3.42Å; K34-E38 IonicContact NZ-OE1 3.61Å; K34-E38 WeakPolarHBondContact O-CG 3.38Å; K34-E38 PolarHBondContact O-N 2.76Å; L35-E38 PolarHBondContact O-N 3.26Å; E38-N41 PolarHBondContact O-N 2.77Å; E38-K42 WeakPolarHBondContact O-CB 3.49Å; E38-K42 WeakPolarHBondContact O-CG 3.16Å; E38-K42 PolarHBondContact O-N 3.4Å
39M87.9Confident89.3Confident0 Ų067.6 Ų67.60%034%0.341CS..Hα-helixtrans-63.7-47.1177.3-176.1-179.97100111.4I19 L21 L35 L36 N41 K42 C43 I46 A134 F138I19-M39 HydrophobicContact CD1-CG 4.49Å; L21-M39 HydrophobicContact CD1-SD 4.16Å; L21-M39 HydrophobicContact CD2-SD 4.15Å; L35-M39 VanDerWaalsContact O-CB 3.27Å; L35-M39 WeakPolarHBondContact O-CB 3.27Å; L35-M39 PolarHBondContact O-N 3.18Å; L36-M39 HydrophobicContact CD1-CE 3.79Å; L36-M39 PolarHBondContact O-N 3.25Å; M39-N41 VanDerWaalsContact C-N 3.29Å; M39-N41 PolarHBondContact O-N 3.33Å; M39-K42 PolarHBondContact O-N 3.48Å; M39-C43 VanDerWaalsContact O-CB 3.29Å; M39-C43 WeakPolarHBondContact O-CB 3.46Å; M39-C43 PolarHBondContact O-N 3.33Å; M39-I46 HydrophobicContact CE-CD1 4.04Å; M39-I46 HydrophobicContact CG-CD1 3.99Å; M39-I46 HydrophobicContact CG-CG2 4.29Å; M39-I46 HydrophobicContact SD-CD1 3.56Å; M39-I46 VanDerWaalsContact SD-CD1 3.56Å; M39-A134 HydrophobicContact CE-CB 4.47Å; M39-A134 HydrophobicContact SD-CB 3.82Å; M39-F138 HydrophobicContact CE-CD2 3.96Å; M39-F138 HydrophobicContact CE-CE1 4.36Å; M39-F138 HydrophobicContact CE-CE2 3.17Å; M39-F138 HydrophobicContact CE-CZ 3.42Å; M39-F138 VanDerWaalsContact CE-CZ 3.42Å
40L89.4Confident89.9Confident84 Ų8466.7 Ų66.744%0.4434%0.34SS..Hα-helixtrans-66.3-30.1177.3-69.2174.4000113.1L36 K37 I46 F138L36-L40 HydrophobicContact CD1-CD1 4.18Å; L36-L40 HydrophobicContact CD1-CG 4.36Å; L36-L40 HydrophobicContact CG-CD1 4.09Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.03Å; K37-L40 PolarHBondContact O-N 3.3Å; L40-I46 HydrophobicContact CD2-CG2 4.35Å; L40-F138 HydrophobicContact CD2-CE1 4.27Å; L40-F138 HydrophobicContact CD2-CZ 4Å
41N89.1Confident90.3Very high141 Ų14163.4 Ų63.475%0.75432%0.32SS*.Hα-helixtrans-78.5-32.5177.7-72.9-15.9000112.9K37 E38 M39K37-N41 VanDerWaalsContact O-CB 3.31Å; K37-N41 WeakPolarHBondContact O-CB 3.37Å; K37-N41 PolarHBondContact O-N 3.21Å; K37-N41 PolarHBondContact O-ND2 3.2Å; E38-N41 PolarHBondContact O-N 2.77Å; M39-N41 VanDerWaalsContact C-N 3.29Å; M39-N41 PolarHBondContact O-N 3.33Å
42K85.5Confident90.7Very high139 Ų13962.5 Ų62.560%0.60432%0.32SS*.Hα-helixtrans-87.2-30.9-178.9-72.7179.6179.7176.10112.9E38 M39E38-K42 WeakPolarHBondContact O-CB 3.49Å; E38-K42 WeakPolarHBondContact O-CG 3.16Å; E38-K42 PolarHBondContact O-N 3.4Å; M39-K42 PolarHBondContact O-N 3.48Å
43C84.9Confident91Very high5 Ų561.1 Ų61.13%0.03432%0.316CS..  trans-116.694.4-173.9-55.70000109.3I19 M39 W45 I46I19-C43 WeakPolarHBondContact CD1-SG 3.24Å; M39-C43 VanDerWaalsContact O-CB 3.29Å; M39-C43 WeakPolarHBondContact O-CB 3.46Å; M39-C43 PolarHBondContact O-N 3.33Å; C43-W45 HydrophobicContact CB-CD2 4.07Å; C43-W45 HydrophobicContact CB-CE3 4.33Å; C43-W45 HydrophobicContact CB-CH2 4.12Å; C43-W45 HydrophobicContact CB-CZ2 3.85Å; C43-W45 HydrophobicContact CB-CZ3 4.35Å; C43-W45 PolarHBondContact O-N 3.37Å; C43-W45 WeakPolarHBondContact SG-CZ2 3.36Å; C43-I46 HydrophobicContact CB-CB 3.89Å; C43-I46 HydrophobicContact CB-CG2 3.67Å; C43-I46 WeakPolarHBondContact O-CG2 3.49Å
44D87.3Confident91.3Very high151 Ų15161.5 Ų61.581%0.80732%0.323SS*.THydrogen-bonded Turntrans-69-19.517061.9-13.4000112.5
45W88.9Confident91.5Very high42 Ų4255.8 Ų55.816%0.15930%0.299CS..THydrogen-bonded Turntrans-89.9-9.6-179.649.2-102.2000114.7S8 P9 Q12 E15 L16 C43S8-W45 WeakPolarHBondContact OG-CZ3 3.36Å; P9-W45 HydrophobicContact CG-CB 4.18Å; Q12-W45 HydrophobicContact CB-CD2 3.93Å; Q12-W45 HydrophobicContact CB-CE3 4.01Å; Q12-W45 HydrophobicContact CB-CH2 3.75Å; Q12-W45 HydrophobicContact CB-CZ2 3.64Å; Q12-W45 HydrophobicContact CB-CZ3 3.93Å; Q12-W45 HydrophobicContact CG-CD2 3.9Å; Q12-W45 HydrophobicContact CG-CE3 4.4Å; Q12-W45 HydrophobicContact CG-CG 4.18Å; Q12-W45 HydrophobicContact CG-CZ2 4.18Å; E15-W45 HydrophobicContact CB-CH2 4.39Å; E15-W45 HydrophobicContact CB-CZ2 3.88Å; E15-W45 WeakPolarHBondContact OE2-CZ2 3.36Å; E15-W45 PolarHBondContact OE2-NE1 2.87Å; L16-W45 HydrophobicContact CD1-CZ3 4.36Å; L16-W45 HydrophobicContact CD2-CH2 3.47Å; L16-W45 VanDerWaalsContact CD2-CH2 3.47Å; L16-W45 HydrophobicContact CD2-CZ3 3.71Å; L16-W45 HydrophobicContact CG-CH2 3.61Å; L16-W45 HydrophobicContact CG-CZ3 3.91Å; C43-W45 HydrophobicContact CB-CD2 4.07Å; C43-W45 HydrophobicContact CB-CE3 4.33Å; C43-W45 HydrophobicContact CB-CH2 4.12Å; C43-W45 HydrophobicContact CB-CZ2 3.85Å; C43-W45 HydrophobicContact CB-CZ3 4.35Å; C43-W45 PolarHBondContact O-N 3.37Å; C43-W45 WeakPolarHBondContact SG-CZ2 3.36Å
46I90.9Very high91.9Very high9 Ų956.8 Ų56.85%0.04631%0.306CS..  trans-84.6133.3177.1-156179.9000109.8L7 L16 M39 L40 C43 A134 F138L7-I46 WeakPolarHBondContact O-CA 3.45Å; L7-I46 WeakPolarHBondContact O-CG1 3.38Å; L16-I46 HydrophobicContact CD2-CD1 3.93Å; M39-I46 HydrophobicContact CE-CD1 4.04Å; M39-I46 HydrophobicContact CG-CD1 3.99Å; M39-I46 HydrophobicContact CG-CG2 4.29Å; M39-I46 HydrophobicContact SD-CD1 3.56Å; M39-I46 VanDerWaalsContact SD-CD1 3.56Å; L40-I46 HydrophobicContact CD2-CG2 4.35Å; C43-I46 HydrophobicContact CB-CB 3.89Å; C43-I46 HydrophobicContact CB-CG2 3.67Å; C43-I46 WeakPolarHBondContact O-CG2 3.49Å; I46-A134 HydrophobicContact CD1-CB 4.07Å; I46-F138 HydrophobicContact CD1-CE2 4.45Å
47S92.2Very high92.2Very high68 Ų6861 Ų6148%0.47632%0.323SS..EExtended strand (participates in β ladder)trans-131.4157175.8-72.50000110.2A6 L7A6-S47 CarbonylContact C-O 3.52Å; A6-S47 WeakPolarHBondContact CA-O 3.31Å; L7-S47 PolarHBondContact N-O 2.99Å; L7-S47 PolarHBondContact O-N 3.21Å; L7-S47 VanDerWaalsContact O-N 3.13Å
48A93.7Very high92.5Very high38 Ų3855.6 Ų55.631%0.31430%0.299SS..EExtended strand (participates in β ladder)trans-141.1144.9176.100000112.3C5 F138C5-A48 CarbonylContact O-C 3.55Å; C5-A48 WeakPolarHBondContact O-CA 3.35Å; C5-A48 WeakPolarHBondContact O-CB 3.45Å; A48-F138 HydrophobicContact CB-CB 4.4Å; A48-F138 HydrophobicContact CB-CD1 3.67Å; A48-F138 HydrophobicContact CB-CD2 3.53Å; A48-F138 HydrophobicContact CB-CE1 3.65Å; A48-F138 HydrophobicContact CB-CE2 3.52Å; A48-F138 HydrophobicContact CB-CG 3.62Å; A48-F138 HydrophobicContact CB-CZ 3.59Å
49V95.3Very high92.9Very high41 Ų4153.6 Ų53.625%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-113.5130.2170.5-172.30000107.4A4 C5 L81 V85A4-V49 CarbonylContact C-O 3.57Å; A4-V49 VanDerWaalsContact CA-O 3.31Å; A4-V49 WeakPolarHBondContact CA-O 3.49Å; C5-V49 PolarHBondContact N-O 2.66Å; C5-V49 PolarHBondContact O-N 2.61Å; V49-L81 HydrophobicContact CB-CD2 3.96Å; V49-L81 HydrophobicContact CG1-CD2 3.56Å; V49-V85 HydrophobicContact CG2-CG2 4.07Å
50V96.3Very high93.2Very high51 Ų5159.2 Ų59.231%0.30932%0.318SS..EExtended strand (participates in β ladder)trans-121.8134.6-177.4-175.20000109.5V2 Y3 A4 V52 F138 T142V2-V50 HydrophobicContact CG1-CG1 3.31Å; Y3-V50 CarbonylContact O-C 3.37Å; Y3-V50 WeakPolarHBondContact O-CA 3.2Å; Y3-V50 WeakPolarHBondContact O-CG1 3.47Å; A4-V50 HydrophobicContact CB-CG2 4.01Å; V50-V52 HydrophobicContact CG1-CG2 4.18Å; V50-F138 HydrophobicContact CG2-CB 4.47Å; V50-T142 HydrophobicContact CG1-CG2 3.89Å
51H97Very high93.6Very high54 Ų5458.6 Ų58.625%0.2531%0.311CS..EExtended strand (participates in β ladder)trans-115.7109.9174.8-173.7-175.5000109.4V2 Y3 L81V2-H51 WeakPolarHBondContact CA-O 3.3Å; Y3-H51 PolarHBondContact N-O 3.31Å; Y3-H51 PolarHBondContact O-N 2.9Å; H51-L81 HydrophobicContact CB-CD1 4.37Å; H51-L81 HydrophobicContact CB-CD2 3.93Å; H51-L81 HydrophobicContact CB-CG 4.15Å
52V96.8Very high93.9Very high66 Ų6654.1 Ų54.140%0.429%0.287SS..EExtended strand (participates in β ladder)trans-95.2117.2178.3-177.60000109.6V2 V50 T142 V146V2-V52 HydrophobicContact CG1-CG2 4.35Å; V2-V52 HydrophobicContact CG2-CG1 4.31Å; V2-V52 HydrophobicContact CG2-CG2 4.21Å; V50-V52 HydrophobicContact CG1-CG2 4.18Å; V52-T142 HydrophobicContact CG2-CG2 3.96Å; V52-V146 HydrophobicContact CG1-CG1 4.43Å; V52-V146 HydrophobicContact CG1-CG2 4.44Å; V52-V146 HydrophobicContact CG2-CG2 4.5Å
53I96.8Very high94.2Very high6 Ų652 Ų523%0.03128%0.281CS..  trans-104.1119.6-179.6-49.3162.9000108.4M1 Y3 Y57 I58 I73 S77M1-I53 HydrophobicContact CB-CB 4.32Å; M1-I53 HydrophobicContact CB-CD1 4.4Å; M1-I53 HydrophobicContact CE-CD1 3.5Å; M1-I53 VanDerWaalsContact CE-CD1 3.5Å; M1-I53 HydrophobicContact CG-CD1 4.44Å; M1-I53 PolarHBondContact N-O 3.14Å; M1-I53 PolarHBondContact O-N 3.38Å; Y3-I53 HydrophobicContact CD2-CD1 4.06Å; I53-Y57 HydrophobicContact CG2-CD1 3.42Å; I53-Y57 VanDerWaalsContact CG2-CD1 3.42Å; I53-Y57 HydrophobicContact CG2-CE1 4.1Å; I53-Y57 HydrophobicContact CG2-CG 4.19Å; I53-I58 HydrophobicContact CG2-CD1 4.15Å; I53-I58 HydrophobicContact CG2-CG1 3.69Å; I53-I73 HydrophobicContact CD1-CG2 4.23Å; I53-I73 HydrophobicContact CG2-CG2 4.47Å; I53-S77 WeakPolarHBondContact CD1-OG 3.48Å
54S96.1Very high94.6Very high49 Ų4955.2 Ų55.234%0.34330%0.298SS..  trans-67.1151.9-177.272.20000112.2V56 Y57 I58S54-V56 PolarHBondContact O-N 3.42Å; S54-Y57 PolarHBondContact O-N 2.95Å; S54-Y57 VanDerWaalsContact OG-CB 3.3Å; S54-Y57 WeakPolarHBondContact OG-CB 3.46Å; S54-Y57 PolarHBondContact OG-N 2.99Å; S54-I58 WeakPolarHBondContact O-CG1 3.41Å; S54-I58 PolarHBondContact O-N 3.38Å
55P96.1Very high94.7Very high12 Ų1254.8 Ų54.88%0.07829%0.289CS..Hα-helixtrans-60.8-34.2173.8-18.130.6000112.5I58 T59 W150 S190 L191 R193P55-I58 PolarHBondContact O-N 3.41Å; P55-T59 WeakPolarHBondContact O-CB 3.48Å; P55-T59 PolarHBondContact O-N 2.87Å; P55-T59 PolarHBondContact O-OG1 3.44Å; P55-W150 HydrophobicContact CG-CH2 4.17Å; P55-S190 WeakPolarHBondContact CB-O 3.22Å; P55-L191 WeakPolarHBondContact CB-O 3.49Å; P55-L191 WeakPolarHBondContact CG-O 3.34Å; P55-R193 HydrophobicContact CB-CG 3.75Å
56V96Very high94.8Very high53 Ų5357.1 Ų57.132%0.32131%0.312SS..Hα-helixtrans-60.7-52.9174.8178.60000110.8S54 I58 T59 E60 S190S54-V56 PolarHBondContact O-N 3.42Å; V56-I58 VanDerWaalsContact C-N 3.27Å; V56-I58 PolarHBondContact O-N 3.14Å; V56-T59 WeakPolarHBondContact O-CA 3.42Å; V56-T59 WeakPolarHBondContact O-CB 3.35Å; V56-T59 PolarHBondContact O-N 3.23Å; V56-E60 HydrophobicContact CG1-CG 4.18Å; V56-E60 WeakPolarHBondContact CG1-OE1 3.32Å; V56-E60 WeakPolarHBondContact O-CG 3.47Å; V56-E60 PolarHBondContact O-N 3.12Å; V56-S190 WeakPolarHBondContact CG2-O 3.34Å
57Y96.9Very high94.8Very high96 Ų9663.3 Ų63.338%0.37634%0.338SS..Hα-helixtrans-56.3-42.8179178.1-89.4000112I53 S54 T59 K61 I73I53-Y57 HydrophobicContact CG2-CD1 3.42Å; I53-Y57 VanDerWaalsContact CG2-CD1 3.42Å; I53-Y57 HydrophobicContact CG2-CE1 4.1Å; I53-Y57 HydrophobicContact CG2-CG 4.19Å; S54-Y57 PolarHBondContact O-N 2.95Å; S54-Y57 VanDerWaalsContact OG-CB 3.3Å; S54-Y57 WeakPolarHBondContact OG-CB 3.46Å; S54-Y57 PolarHBondContact OG-N 2.99Å; Y57-T59 VanDerWaalsContact C-N 3.34Å; Y57-K61 HydrophobicContact CD1-CG 4.19Å; Y57-K61 HydrophobicContact CD2-CG 4.43Å; Y57-K61 HydrophobicContact CE1-CG 3.79Å; Y57-K61 HydrophobicContact CE2-CG 4.04Å; Y57-K61 WeakPolarHBondContact O-CB 3.4Å; Y57-K61 WeakPolarHBondContact O-CG 3.22Å; Y57-K61 PolarHBondContact O-N 3.46Å; Y57-I73 HydrophobicContact CE1-CG2 4.12Å
58I97.2Very high94.8Very high0 Ų061.9 Ų61.90%033%0.327CS..Hα-helixtrans-63.5-42.9177.3-64.1168.9000110.7M1 I53 S54 P55 V56 M62 L70 W196M1-I58 HydrophobicContact CB-CD1 3.68Å; M1-I58 HydrophobicContact CE-CD1 4.45Å; I53-I58 HydrophobicContact CG2-CD1 4.15Å; I53-I58 HydrophobicContact CG2-CG1 3.69Å; S54-I58 WeakPolarHBondContact O-CG1 3.41Å; S54-I58 PolarHBondContact O-N 3.38Å; P55-I58 PolarHBondContact O-N 3.41Å; V56-I58 VanDerWaalsContact C-N 3.27Å; V56-I58 PolarHBondContact O-N 3.14Å; I58-M62 HydrophobicContact CG2-CG 4.43Å; I58-M62 HydrophobicContact CG2-SD 3.72Å; I58-M62 VanDerWaalsContact O-CB 3.28Å; I58-M62 WeakPolarHBondContact O-CB 3.49Å; I58-M62 VanDerWaalsContact O-CG 3.22Å; I58-M62 WeakPolarHBondContact O-CG 3.25Å; I58-M62 PolarHBondContact O-N 3.12Å; I58-M62 VanDerWaalsContact O-N 3.08Å; I58-L70 HydrophobicContact CG2-CD1 4.1Å; I58-W196 HydrophobicContact CG2-CH2 3.53Å; I58-W196 HydrophobicContact CG2-CZ3 3.35Å
59T96.3Very high94.8Very high21 Ų2162.9 Ų62.913%0.12933%0.332CS..Hα-helixtrans-64.1-50.6179.8-60.70000110.8P55 V56 Y57 K61 M62 L63 R193 S194P55-T59 WeakPolarHBondContact O-CB 3.48Å; P55-T59 PolarHBondContact O-N 2.87Å; P55-T59 PolarHBondContact O-OG1 3.44Å; V56-T59 WeakPolarHBondContact O-CA 3.42Å; V56-T59 WeakPolarHBondContact O-CB 3.35Å; V56-T59 PolarHBondContact O-N 3.23Å; Y57-T59 VanDerWaalsContact C-N 3.34Å; T59-K61 PolarHBondContact O-N 2.96Å; T59-M62 PolarHBondContact O-N 3.42Å; T59-L63 HydrophobicContact CG2-CD1 3.76Å; T59-L63 WeakPolarHBondContact O-CB 3.47Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.46Å; T59-R193 WeakPolarHBondContact OG1-CA 3.43Å; T59-S194 PolarHBondContact OG1-N 3.16Å
60E95.4Very high94.8Very high118 Ų11863.2 Ų63.255%0.55133%0.332SS*.Hα-helixtrans-56.7-52.7177.9-71.2175.316900110.9V56 M62 L63 D64V56-E60 HydrophobicContact CG1-CG 4.18Å; V56-E60 WeakPolarHBondContact CG1-OE1 3.32Å; V56-E60 WeakPolarHBondContact O-CG 3.47Å; V56-E60 PolarHBondContact O-N 3.12Å; E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 2.96Å; E60-L63 PolarHBondContact O-N 3.25Å; E60-D64 WeakPolarHBondContact O-CB 3.42Å; E60-D64 PolarHBondContact O-N 3.14Å
61K96.1Very high94.6Very high71 Ų7165.6 Ų65.631%0.30934%0.343SS..Hα-helixtrans-64.4-33.6-178-71.1-62.5179.4-169.30113.9Y57 T59 T68 I73Y57-K61 HydrophobicContact CD1-CG 4.19Å; Y57-K61 HydrophobicContact CD2-CG 4.43Å; Y57-K61 HydrophobicContact CE1-CG 3.79Å; Y57-K61 HydrophobicContact CE2-CG 4.04Å; Y57-K61 WeakPolarHBondContact O-CB 3.4Å; Y57-K61 WeakPolarHBondContact O-CG 3.22Å; Y57-K61 PolarHBondContact O-N 3.46Å; T59-K61 PolarHBondContact O-N 2.96Å; K61-T68 WeakPolarHBondContact O-CB 3.31Å; K61-T68 PolarHBondContact O-N 3.45Å; K61-I73 HydrophobicContact CB-CD1 3.73Å; K61-I73 HydrophobicContact CB-CG1 4.43Å
62M95.8Very high94.4Very high47 Ų4765.7 Ų65.723%0.23235%0.347CS..Hα-helixtrans-81.1-25.5-180-71.1-176.764.800113.3I58 T59 E60 T68 L70 I73 W196I58-M62 HydrophobicContact CG2-CG 4.43Å; I58-M62 HydrophobicContact CG2-SD 3.72Å; I58-M62 VanDerWaalsContact O-CB 3.28Å; I58-M62 WeakPolarHBondContact O-CB 3.49Å; I58-M62 VanDerWaalsContact O-CG 3.22Å; I58-M62 WeakPolarHBondContact O-CG 3.25Å; I58-M62 PolarHBondContact O-N 3.12Å; I58-M62 VanDerWaalsContact O-N 3.08Å; T59-M62 PolarHBondContact O-N 3.42Å; E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 2.96Å; M62-T68 WeakPolarHBondContact CG-O 3.37Å; M62-L70 HydrophobicContact CE-CB 4.38Å; M62-L70 HydrophobicContact SD-CB 4.09Å; M62-L70 HydrophobicContact SD-CD1 4.26Å; M62-I73 HydrophobicContact CG-CD1 4.16Å; M62-W196 HydrophobicContact CE-CZ3 4.23Å; M62-W196 HydrophobicContact SD-CE3 4.48Å; M62-W196 HydrophobicContact SD-CH2 3.99Å; M62-W196 HydrophobicContact SD-CZ3 3.53Å; M62-W196 VanDerWaalsContact SD-CZ3 3.53Å
63L93.3Very high94.4Very high93 Ų9362.8 Ų62.849%0.48733%0.329SS..Hα-helixtrans-106.72.5-179.5-60178.1000113.7T59 E60T59-L63 HydrophobicContact CG2-CD1 3.76Å; T59-L63 WeakPolarHBondContact O-CB 3.47Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.46Å; E60-L63 PolarHBondContact O-N 3.25Å
64D91.7Very high94.2Very high74 Ų7463.1 Ų63.140%0.39633%0.332SS..SBendtrans-58.9158.2174.5-159.6-9.4000111.5E60 S66 K67E60-D64 WeakPolarHBondContact O-CB 3.42Å; E60-D64 PolarHBondContact O-N 3.14Å; D64-S66 PolarHBondContact O-N 3.38Å; D64-S66 VanDerWaalsContact O-N 3.16Å; D64-K67 WeakPolarHBondContact O-CG 3.41Å; D64-K67 PolarHBondContact O-N 2.9Å
65K90.2Very high94.1Very high142 Ų14262.9 Ų62.962%0.61733%0.325SS*.SBendtrans-53.5-36.6172.2-69.3-173.1173.8-169.80110.8E213K65-E213 IonicContact NZ-OE2 2.83Å; K65-E213 PolarHBondContact NZ-OE2 3.25Å
66S90.9Very high94Very high91 Ų9165.3 Ų65.364%0.63634%0.337SS*.SBendtrans-103.282.9170-169.50000110.7D64 T68D64-S66 PolarHBondContact O-N 3.38Å; D64-S66 VanDerWaalsContact O-N 3.16Å; S66-T68 PolarHBondContact O-N 3.42Å
67K90.3Very high94Very high139 Ų13963 Ų6360%0.60432%0.323SS*.PPolyproline II helixtrans-58122.1-172.6-61.8177.8-177.11720112D64D64-K67 WeakPolarHBondContact O-CG 3.41Å; D64-K67 PolarHBondContact O-N 2.9Å
68T93.5Very high93.9Very high38 Ų3858.9 Ų58.923%0.23331%0.309CS..PPolyproline II helixtrans-101.4121.2174.2-57.30000109.9K61 M62 S66 V72 I73K61-T68 WeakPolarHBondContact O-CB 3.31Å; K61-T68 PolarHBondContact O-N 3.45Å; M62-T68 WeakPolarHBondContact CG-O 3.37Å; S66-T68 PolarHBondContact O-N 3.42Å; T68-V72 HydrophobicContact CG2-CB 3.83Å; T68-V72 HydrophobicContact CG2-CG1 3.7Å; T68-I73 HydrophobicContact CG2-CG1 3.87Å
69S93.8Very high93.9Very high59 Ų5960.2 Ų60.241%0.41332%0.317SS..PPolyproline II helixtrans-67.5152.7178.775.20000112.4N71 V72 I73S69-N71 PolarHBondContact O-N 2.91Å; S69-V72 WeakPolarHBondContact O-CB 3.48Å; S69-V72 PolarHBondContact O-N 3.29Å; S69-V72 WeakPolarHBondContact OG-CG2 3.5Å; S69-V72 PolarHBondContact OG-N 3.01Å; S69-I73 PolarHBondContact O-N 2.83Å
70L93.7Very high93.8Very high48 Ų4864.2 Ų64.225%0.25133%0.334SS..Hα-helixtrans-58-33.3176.7-171.762.2000112.7M1 I58 M62 V72 I73 S74 W196M1-L70 HydrophobicContact CE-CD1 3.83Å; M1-L70 HydrophobicContact SD-CD1 4.07Å; I58-L70 HydrophobicContact CG2-CD1 4.1Å; M62-L70 HydrophobicContact CE-CB 4.38Å; M62-L70 HydrophobicContact SD-CB 4.09Å; M62-L70 HydrophobicContact SD-CD1 4.26Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 2.95Å; L70-I73 PolarHBondContact O-N 2.71Å; L70-S74 WeakPolarHBondContact O-CB 3.01Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.24Å; L70-W196 HydrophobicContact CD1-CH2 3.94Å; L70-W196 HydrophobicContact CD2-CH2 3.8Å; L70-W196 HydrophobicContact CD2-CZ2 3.88Å; L70-W196 HydrophobicContact CG-CH2 4.46Å
71N92.8Very high93.9Very high101 Ų10159 Ų5954%0.5431%0.309SS..Hα-helixtrans-63.9-37.9176.6-69-12.6000111.8S69 S74 H75S69-N71 PolarHBondContact O-N 2.91Å; N71-S74 WeakPolarHBondContact O-CB 3.28Å; N71-S74 PolarHBondContact O-N 2.87Å; N71-H75 WeakPolarHBondContact O-CB 3.48Å; N71-H75 PolarHBondContact O-CD2 2.95Å; N71-H75 PolarHBondContact O-N 3.47Å; N71-H75 PolarHBondContact O-ND1 2.86Å
72V93.4Very high93.8Very high56 Ų5656 Ų5634%0.33930%0.297SS..Hα-helixtrans-66.7-50.1176.11730000109.9T68 S69 L70 S74 H75 D76T68-V72 HydrophobicContact CG2-CB 3.83Å; T68-V72 HydrophobicContact CG2-CG1 3.7Å; S69-V72 WeakPolarHBondContact O-CB 3.48Å; S69-V72 PolarHBondContact O-N 3.29Å; S69-V72 WeakPolarHBondContact OG-CG2 3.5Å; S69-V72 PolarHBondContact OG-N 3.01Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 2.95Å; V72-S74 PolarHBondContact O-N 3.47Å; V72-H75 PolarHBondContact O-N 2.62Å; V72-D76 VanDerWaalsContact CG1-OD2 3.3Å; V72-D76 WeakPolarHBondContact CG1-OD2 3.21Å; V72-D76 WeakPolarHBondContact O-CB 3.35Å; V72-D76 PolarHBondContact O-N 2.77Å
73I95.2Very high93.8Very high5 Ų557.6 Ų57.63%0.02630%0.304CS..Hα-helixtrans-53.9-43.6176-61.1172.1000110.9M1 I53 Y57 K61 M62 T68 S69 L70 S77M1-I73 HydrophobicContact CE-CG2 3.97Å; I53-I73 HydrophobicContact CD1-CG2 4.23Å; I53-I73 HydrophobicContact CG2-CG2 4.47Å; Y57-I73 HydrophobicContact CE1-CG2 4.12Å; K61-I73 HydrophobicContact CB-CD1 3.73Å; K61-I73 HydrophobicContact CB-CG1 4.43Å; M62-I73 HydrophobicContact CG-CD1 4.16Å; T68-I73 HydrophobicContact CG2-CG1 3.87Å; S69-I73 PolarHBondContact O-N 2.83Å; L70-I73 PolarHBondContact O-N 2.71Å; I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.11Å; I73-S77 PolarHBondContact O-OG 2.72Å
74S93.9Very high93.9Very high12 Ų1255.5 Ų55.58%0.08430%0.297CS..Hα-helixtrans-63-52178.7-65.10000112.2Y3 L70 N71 V72 D76 S77 A78Y3-S74 WeakPolarHBondContact OH-CB 3.34Å; Y3-S74 PolarHBondContact OH-OG 3.27Å; L70-S74 WeakPolarHBondContact O-CB 3.01Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.24Å; N71-S74 WeakPolarHBondContact O-CB 3.28Å; N71-S74 PolarHBondContact O-N 2.87Å; V72-S74 PolarHBondContact O-N 3.47Å; S74-D76 PolarHBondContact O-N 3.13Å; S74-S77 PolarHBondContact O-N 3.31Å; S74-A78 PolarHBondContact O-N 3.12Å; S74-A78 VanDerWaalsContact O-N 3.1Å
75H93.4Very high94.1Very high45 Ų4552 Ų5221%0.20828%0.278CS..Hα-helixtrans-62.3-43.6178.7-65.2162.9000111.7N71 V72 S77 A78 I79 Y106N71-H75 WeakPolarHBondContact O-CB 3.48Å; N71-H75 PolarHBondContact O-CD2 2.95Å; N71-H75 PolarHBondContact O-N 3.47Å; N71-H75 PolarHBondContact O-ND1 2.86Å; V72-H75 PolarHBondContact O-N 2.62Å; H75-S77 VanDerWaalsContact C-N 3.28Å; H75-S77 PolarHBondContact O-N 2.78Å; H75-A78 PolarHBondContact O-N 2.98Å; H75-I79 WeakPolarHBondContact O-CB 3.2Å; H75-I79 WeakPolarHBondContact O-CD1 3.46Å; H75-I79 WeakPolarHBondContact O-CG1 3.45Å; H75-I79 PolarHBondContact O-N 3.01Å; H75-Y106 HydrophobicContact CB-CE2 3.9Å; H75-Y106 AromaticContact CD2-CD2 3.6Å; H75-Y106 AromaticContact CD2-CE1 3.81Å; H75-Y106 AromaticContact CD2-CE2 3.28Å; H75-Y106 WeakPolarHBondContact CD2-CE2 3.47Å; H75-Y106 AromaticContact CD2-CZ 3.4Å; H75-Y106 AromaticContact CG-CD2 3.9Å; H75-Y106 AromaticContact CG-CE2 3.56Å; H75-Y106 AromaticContact NE2-CD1 3.98Å; H75-Y106 AromaticContact NE2-CD2 3.71Å; H75-Y106 AromaticContact NE2-CE2 3.91Å; H75-Y106 AromaticContact NE2-CG 3.77Å
76D94.9Very high94.3Very high62 Ų6248 Ų4833%0.33226%0.263SS..Hα-helixtrans-66.8-32.8-179-64.1-10.2000111.3V72 S74 Q80 K109V72-D76 VanDerWaalsContact CG1-OD2 3.3Å; V72-D76 WeakPolarHBondContact CG1-OD2 3.21Å; V72-D76 WeakPolarHBondContact O-CB 3.35Å; V72-D76 PolarHBondContact O-N 2.77Å; S74-D76 PolarHBondContact O-N 3.13Å; D76-Q80 WeakPolarHBondContact O-CB 3.3Å; D76-Q80 VanDerWaalsContact O-CG 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.49Å; D76-Q80 PolarHBondContact O-N 3.26Å; D76-Q80 PolarHBondContact O-NE2 2.86Å; D76-K109 IonicContact OD1-NZ 3.32Å
77S95.9Very high94.5Very high4 Ų449.3 Ų49.33%0.02826%0.263CS..Hα-helixtrans-68.5-41.3174.6-59.10000112I53 I73 S74 H75 Q80 L81I53-S77 WeakPolarHBondContact CD1-OG 3.48Å; I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.11Å; I73-S77 PolarHBondContact O-OG 2.72Å; S74-S77 PolarHBondContact O-N 3.31Å; H75-S77 VanDerWaalsContact C-N 3.28Å; H75-S77 PolarHBondContact O-N 2.78Å; S77-Q80 PolarHBondContact O-N 3.08Å; S77-L81 WeakPolarHBondContact O-CG 3.45Å; S77-L81 PolarHBondContact O-N 3.15Å; S77-L81 VanDerWaalsContact O-N 3.08Å
78A95Very high94.7Very high10 Ų1046.8 Ų46.88%0.08326%0.263CS..Hα-helixtrans-66.9-41.1174.700000112.2Y3 S74 H75 Q80 L81 I82 Y106Y3-A78 HydrophobicContact CD1-CB 4.36Å; Y3-A78 HydrophobicContact CE1-CB 4.42Å; S74-A78 PolarHBondContact O-N 3.12Å; S74-A78 VanDerWaalsContact O-N 3.1Å; H75-A78 PolarHBondContact O-N 2.98Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 3.42Å; A78-L81 PolarHBondContact O-N 2.73Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 2.93Å; A78-Y106 WeakPolarHBondContact CB-OH 3.4Å
79I95.5Very high94.6Very high29 Ų2948.2 Ų48.215%0.14929%0.285CS..Hα-helixtrans-60.2-45.8174.7-70.1160.1000110.4H75 L81 I82 Q83 L110 L113 F114H75-I79 WeakPolarHBondContact O-CB 3.2Å; H75-I79 WeakPolarHBondContact O-CD1 3.46Å; H75-I79 WeakPolarHBondContact O-CG1 3.45Å; H75-I79 PolarHBondContact O-N 3.01Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 3.13Å; I79-I82 PolarHBondContact O-N 3.21Å; I79-Q83 WeakPolarHBondContact O-CB 3.3Å; I79-Q83 PolarHBondContact O-N 2.97Å; I79-L110 HydrophobicContact CD1-CD2 4.37Å; I79-L110 HydrophobicContact CG1-CD2 3.59Å; I79-L113 HydrophobicContact CD1-CD1 3.48Å; I79-L113 VanDerWaalsContact CD1-CD1 3.48Å; I79-L113 HydrophobicContact CG1-CD1 3.9Å; I79-L113 HydrophobicContact CG2-CD1 4.25Å; I79-F114 HydrophobicContact CG2-CE2 4.18Å; I79-F114 HydrophobicContact CG2-CZ 4.05Å
80Q95.8Very high94.6Very high104 Ų10448.4 Ų48.449%0.48628%0.284SS..Hα-helixtrans-60.6-38.9176.7-79.6171.281.900112.6D76 S77 A78 Q83 S84D76-Q80 WeakPolarHBondContact O-CB 3.3Å; D76-Q80 VanDerWaalsContact O-CG 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.49Å; D76-Q80 PolarHBondContact O-N 3.26Å; D76-Q80 PolarHBondContact O-NE2 2.86Å; S77-Q80 PolarHBondContact O-N 3.08Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 3.42Å; Q80-Q83 PolarHBondContact O-N 3.44Å; Q80-S84 VanDerWaalsContact O-CB 3.28Å; Q80-S84 WeakPolarHBondContact O-CB 3.5Å; Q80-S84 PolarHBondContact O-N 2.95Å
81L96.1Very high94.6Very high9 Ų953.2 Ų53.25%0.04731%0.31CS..Hα-helixtrans-63.4-47.1175.4-75.7172.9000111.7C5 V49 H51 S77 A78 I79 Q83 S84 V85C5-L81 HydrophobicContact CB-CB 4.15Å; C5-L81 HydrophobicContact CB-CD1 4.32Å; V49-L81 HydrophobicContact CB-CD2 3.96Å; V49-L81 HydrophobicContact CG1-CD2 3.56Å; H51-L81 HydrophobicContact CB-CD1 4.37Å; H51-L81 HydrophobicContact CB-CD2 3.93Å; H51-L81 HydrophobicContact CB-CG 4.15Å; S77-L81 WeakPolarHBondContact O-CG 3.45Å; S77-L81 PolarHBondContact O-N 3.15Å; S77-L81 VanDerWaalsContact O-N 3.08Å; A78-L81 PolarHBondContact O-N 2.73Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 3.13Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.35Å; L81-S84 PolarHBondContact O-N 3.05Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.48Å; L81-V85 VanDerWaalsContact O-N 3.13Å
82I95.4Very high94.7Very high9 Ų949.8 Ų49.85%0.04629%0.291CS..Hα-helixtrans-60.4-46.3177.5-64.1164.7000110.3A78 I79 S84 V85 L86 L92 V95 L110 F114 L117A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 2.93Å; I79-I82 PolarHBondContact O-N 3.21Å; I82-S84 PolarHBondContact O-N 3.48Å; I82-V85 PolarHBondContact O-N 3.42Å; I82-L86 HydrophobicContact CG2-CD1 4.29Å; I82-L86 WeakPolarHBondContact O-CG 3.3Å; I82-L86 PolarHBondContact O-N 3.34Å; I82-L86 VanDerWaalsContact O-N 3.12Å; I82-L92 HydrophobicContact CG2-CD2 4.13Å; I82-V95 HydrophobicContact CD1-CG1 3.94Å; I82-V95 HydrophobicContact CG1-CG1 4.21Å; I82-L110 HydrophobicContact CD1-CD2 4.22Å; I82-F114 HydrophobicContact CB-CE2 4.05Å; I82-F114 HydrophobicContact CB-CZ 4.01Å; I82-F114 HydrophobicContact CD1-CE2 4.21Å; I82-F114 HydrophobicContact CG2-CD1 4.21Å; I82-F114 HydrophobicContact CG2-CD2 4.03Å; I82-F114 HydrophobicContact CG2-CE1 3.96Å; I82-F114 HydrophobicContact CG2-CE2 3.76Å; I82-F114 HydrophobicContact CG2-CG 4.24Å; I82-F114 HydrophobicContact CG2-CZ 3.72Å; I82-L117 HydrophobicContact CG2-CD1 3.86Å
83Q95.7Very high94.7Very high80 Ų8050.1 Ų50.137%0.37429%0.293SS..Hα-helixtrans-60.8-44.9177.9-171.962.554.300111.7I79 Q80 L81 V85 L86 D87 F114I79-Q83 WeakPolarHBondContact O-CB 3.3Å; I79-Q83 PolarHBondContact O-N 2.97Å; Q80-Q83 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.35Å; Q83-V85 PolarHBondContact O-N 3.47Å; Q83-L86 WeakPolarHBondContact O-CB 3.32Å; Q83-L86 PolarHBondContact O-N 3.29Å; Q83-L86 VanDerWaalsContact O-N 3.11Å; Q83-D87 PolarHBondContact NE2-OD1 3.33Å; Q83-D87 WeakPolarHBondContact O-CB 3.42Å; Q83-D87 PolarHBondContact O-N 2.89Å; Q83-F114 HydrophobicContact CB-CZ 4.49Å
84S95.5Very high94.7Very high49 Ų4952.4 Ų52.434%0.34330%0.304SS..Hα-helixtrans-59.9-34.2178.3178.20000112.7Q80 L81 I82 S88Q80-S84 VanDerWaalsContact O-CB 3.28Å; Q80-S84 WeakPolarHBondContact O-CB 3.5Å; Q80-S84 PolarHBondContact O-N 2.95Å; L81-S84 PolarHBondContact O-N 3.05Å; I82-S84 PolarHBondContact O-N 3.48Å; S84-S88 PolarHBondContact O-N 2.88Å; S84-S88 PolarHBondContact O-OG 3.14Å
85V95.2Very high94.8Very high1 Ų152.5 Ų52.51%0.00630%0.304CS..Hα-helixtrans-69.7-44.3175.4172.60000111L7 V49 L81 I82 Q83 S88 V90 L92L7-V85 HydrophobicContact CD1-CG1 3.94Å; L7-V85 HydrophobicContact CD1-CG2 3.98Å; L7-V85 HydrophobicContact CD2-CB 4.45Å; L7-V85 HydrophobicContact CD2-CG1 3.61Å; L7-V85 HydrophobicContact CD2-CG2 3.99Å; L7-V85 HydrophobicContact CG-CG1 4.42Å; L7-V85 HydrophobicContact CG-CG2 4.4Å; V49-V85 HydrophobicContact CG2-CG2 4.07Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.48Å; L81-V85 VanDerWaalsContact O-N 3.13Å; I82-V85 PolarHBondContact O-N 3.42Å; Q83-V85 PolarHBondContact O-N 3.47Å; V85-S88 WeakPolarHBondContact O-CB 3.44Å; V85-S88 PolarHBondContact O-N 3.14Å; V85-V90 HydrophobicContact CG1-CB 3.9Å; V85-V90 HydrophobicContact CG1-CG1 4.15Å; V85-V90 HydrophobicContact CG1-CG2 4.3Å; V85-L92 HydrophobicContact CB-CD2 4.46Å; V85-L92 HydrophobicContact CG1-CB 4.44Å; V85-L92 HydrophobicContact CG1-CD2 4.03Å
86L94.6Very high94.9Very high56 Ų5653.1 Ų53.129%0.29331%0.305SS..Hα-helixtrans-61.2-44.8175.9-68.8170000111.4I82 Q83 S88 G89 L92 F114 L117I82-L86 HydrophobicContact CG2-CD1 4.29Å; I82-L86 WeakPolarHBondContact O-CG 3.3Å; I82-L86 PolarHBondContact O-N 3.34Å; I82-L86 VanDerWaalsContact O-N 3.12Å; Q83-L86 WeakPolarHBondContact O-CB 3.32Å; Q83-L86 PolarHBondContact O-N 3.29Å; Q83-L86 VanDerWaalsContact O-N 3.11Å; L86-S88 PolarHBondContact O-N 3.13Å; L86-G89 PolarHBondContact O-N 2.75Å; L86-L92 HydrophobicContact CD2-CB 3.91Å; L86-L92 HydrophobicContact CD2-CD2 4.15Å; L86-L92 HydrophobicContact CG-CD2 4.27Å; L86-F114 HydrophobicContact CD1-CD1 3.71Å; L86-F114 HydrophobicContact CD1-CE1 3.73Å; L86-L117 HydrophobicContact CD1-CD1 4.22Å; L86-L117 HydrophobicContact CD2-CD1 4.48Å; L86-L117 HydrophobicContact CD2-CD2 4.39Å
87D95.2Very high94.9Very high120 Ų12051.2 Ų51.264%0.64230%0.295SS*.Hα-helixtrans-64.7-25.3179.4-65-16.6000112.4Q83 G89Q83-D87 PolarHBondContact NE2-OD1 3.33Å; Q83-D87 WeakPolarHBondContact O-CB 3.42Å; Q83-D87 PolarHBondContact O-N 2.89Å; D87-G89 PolarHBondContact O-N 3.33Å
88S94Very high94.9Very high85 Ų8554.2 Ų54.259%0.59431%0.311SS*.THydrogen-bonded Turntrans-75.1-2.7175.4-58.30000113.4S84 V85 L86 V90S84-S88 PolarHBondContact O-N 2.88Å; S84-S88 PolarHBondContact O-OG 3.14Å; V85-S88 WeakPolarHBondContact O-CB 3.44Å; V85-S88 PolarHBondContact O-N 3.14Å; L86-S88 PolarHBondContact O-N 3.13Å; S88-V90 VanDerWaalsContact C-N 3.34Å
89G92.7Very high94.7Very high68 Ų6854.6 Ų54.670%0.70131%0.312SS*.THydrogen-bonded Turntrans78.814-18000000114.5L86 D87L86-G89 PolarHBondContact O-N 2.75Å; D87-G89 PolarHBondContact O-N 3.33Å
90V92.5Very high94Very high64 Ų6459.8 Ų59.839%0.38835%0.345SS..  trans-71.8132.7175.1178.90000109.2V85 S88 L92V85-V90 HydrophobicContact CG1-CB 3.9Å; V85-V90 HydrophobicContact CG1-CG1 4.15Å; V85-V90 HydrophobicContact CG1-CG2 4.3Å; S88-V90 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 3.11Å
91N93.6Very high93.3Very high148 Ų14857.5 Ų57.579%0.79135%0.349SS*.  trans-73.475.8173.3-175.629.8000110.8
92L94.6Very high92.9Very high30 Ų3064.9 Ų64.916%0.15738%0.381CS..  trans-77.9125178.9-174.260.5000109.8I82 V85 L86 V90 V95 L117I82-L92 HydrophobicContact CG2-CD2 4.13Å; V85-L92 HydrophobicContact CB-CD2 4.46Å; V85-L92 HydrophobicContact CG1-CB 4.44Å; V85-L92 HydrophobicContact CG1-CD2 4.03Å; L86-L92 HydrophobicContact CD2-CB 3.91Å; L86-L92 HydrophobicContact CD2-CD2 4.15Å; L86-L92 HydrophobicContact CG-CD2 4.27Å; V90-L92 PolarHBondContact O-N 3.11Å; L92-V95 HydrophobicContact CD1-CG2 4.16Å; L92-V95 HydrophobicContact CD2-CG2 3.88Å; L92-V95 HydrophobicContact CG-CG2 4.06Å; L92-L117 HydrophobicContact CB-CD2 4.22Å; L92-L117 HydrophobicContact CD2-CD1 3.9Å; L92-L117 HydrophobicContact CD2-CD2 4.45Å; L92-L117 HydrophobicContact CG-CD1 4.31Å; L92-L117 HydrophobicContact CG-CD2 4.03Å; L92-L117 WeakPolarHBondContact O-CD2 3.13Å
93V94.7Very high92.6Very high63 Ų6365.6 Ų65.638%0.38239%0.388SS..  trans-118.2-44.6-177.5-178.90000111.7I10 K118I10-V93 HydrophobicContact CD1-CB 4.25Å; V93-K118 PolarHBondContact O-N 3.47Å
94E95.5Very high92.4Very high52 Ų5268.7 Ų68.724%0.24340%0.403CS..EExtended strand (participates in β ladder)trans-122.3139-177.4-53.7-165.3144.600111Y96 K118E94-Y96 HydrophobicContact CB-CE2 3.88Å; E94-Y96 PolarHBondContact OE2-OH 3.08Å; E94-K118 WeakPolarHBondContact CA-O 3.42Å; E94-K118 HydrophobicContact CG-CB 4.37Å; E94-K118 HydrophobicContact CG-CD 4.27Å; E94-K118 WeakPolarHBondContact OE1-CD 3.45Å; E94-K118 IonicContact OE1-NZ 3.37Å; E94-K118 PolarHBondContact OE1-NZ 2.7Å
95V96.1Very high92.1Very high15 Ų1572.7 Ų72.79%0.09142%0.416CS..EExtended strand (participates in β ladder)trans-130125.4177.5-176.60000109.6I82 L92 V97 L117 K118 I119 R120I82-V95 HydrophobicContact CD1-CG1 3.94Å; I82-V95 HydrophobicContact CG1-CG1 4.21Å; L92-V95 HydrophobicContact CD1-CG2 4.16Å; L92-V95 HydrophobicContact CD2-CG2 3.88Å; L92-V95 HydrophobicContact CG-CG2 4.06Å; V95-V97 HydrophobicContact CG1-CG2 3.83Å; V95-L117 HydrophobicContact CG2-CD1 3.9Å; V95-K118 PolarHBondContact N-O 3.39Å; V95-I119 HydrophobicContact CB-CG1 4.22Å; V95-I119 WeakPolarHBondContact O-CA 3.13Å; V95-R120 PolarHBondContact O-N 3.24Å
96Y95.4Very high91.9Very high57 Ų5773.2 Ų73.222%0.22442%0.418CS..EExtended strand (participates in β ladder)trans-113.7125.2176.7-59.3-82.6000109.2E94 R120 Y129 I131E94-Y96 HydrophobicContact CB-CE2 3.88Å; E94-Y96 PolarHBondContact OE2-OH 3.08Å; Y96-R120 WeakPolarHBondContact CA-O 3.32Å; Y96-R120 HydrophobicContact CD1-CB 4Å; Y96-R120 HydrophobicContact CE1-CB 4.22Å; Y96-Y129 AromaticContact CD1-CD1 3.76Å; Y96-Y129 HydrophobicContact CD1-CD1 3.76Å; Y96-Y129 AromaticContact CD1-CD2 3.99Å; Y96-Y129 HydrophobicContact CD1-CD2 3.99Å; Y96-Y129 AromaticContact CD1-CE1 3.54Å; Y96-Y129 HydrophobicContact CD1-CE1 3.54Å; Y96-Y129 AromaticContact CD1-CE2 3.78Å; Y96-Y129 HydrophobicContact CD1-CE2 3.78Å; Y96-Y129 AromaticContact CD1-CG 3.98Å; Y96-Y129 HydrophobicContact CD1-CG 3.98Å; Y96-Y129 AromaticContact CD1-CZ 3.55Å; Y96-Y129 AromaticContact CE1-CD1 3.89Å; Y96-Y129 HydrophobicContact CE1-CD1 3.89Å; Y96-Y129 AromaticContact CE1-CE1 3.38Å; Y96-Y129 HydrophobicContact CE1-CE1 3.38Å; Y96-Y129 HydrophobicContact CE1-CE2 4.35Å; Y96-Y129 AromaticContact CE1-CZ 3.65Å; Y96-Y129 HydrophobicContact CG-CD1 4.13Å; Y96-Y129 HydrophobicContact CG-CD2 4.36Å; Y96-Y129 HydrophobicContact CG-CE1 4.36Å; Y96-Y129 HydrophobicContact CG-CG 4.13Å; Y96-I131 HydrophobicContact CD2-CG2 4.23Å
97V95.1Very high91.9Very high22 Ų2273.6 Ų73.613%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-125.3129.4-175.6-1720000110.7V95 Y106 L110 R120 V121 E122V95-V97 HydrophobicContact CG1-CG2 3.83Å; V97-Y106 HydrophobicContact CG1-CE1 3.73Å; V97-L110 HydrophobicContact CG2-CD1 3.94Å; V97-R120 PolarHBondContact N-O 3.04Å; V97-V121 HydrophobicContact CB-CG1 4.46Å; V97-V121 HydrophobicContact CB-CG2 4.18Å; V97-V121 WeakPolarHBondContact O-CA 3.46Å; V97-E122 PolarHBondContact O-N 3.32Å; V97-E122 VanDerWaalsContact O-N 3.12Å
98D94.3Very high91.8Very high68 Ų6871.6 Ų71.636%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-81134.7170.2-17343.8000110.9K124 A125 V132D98-K124 WeakPolarHBondContact OD1-CA 3.43Å; D98-K124 PolarHBondContact OD1-N 2.94Å; D98-A125 HydrophobicContact CB-CB 3.99Å; D98-A125 PolarHBondContact OD1-N 2.98Å; D98-V132 HydrophobicContact CB-CG1 3.93Å
99T91.2Very high91.7Very high17 Ų1771 Ų7110%0.10440%0.397CS..  trans-131.5149.9179.3-168.70000113.2A103 V121 E122T99-A103 HydrophobicContact CG2-CB 3.94Å; T99-V121 HydrophobicContact CG2-CG1 3.61Å; T99-E122 PolarHBondContact N-O 2.74Å; T99-E122 VanDerWaalsContact N-O 3.12Å
100V81.3Confident91.8Very high138 Ų13867.8 Ų67.884%0.83636%0.364SS*.SBendtrans-105.991167.4-69.30000108.8
101G81.5Confident91.9Very high56 Ų5667.7 Ų67.758%0.57736%0.359SS*.SBendtrans136.8-147.6176.200000114A103G101-A103 PolarHBondContact O-N 3.22Å; G101-A103 VanDerWaalsContact O-N 3.13Å
102K86.5Confident92Very high164 Ų16466.5 Ų66.571%0.71335%0.353SS*.  trans-75.4100.2-176.5-65.2-174.9178.6-173.90110.7E104K102-E104 PolarHBondContact O-N 2.78Å
103A89.9Confident92Very high24 Ų2469.5 Ų69.520%0.19837%0.368CS..Hα-helixtrans-57.8-43.7-179.300000113.5T99 G101 H105 Y106 E107 V121T99-A103 HydrophobicContact CG2-CB 3.94Å; G101-A103 PolarHBondContact O-N 3.22Å; G101-A103 VanDerWaalsContact O-N 3.13Å; A103-H105 PolarHBondContact O-N 2.94Å; A103-Y106 PolarHBondContact O-N 2.88Å; A103-E107 WeakPolarHBondContact O-CB 2.84Å; A103-E107 PolarHBondContact O-N 3.07Å; A103-V121 HydrophobicContact CB-CB 4.46Å; A103-V121 HydrophobicContact CB-CG1 4.21Å; A103-V121 WeakPolarHBondContact CB-O 3.3Å
104E91.2Very high92.1Very high146 Ų14667.1 Ų67.168%0.68235%0.353SS*.Hα-helixtrans-54-45.9-173.5-62.8171.1-173.100114K102 Y106 T108K102-E104 PolarHBondContact O-N 2.78Å; E104-Y106 VanDerWaalsContact C-N 3.32Å; E104-Y106 PolarHBondContact O-N 3.47Å; E104-T108 WeakPolarHBondContact O-CB 3.31Å; E104-T108 PolarHBondContact O-N 3.4Å; E104-T108 PolarHBondContact O-OG1 2.9Å
105H89.7Confident92Very high132 Ų13269.1 Ų69.161%0.61137%0.371SS*.Hα-helixtrans-67.6-36.4179.7-72.1-57.5000111.9A103 K109A103-H105 PolarHBondContact O-N 2.94Å; H105-K109 WeakPolarHBondContact O-CB 3.44Å; H105-K109 PolarHBondContact O-N 3.41Å
106Y91.4Very high91.8Very high13 Ų1377.6 Ų77.65%0.05141%0.409CS..Hα-helixtrans-75-41.6-179.1-174-153000111.1H75 A78 V97 A103 E104 K109 L110 V121H75-Y106 HydrophobicContact CB-CE2 3.9Å; H75-Y106 AromaticContact CD2-CD2 3.6Å; H75-Y106 AromaticContact CD2-CE1 3.81Å; H75-Y106 AromaticContact CD2-CE2 3.28Å; H75-Y106 WeakPolarHBondContact CD2-CE2 3.47Å; H75-Y106 AromaticContact CD2-CZ 3.4Å; H75-Y106 AromaticContact CG-CD2 3.9Å; H75-Y106 AromaticContact CG-CE2 3.56Å; H75-Y106 AromaticContact NE2-CD1 3.98Å; H75-Y106 AromaticContact NE2-CD2 3.71Å; H75-Y106 AromaticContact NE2-CE2 3.91Å; H75-Y106 AromaticContact NE2-CG 3.77Å; A78-Y106 WeakPolarHBondContact CB-OH 3.4Å; V97-Y106 HydrophobicContact CG1-CE1 3.73Å; A103-Y106 PolarHBondContact O-N 2.88Å; E104-Y106 VanDerWaalsContact C-N 3.32Å; E104-Y106 PolarHBondContact O-N 3.47Å; Y106-K109 WeakPolarHBondContact O-CB 3.39Å; Y106-K109 PolarHBondContact O-N 3.08Å; Y106-L110 HydrophobicContact CD2-CD1 4.17Å; Y106-L110 HydrophobicContact CD2-CG 4.02Å; Y106-L110 HydrophobicContact CE1-CD1 4.31Å; Y106-L110 HydrophobicContact CE2-CD1 3.76Å; Y106-L110 HydrophobicContact CE2-CD2 3.95Å; Y106-L110 HydrophobicContact CE2-CG 3.69Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 2.94Å; Y106-V121 HydrophobicContact CD1-CG1 3.69Å; Y106-V121 HydrophobicContact CD1-CG2 4.49Å; Y106-V121 HydrophobicContact CE1-CG1 4.4Å; Y106-V121 HydrophobicContact CG-CG1 4.39Å
107E92.9Very high91.8Very high63 Ų6375.3 Ų75.329%0.29440%0.401SS..Hα-helixtrans-57.5-49.7171.9-169.9170-158.600111.2A103 K109 L110 Q111 V121A103-E107 WeakPolarHBondContact O-CB 2.84Å; A103-E107 PolarHBondContact O-N 3.07Å; E107-K109 VanDerWaalsContact C-N 3.3Å; E107-K109 PolarHBondContact O-N 3.5Å; E107-L110 PolarHBondContact O-N 3.08Å; E107-L110 VanDerWaalsContact O-N 3.16Å; E107-Q111 VanDerWaalsContact O-CB 3.29Å; E107-Q111 WeakPolarHBondContact O-CB 3.45Å; E107-Q111 PolarHBondContact O-N 3.49Å; E107-V121 HydrophobicContact CB-CB 3.93Å; E107-V121 HydrophobicContact CB-CG2 3.71Å; E107-V121 HydrophobicContact CG-CB 4.44Å; E107-V121 HydrophobicContact CG-CG2 4.1Å
108T93.6Very high91.8Very high78 Ų7880.2 Ų80.248%0.47942%0.42SS..Hα-helixtrans-58.5-42.3176.4-56.40000111.6E104 N112E104-T108 WeakPolarHBondContact O-CB 3.31Å; E104-T108 PolarHBondContact O-N 3.4Å; E104-T108 PolarHBondContact O-OG1 2.9Å; T108-N112 WeakPolarHBondContact O-CB 3.33Å; T108-N112 PolarHBondContact O-N 3.26Å; T108-N112 PolarHBondContact O-ND2 3.25Å
109K93.1Very high91.8Very high74 Ų7477.3 Ų77.332%0.32241%0.405SS..Hα-helixtrans-60.7-47.1176.9-177.6-178.5177-171.90111.1D76 H105 Y106 E107 L113D76-K109 IonicContact OD1-NZ 3.32Å; H105-K109 WeakPolarHBondContact O-CB 3.44Å; H105-K109 PolarHBondContact O-N 3.41Å; Y106-K109 WeakPolarHBondContact O-CB 3.39Å; Y106-K109 PolarHBondContact O-N 3.08Å; E107-K109 VanDerWaalsContact C-N 3.3Å; E107-K109 PolarHBondContact O-N 3.5Å; K109-L113 HydrophobicContact CG-CD1 4.44Å; K109-L113 WeakPolarHBondContact O-CG 3.35Å; K109-L113 PolarHBondContact O-N 3.43Å
110L94.3Very high92Very high0 Ų082 Ų820%042%0.42CS..Hα-helixtrans-68.5-43.9-179.8-70.8177.4000111.9I79 I82 V97 Y106 E107 N112 L113 F114 I119 V121I79-L110 HydrophobicContact CD1-CD2 4.37Å; I79-L110 HydrophobicContact CG1-CD2 3.59Å; I82-L110 HydrophobicContact CD1-CD2 4.22Å; V97-L110 HydrophobicContact CG2-CD1 3.94Å; Y106-L110 HydrophobicContact CD2-CD1 4.17Å; Y106-L110 HydrophobicContact CD2-CG 4.02Å; Y106-L110 HydrophobicContact CE1-CD1 4.31Å; Y106-L110 HydrophobicContact CE2-CD1 3.76Å; Y106-L110 HydrophobicContact CE2-CD2 3.95Å; Y106-L110 HydrophobicContact CE2-CG 3.69Å; Y106-L110 WeakPolarHBondContact O-CG 3.39Å; Y106-L110 PolarHBondContact O-N 2.94Å; E107-L110 PolarHBondContact O-N 3.08Å; E107-L110 VanDerWaalsContact O-N 3.16Å; L110-N112 VanDerWaalsContact C-N 3.28Å; L110-N112 PolarHBondContact O-N 3.47Å; L110-L113 PolarHBondContact O-N 2.91Å; L110-L113 VanDerWaalsContact O-N 3.08Å; L110-F114 PolarHBondContact O-N 3.09Å; L110-I119 HydrophobicContact CB-CD1 3.79Å; L110-I119 HydrophobicContact CB-CG2 3.96Å; L110-I119 HydrophobicContact CD1-CG2 4.03Å; L110-V121 HydrophobicContact CD1-CG2 3.93Å
111Q95.1Very high92.6Very high62 Ų6275.6 Ų75.629%0.2938%0.382SS..Hα-helixtrans-61.8-36.4179.6-168.463.558.200111.8E107 F114 P115 L117E107-Q111 VanDerWaalsContact O-CB 3.29Å; E107-Q111 WeakPolarHBondContact O-CB 3.45Å; E107-Q111 PolarHBondContact O-N 3.49Å; Q111-F114 CarbonylContact O-C 3.49Å; Q111-P115 WeakPolarHBondContact O-CA 3.36Å; Q111-L117 PolarHBondContact NE2-O 3.16Å; Q111-L117 PolarHBondContact OE1-O 3.46Å
112N95.3Very high93.1Very high123 Ų12375.3 Ų75.366%0.65837%0.365SS*.Hα-helixtrans-68-33.5174.8-73.8-20.2000113.1T108 L110T108-N112 WeakPolarHBondContact O-CB 3.33Å; T108-N112 PolarHBondContact O-N 3.26Å; T108-N112 PolarHBondContact O-ND2 3.25Å; L110-N112 VanDerWaalsContact C-N 3.28Å; L110-N112 PolarHBondContact O-N 3.47Å
113L94.8Very high93.4Very high92 Ų9271.2 Ų71.248%0.48236%0.357SS..Hα-helixtrans-77.4-34.4178-70.1169.9000111.9I79 K109 L110 P115I79-L113 HydrophobicContact CD1-CD1 3.48Å; I79-L113 VanDerWaalsContact CD1-CD1 3.48Å; I79-L113 HydrophobicContact CG1-CD1 3.9Å; I79-L113 HydrophobicContact CG2-CD1 4.25Å; K109-L113 HydrophobicContact CG-CD1 4.44Å; K109-L113 WeakPolarHBondContact O-CG 3.35Å; K109-L113 PolarHBondContact O-N 3.43Å; L110-L113 PolarHBondContact O-N 2.91Å; L110-L113 VanDerWaalsContact O-N 3.08Å; L113-P115 VanDerWaalsContact C-CD 3.47Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å
114F95.3Very high93.2Very high14 Ų1476.4 Ų76.46%0.06138%0.375CS..  trans-12767.4-175.5-56.9-69.9000111.3I79 I82 Q83 L86 L110 Q111 Q116 L117 I119I79-F114 HydrophobicContact CG2-CE2 4.18Å; I79-F114 HydrophobicContact CG2-CZ 4.05Å; I82-F114 HydrophobicContact CB-CE2 4.05Å; I82-F114 HydrophobicContact CB-CZ 4.01Å; I82-F114 HydrophobicContact CD1-CE2 4.21Å; I82-F114 HydrophobicContact CG2-CD1 4.21Å; I82-F114 HydrophobicContact CG2-CD2 4.03Å; I82-F114 HydrophobicContact CG2-CE1 3.96Å; I82-F114 HydrophobicContact CG2-CE2 3.76Å; I82-F114 HydrophobicContact CG2-CG 4.24Å; I82-F114 HydrophobicContact CG2-CZ 3.72Å; Q83-F114 HydrophobicContact CB-CZ 4.49Å; L86-F114 HydrophobicContact CD1-CD1 3.71Å; L86-F114 HydrophobicContact CD1-CE1 3.73Å; L110-F114 PolarHBondContact O-N 3.09Å; Q111-F114 CarbonylContact O-C 3.49Å; F114-Q116 PolarHBondContact O-N 3.48Å; F114-Q116 VanDerWaalsContact O-N 3.09Å; F114-L117 HydrophobicContact CB-CB 4.2Å; F114-L117 HydrophobicContact CB-CD1 3.75Å; F114-L117 HydrophobicContact CB-CG 4.03Å; F114-L117 HydrophobicContact CD1-CD1 4.31Å; F114-L117 HydrophobicContact CG-CD1 4.06Å; F114-L117 PolarHBondContact O-N 3.08Å; F114-L117 VanDerWaalsContact O-N 3.08Å; F114-I119 HydrophobicContact CB-CD1 3.87Å; F114-I119 HydrophobicContact CD2-CD1 4.12Å; F114-I119 HydrophobicContact CG-CD1 4.45Å
115P93.7Very high93.1Very high94 Ų9469.5 Ų69.561%0.6134%0.343SS*.THydrogen-bonded Turntrans-64.6-19.8-172.225.2-35.3000114.2Q111 L113Q111-P115 WeakPolarHBondContact O-CA 3.36Å; L113-P115 VanDerWaalsContact C-CD 3.47Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å
116Q92.7Very high93Very high192 Ų19263.9 Ų63.990%0.89732%0.318SS*.THydrogen-bonded Turntrans-83.4-16.3179.7-58.9-179.416.600113F114F114-Q116 PolarHBondContact O-N 3.48Å; F114-Q116 VanDerWaalsContact O-N 3.09Å
117L94.4Very high92.7Very high10 Ų1067 Ų675%0.05234%0.335CS..SBendtrans-92.8145-178.2-60.1-177.9000110.4I82 L86 L92 V95 Q111 F114 I119I82-L117 HydrophobicContact CG2-CD1 3.86Å; L86-L117 HydrophobicContact CD1-CD1 4.22Å; L86-L117 HydrophobicContact CD2-CD1 4.48Å; L86-L117 HydrophobicContact CD2-CD2 4.39Å; L92-L117 HydrophobicContact CB-CD2 4.22Å; L92-L117 HydrophobicContact CD2-CD1 3.9Å; L92-L117 HydrophobicContact CD2-CD2 4.45Å; L92-L117 HydrophobicContact CG-CD1 4.31Å; L92-L117 HydrophobicContact CG-CD2 4.03Å; L92-L117 WeakPolarHBondContact O-CD2 3.13Å; V95-L117 HydrophobicContact CG2-CD1 3.9Å; Q111-L117 PolarHBondContact NE2-O 3.16Å; Q111-L117 PolarHBondContact OE1-O 3.46Å; F114-L117 HydrophobicContact CB-CB 4.2Å; F114-L117 HydrophobicContact CB-CD1 3.75Å; F114-L117 HydrophobicContact CB-CG 4.03Å; F114-L117 HydrophobicContact CD1-CD1 4.31Å; F114-L117 HydrophobicContact CG-CD1 4.06Å; F114-L117 PolarHBondContact O-N 3.08Å; F114-L117 VanDerWaalsContact O-N 3.08Å; L117-I119 HydrophobicContact CB-CD1 4.24Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 PolarHBondContact O-N 2.85Å
118K94.8Very high92.5Very high125 Ų12567.9 Ų67.954%0.54335%0.345SS..EExtended strand (participates in β ladder)trans-85.9101167.1-179.6178.9165.2-159.80108.4V93 E94 V95V93-K118 PolarHBondContact O-N 3.47Å; E94-K118 WeakPolarHBondContact CA-O 3.42Å; E94-K118 HydrophobicContact CG-CB 4.37Å; E94-K118 HydrophobicContact CG-CD 4.27Å; E94-K118 WeakPolarHBondContact OE1-CD 3.45Å; E94-K118 IonicContact OE1-NZ 3.37Å; E94-K118 PolarHBondContact OE1-NZ 2.7Å; V95-K118 PolarHBondContact N-O 3.39Å
119I95.6Very high92.3Very high7 Ų765.8 Ų65.84%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-101.7134.4-177-55.1-167.7000109.2V95 L110 F114 L117 V121V95-I119 HydrophobicContact CB-CG1 4.22Å; V95-I119 WeakPolarHBondContact O-CA 3.13Å; L110-I119 HydrophobicContact CB-CD1 3.79Å; L110-I119 HydrophobicContact CB-CG2 3.96Å; L110-I119 HydrophobicContact CD1-CG2 4.03Å; F114-I119 HydrophobicContact CB-CD1 3.87Å; F114-I119 HydrophobicContact CD2-CD1 4.12Å; F114-I119 HydrophobicContact CG-CD1 4.45Å; L117-I119 HydrophobicContact CB-CD1 4.24Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 PolarHBondContact O-N 2.85Å; I119-V121 HydrophobicContact CG2-CG2 4.14Å
120R94.5Very high92.2Very high115 Ų11563.8 Ų63.843%0.43432%0.323SS..EExtended strand (participates in β ladder)trans-130.3125.8171.8-172163.7179.2-179-6.5109.5V95 Y96 V97 E122 Y129V95-R120 PolarHBondContact O-N 3.24Å; Y96-R120 WeakPolarHBondContact CA-O 3.32Å; Y96-R120 HydrophobicContact CD1-CB 4Å; Y96-R120 HydrophobicContact CE1-CB 4.22Å; V97-R120 PolarHBondContact N-O 3.04Å; R120-E122 HydrophobicContact CG-CG 4.11Å; R120-E122 IonicContact CZ-OE1 2.65Å; R120-E122 IonicContact NE-OE1 3.06Å; R120-E122 PolarHBondContact NE-OE1 2.68Å; R120-E122 IonicContact NH2-OE1 3.63Å; R120-E122 PolarHBondContact NH2-OE1 3.02Å; R120-E122 IonicContact NH2-OE2 2.69Å; R120-Y129 VanDerWaalsContact CD-OH 3.3Å; R120-Y129 WeakPolarHBondContact CD-OH 3.22Å; R120-Y129 PolarHBondContact NE-OH 3.12Å; R120-Y129 VanDerWaalsContact NE-OH 3.13Å; R120-Y129 PolarHBondContact NH1-OH 3.12Å; R120-Y129 VanDerWaalsContact NH1-OH 3.14Å
121V94.5Very high92.1Very high4 Ų464.8 Ų64.82%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-116.3124.8178.4-174.80000108.2V97 T99 A103 Y106 E107 L110 I119V97-V121 HydrophobicContact CB-CG1 4.46Å; V97-V121 HydrophobicContact CB-CG2 4.18Å; V97-V121 WeakPolarHBondContact O-CA 3.46Å; T99-V121 HydrophobicContact CG2-CG1 3.61Å; A103-V121 HydrophobicContact CB-CB 4.46Å; A103-V121 HydrophobicContact CB-CG1 4.21Å; A103-V121 WeakPolarHBondContact CB-O 3.3Å; Y106-V121 HydrophobicContact CD1-CG1 3.69Å; Y106-V121 HydrophobicContact CD1-CG2 4.49Å; Y106-V121 HydrophobicContact CE1-CG1 4.4Å; Y106-V121 HydrophobicContact CG-CG1 4.39Å; E107-V121 HydrophobicContact CB-CB 3.93Å; E107-V121 HydrophobicContact CB-CG2 3.71Å; E107-V121 HydrophobicContact CG-CB 4.44Å; E107-V121 HydrophobicContact CG-CG2 4.1Å; L110-V121 HydrophobicContact CD1-CG2 3.93Å; I119-V121 HydrophobicContact CG2-CG2 4.14Å
122E92.8Very high92Very high49 Ų4962.4 Ų62.423%0.22932%0.318CS..EExtended strand (participates in β ladder)trans-139.7153.1180-65-170.3160.200111.2V97 T99 R120 A125V97-E122 PolarHBondContact O-N 3.32Å; V97-E122 VanDerWaalsContact O-N 3.12Å; T99-E122 PolarHBondContact N-O 2.74Å; T99-E122 VanDerWaalsContact N-O 3.12Å; R120-E122 HydrophobicContact CG-CG 4.11Å; R120-E122 IonicContact CZ-OE1 2.65Å; R120-E122 IonicContact NE-OE1 3.06Å; R120-E122 PolarHBondContact NE-OE1 2.68Å; R120-E122 IonicContact NH2-OE1 3.63Å; R120-E122 PolarHBondContact NH2-OE1 3.02Å; R120-E122 IonicContact NH2-OE2 2.69Å; E122-A125 HydrophobicContact CB-CB 4.31Å
123S90.9Very high91.8Very high78 Ų7856.6 Ų56.655%0.54529%0.287SS..THydrogen-bonded Turntrans-76.3134.3168.259.10000109.7A125S123-A125 VanDerWaalsContact C-N 3.29Å
124K86.3Confident91.6Very high134 Ų13452.2 Ų52.258%0.58326%0.264SS*.THydrogen-bonded Turntrans63.436.2-177.1-49.9178.5179.8-179.80112.2D98 D126 D127D98-K124 WeakPolarHBondContact OD1-CA 3.43Å; D98-K124 PolarHBondContact OD1-N 2.94Å; K124-D126 WeakPolarHBondContact CA-OD1 3.35Å; K124-D126 PolarHBondContact O-N 2.93Å; K124-D126 VanDerWaalsContact O-N 3.14Å; K124-D127 PolarHBondContact O-N 2.69Å
125A89.8Confident91.6Very high1 Ų152.2 Ų52.21%0.00827%0.266CS..Hα-helixtrans-62.8-19.8178.100000111.8D98 E122 S123 D127 T128 Y129 V132D98-A125 HydrophobicContact CB-CB 3.99Å; D98-A125 PolarHBondContact OD1-N 2.98Å; E122-A125 HydrophobicContact CB-CB 4.31Å; S123-A125 VanDerWaalsContact C-N 3.29Å; A125-D127 VanDerWaalsContact C-N 3.3Å; A125-D127 PolarHBondContact O-N 2.65Å; A125-T128 PolarHBondContact O-N 3.02Å; A125-Y129 HydrophobicContact CB-CD2 4.09Å; A125-Y129 WeakPolarHBondContact O-CB 3.39Å; A125-Y129 PolarHBondContact O-N 3.28Å; A125-V132 HydrophobicContact CB-CG1 4.05Å; A125-V132 HydrophobicContact CB-CG2 4.33Å
126D87.3Confident91.5Very high13 Ų1349 Ų497%0.0725%0.246CC..Hα-helixtrans-65.6-28.3173.264.3-23.3000114K25 K124 V132 S133K25-D126 VanDerWaalsContact CE-CG 3.44Å; K25-D126 WeakPolarHBondContact CE-OD1 3.39Å; K25-D126 WeakPolarHBondContact CE-OD2 3.29Å; K25-D126 IonicContact NZ-OD1 3.66Å; K25-D126 PolarHBondContact NZ-OD1 3.05Å; K25-D126 IonicContact NZ-OD2 2.73Å; K25-D126 PolarHBondContact NZ-OD2 3.45Å; K124-D126 WeakPolarHBondContact CA-OD1 3.35Å; K124-D126 PolarHBondContact O-N 2.93Å; K124-D126 VanDerWaalsContact O-N 3.14Å; D126-V132 HydrophobicContact CB-CG1 4.14Å; D126-S133 WeakPolarHBondContact O-CB 3.13Å
127D85.7Confident91.5Very high79 Ų7939.8 Ų39.842%0.42220%0.203SC..Hα-helixtrans-80.2-30.7175.3-62.6-25000111.7K25 K124 A125K25-D127 VanDerWaalsContact CE-OD1 3.3Å; K25-D127 WeakPolarHBondContact CE-OD1 3.25Å; K25-D127 IonicContact NZ-OD1 3.97Å; K25-D127 PolarHBondContact NZ-OD1 3.04Å; K25-D127 IonicContact NZ-OD2 2.85Å; K25-D127 PolarHBondContact NZ-OD2 3.24Å; K124-D127 PolarHBondContact O-N 2.69Å; A125-D127 VanDerWaalsContact C-N 3.3Å; A125-D127 PolarHBondContact O-N 2.65Å
128T87.1Confident91.5Very high81 Ų8140.2 Ų40.250%0.49721%0.205SC..Hα-helixtrans-87.9-39.4-175.6-520000112.5A125A125-T128 PolarHBondContact O-N 3.02Å
129Y90Very high91.5Very high34 Ų3435.1 Ų35.113%0.13319%0.186CC..  trans-117.7113.8-170.2-61.5-72.9000111Y96 R120 A125 I131 V132 S133Y96-Y129 AromaticContact CD1-CD1 3.76Å; Y96-Y129 HydrophobicContact CD1-CD1 3.76Å; Y96-Y129 AromaticContact CD1-CD2 3.99Å; Y96-Y129 HydrophobicContact CD1-CD2 3.99Å; Y96-Y129 AromaticContact CD1-CE1 3.54Å; Y96-Y129 HydrophobicContact CD1-CE1 3.54Å; Y96-Y129 AromaticContact CD1-CE2 3.78Å; Y96-Y129 HydrophobicContact CD1-CE2 3.78Å; Y96-Y129 AromaticContact CD1-CG 3.98Å; Y96-Y129 HydrophobicContact CD1-CG 3.98Å; Y96-Y129 AromaticContact CD1-CZ 3.55Å; Y96-Y129 AromaticContact CE1-CD1 3.89Å; Y96-Y129 HydrophobicContact CE1-CD1 3.89Å; Y96-Y129 AromaticContact CE1-CE1 3.38Å; Y96-Y129 HydrophobicContact CE1-CE1 3.38Å; Y96-Y129 HydrophobicContact CE1-CE2 4.35Å; Y96-Y129 AromaticContact CE1-CZ 3.65Å; Y96-Y129 HydrophobicContact CG-CD1 4.13Å; Y96-Y129 HydrophobicContact CG-CD2 4.36Å; Y96-Y129 HydrophobicContact CG-CE1 4.36Å; Y96-Y129 HydrophobicContact CG-CG 4.13Å; R120-Y129 VanDerWaalsContact CD-OH 3.3Å; R120-Y129 WeakPolarHBondContact CD-OH 3.22Å; R120-Y129 PolarHBondContact NE-OH 3.12Å; R120-Y129 VanDerWaalsContact NE-OH 3.13Å; R120-Y129 PolarHBondContact NH1-OH 3.12Å; R120-Y129 VanDerWaalsContact NH1-OH 3.14Å; A125-Y129 HydrophobicContact CB-CD2 4.09Å; A125-Y129 WeakPolarHBondContact O-CB 3.39Å; A125-Y129 PolarHBondContact O-N 3.28Å; Y129-I131 PolarHBondContact O-N 3Å; Y129-I131 VanDerWaalsContact O-N 3.14Å; Y129-V132 HydrophobicContact CG-CG2 4.46Å; Y129-V132 WeakPolarHBondContact O-CB 3.4Å; Y129-V132 PolarHBondContact O-N 3.47Å; Y129-S133 PolarHBondContact O-N 2.8Å; Y129-S133 VanDerWaalsContact O-N 3.12Å
130P90.4Very high91.4Very high32 Ų3236.9 Ų36.921%0.20819%0.193CC..Hα-helixtrans-54.6-35.9179.4-26.532.1000113.8L16 E17 V132 S133 A134L16-P130 HydrophobicContact CB-CB 3.81Å; E17-P130 HydrophobicContact CG-CG 3.5Å; E17-P130 VanDerWaalsContact CG-CG 3.5Å; P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 2.71Å; P130-S133 WeakPolarHBondContact O-CB 3.47Å; P130-S133 PolarHBondContact O-N 3.31Å; P130-A134 PolarHBondContact O-N 3.05Å
131I92Very high91.3Very high21 Ų2131.5 Ų31.511%0.10817%0.173CC..Hα-helixtrans-65.9-34.4178-166.761.6000112.6A6 L16 Y96 Y129 A134 A135A6-I131 HydrophobicContact CB-CD1 3.69Å; A6-I131 HydrophobicContact CB-CG1 4.23Å; A6-I131 WeakPolarHBondContact O-CG1 3.5Å; L16-I131 HydrophobicContact CD1-CB 4.22Å; L16-I131 HydrophobicContact CD1-CD1 3.92Å; Y96-I131 HydrophobicContact CD2-CG2 4.23Å; Y129-I131 PolarHBondContact O-N 3Å; Y129-I131 VanDerWaalsContact O-N 3.14Å; I131-A134 WeakPolarHBondContact O-CB 3.42Å; I131-A134 PolarHBondContact O-N 3.23Å; I131-A135 PolarHBondContact O-N 2.69Å
132V93.3Very high91.4Very high13 Ų1333 Ų338%0.07918%0.182CC..Hα-helixtrans-72.5-36.9175.3-178.50000109.9D98 A125 D126 Y129 P130 A135 S136D98-V132 HydrophobicContact CB-CG1 3.93Å; A125-V132 HydrophobicContact CB-CG1 4.05Å; A125-V132 HydrophobicContact CB-CG2 4.33Å; D126-V132 HydrophobicContact CB-CG1 4.14Å; Y129-V132 HydrophobicContact CG-CG2 4.46Å; Y129-V132 WeakPolarHBondContact O-CB 3.4Å; Y129-V132 PolarHBondContact O-N 3.47Å; P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 2.71Å; V132-A135 PolarHBondContact O-N 2.74Å; V132-S136 WeakPolarHBondContact O-CB 3.49Å; V132-S136 PolarHBondContact O-N 3.01Å
133S90.9Very high91.5Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-63-42.2171.2-168.60000112.2L21 D126 Y129 P130 A135 S136 I137L21-S133 PolarHBondContact O-OG 3.3Å; D126-S133 WeakPolarHBondContact O-CB 3.13Å; Y129-S133 PolarHBondContact O-N 2.8Å; Y129-S133 VanDerWaalsContact O-N 3.12Å; P130-S133 WeakPolarHBondContact O-CB 3.47Å; P130-S133 PolarHBondContact O-N 3.31Å; S133-A135 PolarHBondContact O-N 3.48Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.29Å; S133-S136 PolarHBondContact O-N 3.1Å; S133-S136 VanDerWaalsContact O-N 3.14Å; S133-I137 WeakPolarHBondContact O-CG1 3.18Å; S133-I137 PolarHBondContact O-N 3.03Å
134A92.1Very high91.6Very high0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-56.8-48.7173.300000111.2A6 L21 M39 I46 P130 I131 S136 I137 F138A6-A134 HydrophobicContact CB-CB 4.03Å; L21-A134 HydrophobicContact CD1-CB 3.93Å; M39-A134 HydrophobicContact CE-CB 4.47Å; M39-A134 HydrophobicContact SD-CB 3.82Å; I46-A134 HydrophobicContact CD1-CB 4.07Å; P130-A134 PolarHBondContact O-N 3.05Å; I131-A134 WeakPolarHBondContact O-CB 3.42Å; I131-A134 PolarHBondContact O-N 3.23Å; A134-S136 VanDerWaalsContact C-N 3.3Å; A134-S136 PolarHBondContact O-N 3.37Å; A134-I137 PolarHBondContact O-N 2.96Å; A134-I137 VanDerWaalsContact O-N 3.14Å; A134-F138 WeakPolarHBondContact O-CD2 3.38Å; A134-F138 PolarHBondContact O-N 3.39Å
135A94.2Very high92Very high14 Ų1429.6 Ų29.612%0.11615%0.153CC..Hα-helixtrans-58.4-41.7175.600000112.1A4 A6 I131 V132 S133 I137 F138 A139A4-A135 WeakPolarHBondContact CB-O 3.5Å; A6-A135 HydrophobicContact CB-CB 3.91Å; I131-A135 PolarHBondContact O-N 2.69Å; V132-A135 PolarHBondContact O-N 2.74Å; S133-A135 PolarHBondContact O-N 3.48Å; A135-I137 VanDerWaalsContact C-N 3.33Å; A135-I137 PolarHBondContact O-N 2.89Å; A135-F138 PolarHBondContact O-N 2.92Å; A135-A139 WeakPolarHBondContact O-CB 3.33Å; A135-A139 PolarHBondContact O-N 3.08Å
136S92.9Very high92.2Very high26 Ų2631.6 Ų31.618%0.18216%0.164CC..Hα-helixtrans-59.3-41.5175.3-167.20000112.1V132 S133 A134 A139 K140V132-S136 WeakPolarHBondContact O-CB 3.49Å; V132-S136 PolarHBondContact O-N 3.01Å; S133-S136 VanDerWaalsContact O-CB 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.29Å; S133-S136 PolarHBondContact O-N 3.1Å; S133-S136 VanDerWaalsContact O-N 3.14Å; A134-S136 VanDerWaalsContact C-N 3.3Å; A134-S136 PolarHBondContact O-N 3.37Å; S136-A139 PolarHBondContact O-N 3.41Å; S136-K140 WeakPolarHBondContact O-CB 3.36Å; S136-K140 WeakPolarHBondContact O-CD 3.36Å; S136-K140 WeakPolarHBondContact O-CG 3.38Å; S136-K140 PolarHBondContact O-N 3.35Å; S136-K140 WeakPolarHBondContact OG-CE 3.43Å; S136-K140 PolarHBondContact OG-NZ 2.92Å
137I92.2Very high92.4Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-65.1-48.3175.7-68.9163.1000110.7L21 L35 L36 S133 A134 A135 A139 K140 V141L21-I137 HydrophobicContact CD2-CD1 3.67Å; L35-I137 HydrophobicContact CD1-CD1 4.4Å; L36-I137 HydrophobicContact CB-CG2 4.06Å; L36-I137 HydrophobicContact CD1-CG2 4.37Å; S133-I137 WeakPolarHBondContact O-CG1 3.18Å; S133-I137 PolarHBondContact O-N 3.03Å; A134-I137 PolarHBondContact O-N 2.96Å; A134-I137 VanDerWaalsContact O-N 3.14Å; A135-I137 VanDerWaalsContact C-N 3.33Å; A135-I137 PolarHBondContact O-N 2.89Å; I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 PolarHBondContact O-N 3.26Å; I137-K140 PolarHBondContact O-N 2.78Å; I137-V141 HydrophobicContact CG2-CG2 4.12Å; I137-V141 WeakPolarHBondContact O-CB 3.41Å; I137-V141 WeakPolarHBondContact O-CG2 3.5Å; I137-V141 PolarHBondContact O-N 3.31Å
138F94.3Very high92.7Very high19 Ų1935.7 Ų35.78%0.08318%0.182CC..Hα-helixtrans-55.4-47.1175.8-81.3-73.3000111.6A4 A6 L36 M39 L40 I46 A48 V50 A134 A135 T142A4-F138 HydrophobicContact CB-CB 3.95Å; A6-F138 HydrophobicContact CB-CD2 4.32Å; A6-F138 HydrophobicContact CB-CE2 4.42Å; L36-F138 HydrophobicContact CD1-CD1 3.58Å; L36-F138 HydrophobicContact CD1-CE1 3.41Å; L36-F138 VanDerWaalsContact CD1-CE1 3.41Å; L36-F138 HydrophobicContact CD1-CE2 4.4Å; L36-F138 HydrophobicContact CD1-CG 4.17Å; L36-F138 HydrophobicContact CD1-CZ 3.84Å; M39-F138 HydrophobicContact CE-CD2 3.96Å; M39-F138 HydrophobicContact CE-CE1 4.36Å; M39-F138 HydrophobicContact CE-CE2 3.17Å; M39-F138 HydrophobicContact CE-CZ 3.42Å; M39-F138 VanDerWaalsContact CE-CZ 3.42Å; L40-F138 HydrophobicContact CD2-CE1 4.27Å; L40-F138 HydrophobicContact CD2-CZ 4Å; I46-F138 HydrophobicContact CD1-CE2 4.45Å; A48-F138 HydrophobicContact CB-CB 4.4Å; A48-F138 HydrophobicContact CB-CD1 3.67Å; A48-F138 HydrophobicContact CB-CD2 3.53Å; A48-F138 HydrophobicContact CB-CE1 3.65Å; A48-F138 HydrophobicContact CB-CE2 3.52Å; A48-F138 HydrophobicContact CB-CG 3.62Å; A48-F138 HydrophobicContact CB-CZ 3.59Å; V50-F138 HydrophobicContact CG2-CB 4.47Å; A134-F138 WeakPolarHBondContact O-CD2 3.38Å; A134-F138 PolarHBondContact O-N 3.39Å; A135-F138 PolarHBondContact O-N 2.92Å; F138-T142 VanDerWaalsContact O-CB 3.25Å; F138-T142 WeakPolarHBondContact O-CB 3.39Å; F138-T142 PolarHBondContact O-N 2.9Å; F138-T142 PolarHBondContact O-OG1 3.4Å
139A94.8Very high92.9Very high18 Ų1838.6 Ų38.615%0.14919%0.192CC..Hα-helixtrans-61.8-48.8178.700000112.4V2 A4 A135 S136 I137 R143V2-A139 HydrophobicContact CG1-CB 4.23Å; A4-A139 HydrophobicContact CB-CB 3.82Å; A135-A139 WeakPolarHBondContact O-CB 3.33Å; A135-A139 PolarHBondContact O-N 3.08Å; S136-A139 PolarHBondContact O-N 3.41Å; I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 PolarHBondContact O-N 3.26Å; A139-R143 WeakPolarHBondContact O-CB 3.48Å; A139-R143 PolarHBondContact O-N 2.94Å
140K92.7Very high93Very high44 Ų4438.8 Ų38.819%0.19119%0.192CC..Hα-helixtrans-65-48.5-178.6-71.2165.8-175.2163.90111.9S24 S136 I137 T142 R143 D144S24-K140 PolarHBondContact OG-NZ 3.45Å; S136-K140 WeakPolarHBondContact O-CB 3.36Å; S136-K140 WeakPolarHBondContact O-CD 3.36Å; S136-K140 WeakPolarHBondContact O-CG 3.38Å; S136-K140 PolarHBondContact O-N 3.35Å; S136-K140 WeakPolarHBondContact OG-CE 3.43Å; S136-K140 PolarHBondContact OG-NZ 2.92Å; I137-K140 PolarHBondContact O-N 2.78Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.3Å; K140-R143 WeakPolarHBondContact O-CB 3.5Å; K140-R143 PolarHBondContact O-N 3.15Å; K140-D144 PolarHBondContact O-N 2.78Å
141V94Very high93.1Very high2 Ų239.5 Ų39.51%0.01220%0.197CC..Hα-helixtrans-63.5-41.4179.6174.80000110.8R32 E33 L36 I137 D144 R145R32-V141 HydrophobicContact CB-CG2 3.73Å; E33-V141 HydrophobicContact CG-CG1 4.37Å; L36-V141 HydrophobicContact CB-CG2 4.42Å; L36-V141 HydrophobicContact CD2-CB 3.99Å; L36-V141 HydrophobicContact CD2-CG1 3.6Å; L36-V141 HydrophobicContact CD2-CG2 4.22Å; I137-V141 HydrophobicContact CG2-CG2 4.12Å; I137-V141 WeakPolarHBondContact O-CB 3.41Å; I137-V141 WeakPolarHBondContact O-CG2 3.5Å; I137-V141 PolarHBondContact O-N 3.31Å; V141-D144 PolarHBondContact O-N 2.76Å; V141-R145 HydrophobicContact CG1-CG 4.35Å; V141-R145 WeakPolarHBondContact O-CB 3.28Å; V141-R145 VanDerWaalsContact O-CG 3.32Å; V141-R145 WeakPolarHBondContact O-CG 3.46Å; V141-R145 PolarHBondContact O-N 2.92Å
142T95.6Very high92.9Very high34 Ų3446.6 Ų46.621%0.20923%0.227CC..Hα-helixtrans-65.3-43.2177.9-55.50000111.2V2 V50 V52 F138 K140 D144 R145 V146V2-T142 HydrophobicContact CG1-CG2 4.32Å; V50-T142 HydrophobicContact CG1-CG2 3.89Å; V52-T142 HydrophobicContact CG2-CG2 3.96Å; F138-T142 VanDerWaalsContact O-CB 3.25Å; F138-T142 WeakPolarHBondContact O-CB 3.39Å; F138-T142 PolarHBondContact O-N 2.9Å; F138-T142 PolarHBondContact O-OG1 3.4Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.3Å; T142-D144 VanDerWaalsContact C-N 3.32Å; T142-D144 PolarHBondContact O-N 3.03Å; T142-R145 PolarHBondContact O-N 3.33Å; T142-V146 HydrophobicContact CG2-CG2 4.19Å; T142-V146 WeakPolarHBondContact O-CB 3.44Å; T142-V146 WeakPolarHBondContact O-CG2 3.21Å; T142-V146 PolarHBondContact O-N 3.44Å
143R94.8Very high92.7Very high92 Ų9253.4 Ų53.435%0.34726%0.258SS..Hα-helixtrans-55.3-48.8174.5-177.8-157.678.3167.69.3111.4V2 A139 K140 V146 L147V2-R143 HydrophobicContact CB-CB 4.28Å; V2-R143 HydrophobicContact CG2-CB 3.76Å; V2-R143 HydrophobicContact CG2-CG 4.32Å; A139-R143 WeakPolarHBondContact O-CB 3.48Å; A139-R143 PolarHBondContact O-N 2.94Å; K140-R143 WeakPolarHBondContact O-CB 3.5Å; K140-R143 PolarHBondContact O-N 3.15Å; R143-V146 PolarHBondContact O-N 2.94Å; R143-L147 PolarHBondContact O-N 3.35Å
144D92.8Very high92.7Very high11 Ų1157.3 Ų57.36%0.05928%0.276CS..Hα-helixtrans-65.4-45.5-176.5-65-16.4000110.7E29 R32 K140 V141 T142 V146 L147 Q148E29-D144 HydrophobicContact CG-CB 4.22Å; E29-D144 WeakPolarHBondContact OE1-CB 3.46Å; R32-D144 IonicContact CZ-OD2 2.77Å; R32-D144 IonicContact NE-OD2 2.72Å; R32-D144 IonicContact NH2-OD2 3.6Å; R32-D144 PolarHBondContact NH2-OD2 2.94Å; K140-D144 PolarHBondContact O-N 2.78Å; V141-D144 PolarHBondContact O-N 2.76Å; T142-D144 VanDerWaalsContact C-N 3.32Å; T142-D144 PolarHBondContact O-N 3.03Å; D144-V146 PolarHBondContact O-N 3.07Å; D144-L147 PolarHBondContact O-N 3.39Å; D144-Q148 WeakPolarHBondContact O-CG 3.36Å; D144-Q148 PolarHBondContact O-N 3.04Å
145R94.4Very high92.7Very high88 Ų8860 Ų6033%0.33229%0.286SS..Hα-helixtrans-60.2-46.1174.5-72.5178.8-179.6172.62.6113.1E33 V141 T142 L147 Q148 M149E33-R145 IonicContact OE1-CZ 2.74Å; E33-R145 IonicContact OE1-NE 2.88Å; E33-R145 PolarHBondContact OE1-NE 2.95Å; E33-R145 IonicContact OE1-NH2 2.95Å; E33-R145 PolarHBondContact OE1-NH2 2.79Å; V141-R145 HydrophobicContact CG1-CG 4.35Å; V141-R145 WeakPolarHBondContact O-CB 3.28Å; V141-R145 VanDerWaalsContact O-CG 3.32Å; V141-R145 WeakPolarHBondContact O-CG 3.46Å; V141-R145 PolarHBondContact O-N 2.92Å; T142-R145 PolarHBondContact O-N 3.33Å; R145-L147 VanDerWaalsContact C-N 3.26Å; R145-L147 PolarHBondContact O-N 3.33Å; R145-Q148 PolarHBondContact O-N 3.31Å; R145-M149 HydrophobicContact CB-CE 4.17Å; R145-M149 WeakPolarHBondContact O-CB 3.41Å; R145-M149 WeakPolarHBondContact O-CE 3.41Å; R145-M149 WeakPolarHBondContact O-CG 3.42Å; R145-M149 PolarHBondContact O-N 2.7Å
146V94.5Very high92.5Very high42 Ų4260.3 Ų60.326%0.25529%0.292SS..Hα-helixtrans-60.2-39.7177.7168.80000110.7V52 T142 R143 D144 W150V52-V146 HydrophobicContact CG1-CG1 4.43Å; V52-V146 HydrophobicContact CG1-CG2 4.44Å; V52-V146 HydrophobicContact CG2-CG2 4.5Å; T142-V146 HydrophobicContact CG2-CG2 4.19Å; T142-V146 WeakPolarHBondContact O-CB 3.44Å; T142-V146 WeakPolarHBondContact O-CG2 3.21Å; T142-V146 PolarHBondContact O-N 3.44Å; R143-V146 PolarHBondContact O-N 2.94Å; D144-V146 PolarHBondContact O-N 3.07Å; V146-W150 HydrophobicContact CG1-CE3 4.05Å; V146-W150 HydrophobicContact CG1-CZ3 4.1Å; V146-W150 PolarHBondContact O-N 2.88Å; V146-W150 VanDerWaalsContact O-N 3.08Å
147L92.5Very high92.4Very high60 Ų6064.8 Ų64.831%0.31432%0.323SS..Hα-helixtrans-68.3-41.7177-173.168.3000112.2R143 D144 R145 M149 W150 R155 L164 L191R143-L147 PolarHBondContact O-N 3.35Å; D144-L147 PolarHBondContact O-N 3.39Å; R145-L147 VanDerWaalsContact C-N 3.26Å; R145-L147 PolarHBondContact O-N 3.33Å; L147-M149 VanDerWaalsContact C-N 3.32Å; L147-M149 PolarHBondContact O-N 3.47Å; L147-W150 VanDerWaalsContact O-CB 3.3Å; L147-W150 WeakPolarHBondContact O-CB 3.47Å; L147-W150 PolarHBondContact O-N 3.4Å; L147-R155 PolarHBondContact O-NH2 3.24Å; L147-L164 HydrophobicContact CD1-CD1 4.09Å; L147-L164 HydrophobicContact CG-CD1 4.28Å; L147-L191 HydrophobicContact CD1-CD1 3.79Å; L147-L191 HydrophobicContact CD1-CD2 4.36Å
148Q90.6Very high92.4Very high118 Ų11866.9 Ų66.955%0.55134%0.335SS*.Hα-helixtrans-60.1-43.7175.8-72.1-1790.600111.6E29 D144 R145 W150 R155E29-Q148 PolarHBondContact OE1-NE2 2.83Å; D144-Q148 WeakPolarHBondContact O-CG 3.36Å; D144-Q148 PolarHBondContact O-N 3.04Å; R145-Q148 PolarHBondContact O-N 3.31Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 2.96Å; Q148-R155 PolarHBondContact O-NH2 3.44Å; Q148-R155 VanDerWaalsContact O-NH2 3.12Å
149M92.6Very high92.1Very high142 Ų14270.2 Ų70.270%0.736%0.359SS*.THydrogen-bonded Turntrans-80.3-1.7179.9-63.8-176.2-6300114R145 L147R145-M149 HydrophobicContact CB-CE 4.17Å; R145-M149 WeakPolarHBondContact O-CB 3.41Å; R145-M149 WeakPolarHBondContact O-CE 3.41Å; R145-M149 WeakPolarHBondContact O-CG 3.42Å; R145-M149 PolarHBondContact O-N 2.7Å; L147-M149 VanDerWaalsContact C-N 3.32Å; L147-M149 PolarHBondContact O-N 3.47Å
150W92.5Very high91.7Very high39 Ų3979 Ų7915%0.14840%0.397CS..SBendtrans-60130.1-176.3-160.8-88000111.1P55 V146 L147 Q148 K152 R155 L191P55-W150 HydrophobicContact CG-CH2 4.17Å; V146-W150 HydrophobicContact CG1-CE3 4.05Å; V146-W150 HydrophobicContact CG1-CZ3 4.1Å; V146-W150 PolarHBondContact O-N 2.88Å; V146-W150 VanDerWaalsContact O-N 3.08Å; L147-W150 VanDerWaalsContact O-CB 3.3Å; L147-W150 WeakPolarHBondContact O-CB 3.47Å; L147-W150 PolarHBondContact O-N 3.4Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 2.96Å; W150-K152 PolarHBondContact O-N 3.46Å; W150-R155 PolarHBondContact O-NE 2.95Å; W150-R155 VanDerWaalsContact O-NE 3.11Å; W150-R155 PolarHBondContact O-NH2 2.84Å; W150-L191 HydrophobicContact CD2-CD1 3.87Å; W150-L191 HydrophobicContact CE3-CD1 4.38Å; W150-L191 HydrophobicContact CG-CD1 4.1Å; W150-L191 HydrophobicContact CZ2-CD1 4.34Å
151P91.7Very high91.3Very high47 Ų4780.6 Ų80.631%0.30543%0.426SS..  trans-55.3138.5-177.5-22.831.9000111.6E153 E154 R155P151-E153 HydrophobicContact CB-CG 4.09Å; P151-E154 HydrophobicContact CB-CB 4.13Å; P151-E154 HydrophobicContact CB-CG 4.16Å; P151-E154 HydrophobicContact CG-CG 4.47Å; P151-E154 PolarHBondContact O-N 3.48Å; P151-R155 WeakPolarHBondContact O-CG 3.32Å
152K88.3Confident91.1Very high169 Ų16982.6 Ų82.674%0.73544%0.438SS*.SBendtrans-68.7-38.8-173.7-74.1-176178-178.80111.5W150 E154 R155W150-K152 PolarHBondContact O-N 3.46Å; K152-E154 PolarHBondContact O-N 2.99Å; K152-R155 WeakPolarHBondContact O-CB 3.38Å; K152-R155 PolarHBondContact O-N 2.83Å
153E89.1Confident90.8Very high156 Ų15682.9 Ų82.973%0.72945%0.448SS*.G310 helixtrans-57.8-29.617458.6-87.8-14900112.6P151 R155P151-E153 HydrophobicContact CB-CG 4.09Å; E153-R155 VanDerWaalsContact C-N 3.31Å
154E91.3Very high90.7Very high82 Ų8280 Ų8038%0.38344%0.439SS..G310 helixtrans-88.75.4177.4-73.5-163.9-136.700113.5P151 K152 S190P151-E154 HydrophobicContact CB-CB 4.13Å; P151-E154 HydrophobicContact CB-CG 4.16Å; P151-E154 HydrophobicContact CG-CG 4.47Å; P151-E154 PolarHBondContact O-N 3.48Å; K152-E154 PolarHBondContact O-N 2.99Å; E154-S190 WeakPolarHBondContact CB-OG 3.42Å; E154-S190 PolarHBondContact O-OG 3.39Å; E154-S190 PolarHBondContact OE2-OG 3.01Å
155R91.7Very high90.6Very high56 Ų5681.1 Ų81.121%0.21145%0.453CS..G310 helixtrans-95.22.4172.6-53.5-179.2-170.9-162.2-1.8112.4L147 Q148 W150 P151 K152 E153 Y177 L191L147-R155 PolarHBondContact O-NH2 3.24Å; Q148-R155 PolarHBondContact O-NH2 3.44Å; Q148-R155 VanDerWaalsContact O-NH2 3.12Å; W150-R155 PolarHBondContact O-NE 2.95Å; W150-R155 VanDerWaalsContact O-NE 3.11Å; W150-R155 PolarHBondContact O-NH2 2.84Å; P151-R155 WeakPolarHBondContact O-CG 3.32Å; K152-R155 WeakPolarHBondContact O-CB 3.38Å; K152-R155 PolarHBondContact O-N 2.83Å; E153-R155 VanDerWaalsContact C-N 3.31Å; R155-Y177 PolarHBondContact O-OH 2.77Å; R155-L191 HydrophobicContact CG-CD2 4.08Å
156G90.1Very high90.4Very high22 Ų2279.7 Ų79.723%0.22746%0.456CS..  trans76.8172.9-17800000113.5V158G156-V158 PolarHBondContact O-N 2.98Å
157S90.3Very high90.3Very high120 Ų12080.3 Ų80.384%0.83947%0.471SS*.SBendtrans-80.384.3-176.1-59.80000110.9
158V91.2Very high90.3Very high43 Ų4384.3 Ų84.326%0.26148%0.483SS..  trans-112.1152.4177.6-64.30000112G156 T162 Y177 A180 C181G156-V158 PolarHBondContact O-N 2.98Å; V158-T162 HydrophobicContact CB-CG2 4.28Å; V158-Y177 HydrophobicContact CG1-CD2 4.15Å; V158-Y177 HydrophobicContact CG1-CE2 3.99Å; V158-Y177 HydrophobicContact CG2-CE2 4.47Å; V158-A180 HydrophobicContact CG1-CB 3.98Å; V158-C181 HydrophobicContact CG1-CB 3.42Å; V158-C181 VanDerWaalsContact CG1-CB 3.42Å
159P88.7Confident90.3Very high89 Ų8981.3 Ų81.358%0.57847%0.474SS*.  trans-54.9146.6170.4-24.534.2000111.9G161 T162P159-G161 PolarHBondContact O-N 3.22Å; P159-T162 WeakPolarHBondContact O-CB 3.38Å; P159-T162 PolarHBondContact O-N 3.47Å; P159-T162 VanDerWaalsContact O-N 3.16Å; P159-T162 PolarHBondContact O-OG1 3.24Å
160E85.7Confident90.3Very high202 Ų20277.5 Ų77.594%0.94447%0.471SS*.THydrogen-bonded Turntrans-59.1139.6176.4-169.5171.6-165.400110.8T162E160-T162 VanDerWaalsContact C-N 3.31Å; E160-T162 PolarHBondContact O-N 2.98Å
161G84.9Confident90.3Very high78 Ų7877.1 Ų77.180%0.80447%0.472SS*.THydrogen-bonded Turntrans82.10.1-17600000115.2P159 G163P159-G161 PolarHBondContact O-N 3.22Å; G161-G163 PolarHBondContact O-N 3.2Å; G161-G163 VanDerWaalsContact O-N 3.08Å
162T88.8Confident90.5Very high45 Ų4579.7 Ų79.728%0.27649%0.488SS..  trans-63112.8174-56.90000110.6V158 P159 E160 Y177 A180V158-T162 HydrophobicContact CB-CG2 4.28Å; P159-T162 WeakPolarHBondContact O-CB 3.38Å; P159-T162 PolarHBondContact O-N 3.47Å; P159-T162 VanDerWaalsContact O-N 3.16Å; P159-T162 PolarHBondContact O-OG1 3.24Å; E160-T162 VanDerWaalsContact C-N 3.31Å; E160-T162 PolarHBondContact O-N 2.98Å; T162-Y177 HydrophobicContact CG2-CD2 3.96Å; T162-A180 HydrophobicContact CG2-CB 4.49Å
163G90.3Very high90.8Very high39 Ų3975 Ų7540%0.40247%0.474SS..  trans-73.8139.6176.600000112.2G161 G165 V173G161-G163 PolarHBondContact O-N 3.2Å; G161-G163 VanDerWaalsContact O-N 3.08Å; G163-G165 VanDerWaalsContact C-N 3.26Å; G163-G165 PolarHBondContact O-N 2.85Å; G163-V173 WeakPolarHBondContact O-CG1 3.41Å
164L92Very high91.2Very high33 Ų3368 Ų6817%0.17344%0.442CS..  trans-70.3-24.4174.1-64.2175.5000112.7L147 T174 Y177 L191L147-L164 HydrophobicContact CD1-CD1 4.09Å; L147-L164 HydrophobicContact CG-CD1 4.28Å; L164-T174 WeakPolarHBondContact O-CA 2.78Å; L164-T174 WeakPolarHBondContact O-CB 3.49Å; L164-T174 PolarHBondContact O-OG1 3.4Å; L164-Y177 HydrophobicContact CD2-CD1 4.07Å; L164-Y177 HydrophobicContact CD2-CD2 3.7Å; L164-Y177 HydrophobicContact CD2-CE1 3.73Å; L164-Y177 HydrophobicContact CD2-CE2 3.32Å; L164-Y177 HydrophobicContact CD2-CG 4.04Å; L164-L191 HydrophobicContact CD1-CD2 4.2Å; L164-L191 HydrophobicContact CD2-CD2 3.91Å
165G92Very high91.3Very high34 Ų3468.1 Ų68.135%0.35144%0.441SS..THydrogen-bonded Turntrans69.2-157.9-167.500000112G163 G167 D171G163-G165 VanDerWaalsContact C-N 3.26Å; G163-G165 PolarHBondContact O-N 2.85Å; G165-G167 VanDerWaalsContact C-N 3.31Å; G165-D171 WeakPolarHBondContact CA-OD2 3.39Å
166S90.4Very high91.4Very high57 Ų5768.7 Ų68.740%0.39945%0.454SS..THydrogen-bonded Turntrans-75.4-16.9179.964.40000113.9Y168 D171 T174S166-Y168 VanDerWaalsContact C-N 3.29Å; S166-Y168 PolarHBondContact OG-N 2.89Å; S166-D171 VanDerWaalsContact CB-OD2 3.31Å; S166-D171 WeakPolarHBondContact CB-OD2 3.47Å; S166-D171 PolarHBondContact N-OD2 3.18Å; S166-D171 WeakPolarHBondContact OG-CB 3.46Å; S166-D171 PolarHBondContact OG-OD2 3.35Å; S166-T174 PolarHBondContact N-OG1 3.31Å
167G91.7Very high91.7Very high55 Ų5568.1 Ų68.157%0.56745%0.445SS*.SBendtrans83-0.4-175.300000114.2G165 T174G165-G167 VanDerWaalsContact C-N 3.31Å; G167-T174 WeakPolarHBondContact CA-OG1 3.41Å; G167-T174 PolarHBondContact N-OG1 3Å
168Y92.1Very high92Very high145 Ų14563.2 Ų63.257%0.56941%0.409SS*.SBendtrans-88.2145.3177.2-70.4-85.8000111.9S166 G170 D171S166-Y168 VanDerWaalsContact C-N 3.29Å; S166-Y168 PolarHBondContact OG-N 2.89Å; Y168-G170 PolarHBondContact O-N 2.94Å; Y168-D171 WeakPolarHBondContact O-CB 3.39Å; Y168-D171 PolarHBondContact O-N 3.16Å
169P90.7Very high92.1Very high54 Ų5468.4 Ų68.435%0.35142%0.424SS..THydrogen-bonded Turntrans-59-19.9179.5-27.735.8000115.7K175P169-K175 WeakPolarHBondContact O-CE 3.45Å
170G91.7Very high92.4Very high62 Ų6266 Ų6664%0.63941%0.412SS*.THydrogen-bonded Turntrans-80.7-18.9178.700000114.2Y168 P172Y168-G170 PolarHBondContact O-N 2.94Å; G170-P172 WeakPolarHBondContact O-CD 3.3Å
171D94.2Very high92.9Very high32 Ų3256.8 Ų56.817%0.17137%0.37CS..  trans-79.4122.4-171.8-179.1-2.5000112.1G165 S166 Y168 V173 T174 K175G165-D171 WeakPolarHBondContact CA-OD2 3.39Å; S166-D171 VanDerWaalsContact CB-OD2 3.31Å; S166-D171 WeakPolarHBondContact CB-OD2 3.47Å; S166-D171 PolarHBondContact N-OD2 3.18Å; S166-D171 WeakPolarHBondContact OG-CB 3.46Å; S166-D171 PolarHBondContact OG-OD2 3.35Å; Y168-D171 WeakPolarHBondContact O-CB 3.39Å; Y168-D171 PolarHBondContact O-N 3.16Å; D171-V173 VanDerWaalsContact C-N 3.27Å; D171-V173 PolarHBondContact O-N 3.21Å; D171-V173 PolarHBondContact OD1-N 3.33Å; D171-T174 PolarHBondContact O-N 2.96Å; D171-T174 PolarHBondContact OD2-OG1 3.04Å; D171-K175 WeakPolarHBondContact O-CG 3.35Å; D171-K175 PolarHBondContact O-N 3.29Å
172P95Very high93.3Very high100 Ų10054.5 Ų54.565%0.64934%0.338SS*.Hα-helixtrans-56.2-37.4176.3-24.834.7000113.9G170 K175 S176G170-P172 WeakPolarHBondContact O-CD 3.3Å; P172-K175 PolarHBondContact O-N 3.49Å; P172-S176 PolarHBondContact O-N 3.18Å
173V95.6Very high93.6Very high70 Ų7055.5 Ų55.542%0.42434%0.342SS..Hα-helixtrans-67.1-45.9-179-1780000109.9G163 D171 K175 S176 Y177G163-V173 WeakPolarHBondContact O-CG1 3.41Å; D171-V173 VanDerWaalsContact C-N 3.27Å; D171-V173 PolarHBondContact O-N 3.21Å; D171-V173 PolarHBondContact OD1-N 3.33Å; V173-K175 PolarHBondContact O-N 3.06Å; V173-S176 WeakPolarHBondContact O-CB 3.47Å; V173-S176 PolarHBondContact O-N 3.24Å; V173-S176 VanDerWaalsContact O-N 3.15Å; V173-Y177 PolarHBondContact O-N 3.04Å
174T95.7Very high93.8Very high11 Ų1156.8 Ų56.87%0.06734%0.343CS..Hα-helixtrans-62.2-40.9175.6-61.20000112.1L164 S166 G167 D171 S176 Y177 L178L164-T174 WeakPolarHBondContact O-CA 2.78Å; L164-T174 WeakPolarHBondContact O-CB 3.49Å; L164-T174 PolarHBondContact O-OG1 3.4Å; S166-T174 PolarHBondContact N-OG1 3.31Å; G167-T174 WeakPolarHBondContact CA-OG1 3.41Å; G167-T174 PolarHBondContact N-OG1 3Å; D171-T174 PolarHBondContact O-N 2.96Å; D171-T174 PolarHBondContact OD2-OG1 3.04Å; T174-S176 VanDerWaalsContact C-N 3.31Å; T174-S176 PolarHBondContact O-N 3.45Å; T174-Y177 PolarHBondContact O-N 2.85Å; T174-L178 HydrophobicContact CG2-CD1 4.49Å; T174-L178 WeakPolarHBondContact O-CG 3.49Å; T174-L178 PolarHBondContact O-N 3.44Å
175K94.4Very high93.9Very high83 Ų8359.9 Ų59.936%0.36136%0.363SS..Hα-helixtrans-61.9-39.9173.8-70.8-178.4-172.7179.50112.3P169 D171 P172 V173 L178 R179P169-K175 WeakPolarHBondContact O-CE 3.45Å; D171-K175 WeakPolarHBondContact O-CG 3.35Å; D171-K175 PolarHBondContact O-N 3.29Å; P172-K175 PolarHBondContact O-N 3.49Å; V173-K175 PolarHBondContact O-N 3.06Å; K175-L178 PolarHBondContact O-N 2.85Å; K175-R179 WeakPolarHBondContact O-CG 3.31Å; K175-R179 PolarHBondContact O-N 3.46Å
176S94.7Very high94.1Very high68 Ų6866.7 Ų66.748%0.47638%0.383SS..Hα-helixtrans-63.1-45.3176.4-167.10000111.2P172 V173 T174 L178 R179 A180P172-S176 PolarHBondContact O-N 3.18Å; V173-S176 WeakPolarHBondContact O-CB 3.47Å; V173-S176 PolarHBondContact O-N 3.24Å; V173-S176 VanDerWaalsContact O-N 3.15Å; T174-S176 VanDerWaalsContact C-N 3.31Å; T174-S176 PolarHBondContact O-N 3.45Å; S176-L178 PolarHBondContact O-N 3.33Å; S176-R179 PolarHBondContact O-N 3.47Å; S176-A180 PolarHBondContact O-N 3.28Å
177Y96.2Very high94.3Very high10 Ų1064.3 Ų64.34%0.03937%0.368CS..Hα-helixtrans-58.5-47.1175.2168.1-101000112R155 V158 T162 L164 V173 T174 R179 A180 C181 V192R155-Y177 PolarHBondContact O-OH 2.77Å; V158-Y177 HydrophobicContact CG1-CD2 4.15Å; V158-Y177 HydrophobicContact CG1-CE2 3.99Å; V158-Y177 HydrophobicContact CG2-CE2 4.47Å; T162-Y177 HydrophobicContact CG2-CD2 3.96Å; L164-Y177 HydrophobicContact CD2-CD1 4.07Å; L164-Y177 HydrophobicContact CD2-CD2 3.7Å; L164-Y177 HydrophobicContact CD2-CE1 3.73Å; L164-Y177 HydrophobicContact CD2-CE2 3.32Å; L164-Y177 HydrophobicContact CD2-CG 4.04Å; V173-Y177 PolarHBondContact O-N 3.04Å; T174-Y177 PolarHBondContact O-N 2.85Å; Y177-R179 VanDerWaalsContact C-N 3.3Å; Y177-R179 PolarHBondContact O-N 3.13Å; Y177-A180 PolarHBondContact O-N 2.8Å; Y177-C181 HydrophobicContact CE2-CB 4.16Å; Y177-C181 PolarHBondContact O-N 2.83Å; Y177-C181 PolarHBondContact O-SG 2.74Å; Y177-C181 VanDerWaalsContact O-SG 3.33Å; Y177-V192 HydrophobicContact CE1-CG2 4.19Å
178L96Very high94.5Very high17 Ų1762.9 Ų62.99%0.08935%0.346CS..Hα-helixtrans-57.6-42178.3-71.1174.2000112T174 K175 S176 A180 M182 F188 V192 T198 L202T174-L178 HydrophobicContact CG2-CD1 4.49Å; T174-L178 WeakPolarHBondContact O-CG 3.49Å; T174-L178 PolarHBondContact O-N 3.44Å; K175-L178 PolarHBondContact O-N 2.85Å; S176-L178 PolarHBondContact O-N 3.33Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-M182 WeakPolarHBondContact O-CB 3.44Å; L178-M182 PolarHBondContact O-N 3.23Å; L178-F188 HydrophobicContact CB-CE1 4.26Å; L178-F188 HydrophobicContact CD2-CD1 4.37Å; L178-F188 HydrophobicContact CD2-CE1 4.15Å; L178-F188 WeakPolarHBondContact O-CE1 3.44Å; L178-V192 HydrophobicContact CD2-CB 4.32Å; L178-V192 HydrophobicContact CD2-CG1 3.59Å; L178-V192 HydrophobicContact CD2-CG2 3.69Å; L178-T198 HydrophobicContact CD1-CG2 4.2Å; L178-L202 HydrophobicContact CB-CD2 4.21Å
179R94Very high94.6Very high152 Ų15256.9 Ų56.957%0.57433%0.325SS*.Hα-helixtrans-66.2-36.3175.3-66.5-170.5-164.1104.7-3.6112.9K175 S176 Y177 L202K175-R179 WeakPolarHBondContact O-CG 3.31Å; K175-R179 PolarHBondContact O-N 3.46Å; S176-R179 PolarHBondContact O-N 3.47Å; Y177-R179 VanDerWaalsContact C-N 3.3Å; Y177-R179 PolarHBondContact O-N 3.13Å; R179-L202 HydrophobicContact CG-CD1 3.94Å; R179-L202 HydrophobicContact CG-CD2 4.05Å
180A94.7Very high94.8Very high40 Ų4055.9 Ų55.933%0.33132%0.32SS..Hα-helixtrans-73.7-35.1-177.900000112.7V158 T162 S176 Y177 L178V158-A180 HydrophobicContact CG1-CB 3.98Å; T162-A180 HydrophobicContact CG2-CB 4.49Å; S176-A180 PolarHBondContact O-N 3.28Å; Y177-A180 PolarHBondContact O-N 2.8Å; L178-A180 VanDerWaalsContact C-N 3.34Å
181C94.9Very high95Very high8 Ų854.1 Ų54.15%0.05430%0.295CS..Hα-helixtrans-91.2-6.8-175.472.50000114.3V158 Y177 D183 P189V158-C181 HydrophobicContact CG1-CB 3.42Å; V158-C181 VanDerWaalsContact CG1-CB 3.42Å; Y177-C181 HydrophobicContact CE2-CB 4.16Å; Y177-C181 PolarHBondContact O-N 2.83Å; Y177-C181 PolarHBondContact O-SG 2.74Å; Y177-C181 VanDerWaalsContact O-SG 3.33Å; C181-D183 PolarHBondContact O-N 3.24Å; C181-P189 HydrophobicContact CB-CG 4.19Å
182M94.7Very high95.1Very high29 Ų2953.1 Ų53.114%0.14329%0.29CS..  trans-76.9121.8-177.2-170.3-165.674.700111.3L178 G187 F188 L202 L203 H206L178-M182 WeakPolarHBondContact O-CB 3.44Å; L178-M182 PolarHBondContact O-N 3.23Å; M182-G187 CarbonylContact C-O 3.57Å; M182-G187 VanDerWaalsContact CA-O 3.31Å; M182-G187 WeakPolarHBondContact CA-O 3.32Å; M182-F188 HydrophobicContact CB-CD1 4.01Å; M182-F188 HydrophobicContact CB-CE1 3.69Å; M182-F188 HydrophobicContact CB-CZ 4.41Å; M182-F188 HydrophobicContact CG-CD1 4.17Å; M182-F188 HydrophobicContact CG-CE1 3.81Å; M182-F188 HydrophobicContact CG-CZ 4.08Å; M182-F188 HydrophobicContact SD-CE1 4.44Å; M182-F188 HydrophobicContact SD-CZ 4.26Å; M182-L202 HydrophobicContact SD-CB 4.44Å; M182-L202 HydrophobicContact SD-CD2 3.9Å; M182-L202 HydrophobicContact SD-CG 3.78Å; M182-L203 HydrophobicContact CG-CD2 3.91Å; M182-L203 HydrophobicContact SD-CD2 3.92Å; M182-H206 HydrophobicContact CE-CB 3.3Å; M182-H206 HydrophobicContact SD-CB 4.32Å
183D94.8Very high95.1Very high67 Ų6752 Ų5236%0.35827%0.273SS..BIsolated β-bridgetrans-87.4132.8167.1-174.6-85.5000110.1C181 V185 F186 G187C181-D183 PolarHBondContact O-N 3.24Å; D183-V185 PolarHBondContact O-N 3.29Å; D183-V185 WeakPolarHBondContact OD1-CA 3.47Å; D183-V185 WeakPolarHBondContact OD1-CB 3.37Å; D183-V185 PolarHBondContact OD1-N 3.32Å; D183-F186 HydrophobicContact CB-CB 4.18Å; D183-F186 WeakPolarHBondContact OD1-CD2 3.41Å; D183-F186 PolarHBondContact OD1-N 3.2Å; D183-G187 PolarHBondContact N-O 3.08Å; D183-G187 WeakPolarHBondContact O-CA 3.28Å; D183-G187 PolarHBondContact O-N 3.33Å
184P94.3Very high95.1Very high66 Ų6649.9 Ų49.943%0.42926%0.261SS..THydrogen-bonded Turntrans-61.8-27.8-179.3-25.434.8000114.8G207 V208P184-G207 CarbonylContact O-C 3.57Å; P184-G207 WeakPolarHBondContact O-CA 3.18Å; P184-V208 HydrophobicContact CB-CG2 4.4Å; P184-V208 PolarHBondContact O-N 2.96Å
185V95Very high95Very high97 Ų9750.2 Ų50.259%0.58826%0.264SS*.THydrogen-bonded Turntrans-96.2-47.8-177.5179.50000111D183 V208D183-V185 PolarHBondContact O-N 3.29Å; D183-V185 WeakPolarHBondContact OD1-CA 3.47Å; D183-V185 WeakPolarHBondContact OD1-CB 3.37Å; D183-V185 PolarHBondContact OD1-N 3.32Å; V185-V208 HydrophobicContact CG2-CG2 4.18Å
186F94.5Very high95Very high177 Ų17749.2 Ų49.278%0.77626%0.258SS*.THydrogen-bonded Turntrans-91.6-14.3-174.1-61.8-69.3000113.8D183 F188D183-F186 HydrophobicContact CB-CB 4.18Å; D183-F186 WeakPolarHBondContact OD1-CD2 3.41Å; D183-F186 PolarHBondContact OD1-N 3.2Å; F186-F188 PolarHBondContact O-N 3.32Å
187G95.1Very high95Very high7 Ų750.3 Ų50.37%0.07227%0.266CS..BIsolated β-bridgetrans78.9-113.6-178.400000112.6M182 D183M182-G187 CarbonylContact C-O 3.57Å; M182-G187 VanDerWaalsContact CA-O 3.31Å; M182-G187 WeakPolarHBondContact CA-O 3.32Å; D183-G187 PolarHBondContact N-O 3.08Å; D183-G187 WeakPolarHBondContact O-CA 3.28Å; D183-G187 PolarHBondContact O-N 3.33Å
188F95.7Very high94.9Very high25 Ų2552 Ų5211%0.1128%0.277CS..  trans-115.7155.2-170.9-63-75.8000113.6L178 M182 F186 V192 S199 L202 L203L178-F188 HydrophobicContact CB-CE1 4.26Å; L178-F188 HydrophobicContact CD2-CD1 4.37Å; L178-F188 HydrophobicContact CD2-CE1 4.15Å; L178-F188 WeakPolarHBondContact O-CE1 3.44Å; M182-F188 HydrophobicContact CB-CD1 4.01Å; M182-F188 HydrophobicContact CB-CE1 3.69Å; M182-F188 HydrophobicContact CB-CZ 4.41Å; M182-F188 HydrophobicContact CG-CD1 4.17Å; M182-F188 HydrophobicContact CG-CE1 3.81Å; M182-F188 HydrophobicContact CG-CZ 4.08Å; M182-F188 HydrophobicContact SD-CE1 4.44Å; M182-F188 HydrophobicContact SD-CZ 4.26Å; F186-F188 PolarHBondContact O-N 3.32Å; F188-V192 HydrophobicContact CB-CB 3.6Å; F188-V192 HydrophobicContact CB-CG1 3.76Å; F188-V192 HydrophobicContact CB-CG2 4.03Å; F188-V192 HydrophobicContact CD1-CB 4.39Å; F188-V192 HydrophobicContact CD1-CG1 3.98Å; F188-V192 HydrophobicContact CD1-CG2 4.24Å; F188-V192 HydrophobicContact CD2-CG1 3.99Å; F188-V192 HydrophobicContact CG-CB 4.05Å; F188-V192 HydrophobicContact CG-CG1 3.66Å; F188-V192 HydrophobicContact CG-CG2 4.37Å; F188-S199 WeakPolarHBondContact CE2-O 3.37Å; F188-L202 HydrophobicContact CE1-CD2 3.93Å; F188-L202 HydrophobicContact CZ-CB 4.16Å; F188-L202 HydrophobicContact CZ-CD2 3.8Å; F188-L202 HydrophobicContact CZ-CG 4.46Å; F188-L203 HydrophobicContact CD2-CD1 3.87Å; F188-L203 HydrophobicContact CD2-CD2 4.19Å; F188-L203 HydrophobicContact CD2-CG 4.08Å; F188-L203 HydrophobicContact CE2-CD1 3.64Å; F188-L203 HydrophobicContact CE2-CD2 3.91Å; F188-L203 HydrophobicContact CE2-CG 3.5Å; F188-L203 VanDerWaalsContact CE2-CG 3.5Å; F188-L203 HydrophobicContact CZ-CD2 4.48Å; F188-L203 HydrophobicContact CZ-CG 4.24Å
189P95.7Very high94.8Very high20 Ų2051.4 Ų51.413%0.1328%0.275CS..  trans-68165.7172.731.1-38.6000112.7C181 L191 V192C181-P189 HydrophobicContact CB-CG 4.19Å; P189-L191 PolarHBondContact O-N 2.84Å; P189-V192 HydrophobicContact CG-CG2 4.09Å; P189-V192 PolarHBondContact O-N 3.49Å
190S94.5Very high94.8Very high33 Ų3346 Ų4623%0.23126%0.26CS..THydrogen-bonded Turntrans-55.7-23.4-176.463.10000114.6P55 V56 E154 V192P55-S190 WeakPolarHBondContact CB-O 3.22Å; V56-S190 WeakPolarHBondContact CG2-O 3.34Å; E154-S190 WeakPolarHBondContact CB-OG 3.42Å; E154-S190 PolarHBondContact O-OG 3.39Å; E154-S190 PolarHBondContact OE2-OG 3.01Å; S190-V192 VanDerWaalsContact C-N 3.32Å
191L95.5Very high94.8Very high24 Ų2446.8 Ų46.813%0.12626%0.263CS..THydrogen-bonded Turntrans-67.6-30.2176-178.455.9000113.2P55 L147 W150 R155 L164 P189P55-L191 WeakPolarHBondContact CB-O 3.49Å; P55-L191 WeakPolarHBondContact CG-O 3.34Å; L147-L191 HydrophobicContact CD1-CD1 3.79Å; L147-L191 HydrophobicContact CD1-CD2 4.36Å; W150-L191 HydrophobicContact CD2-CD1 3.87Å; W150-L191 HydrophobicContact CE3-CD1 4.38Å; W150-L191 HydrophobicContact CG-CD1 4.1Å; W150-L191 HydrophobicContact CZ2-CD1 4.34Å; R155-L191 HydrophobicContact CG-CD2 4.08Å; L164-L191 HydrophobicContact CD1-CD2 4.2Å; L164-L191 HydrophobicContact CD2-CD2 3.91Å; P189-L191 PolarHBondContact O-N 2.84Å
192V95.8Very high94.7Very high12 Ų1247.3 Ų47.37%0.07327%0.265CS..SBendtrans-88.4138.6-173178.10000110.3Y177 L178 F188 P189 S190 S194Y177-V192 HydrophobicContact CE1-CG2 4.19Å; L178-V192 HydrophobicContact CD2-CB 4.32Å; L178-V192 HydrophobicContact CD2-CG1 3.59Å; L178-V192 HydrophobicContact CD2-CG2 3.69Å; F188-V192 HydrophobicContact CB-CB 3.6Å; F188-V192 HydrophobicContact CB-CG1 3.76Å; F188-V192 HydrophobicContact CB-CG2 4.03Å; F188-V192 HydrophobicContact CD1-CB 4.39Å; F188-V192 HydrophobicContact CD1-CG1 3.98Å; F188-V192 HydrophobicContact CD1-CG2 4.24Å; F188-V192 HydrophobicContact CD2-CG1 3.99Å; F188-V192 HydrophobicContact CG-CB 4.05Å; F188-V192 HydrophobicContact CG-CG1 3.66Å; F188-V192 HydrophobicContact CG-CG2 4.37Å; P189-V192 HydrophobicContact CG-CG2 4.09Å; P189-V192 PolarHBondContact O-N 3.49Å; S190-V192 VanDerWaalsContact C-N 3.32Å; V192-S194 PolarHBondContact O-N 2.86Å
193R96.2Very high94.7Very high75 Ų7548.1 Ų48.128%0.28327%0.27SS..  trans-86.199.4171.5-58.8179.9-163.4163.19.1109.3P55 T59 S195 W196 S199P55-R193 HydrophobicContact CB-CG 3.75Å; T59-R193 WeakPolarHBondContact OG1-CA 3.43Å; R193-S195 PolarHBondContact O-N 3.07Å; R193-W196 HydrophobicContact CB-CD2 3.85Å; R193-W196 HydrophobicContact CB-CE3 3.43Å; R193-W196 VanDerWaalsContact CB-CE3 3.43Å; R193-W196 HydrophobicContact CB-CG 4.39Å; R193-W196 HydrophobicContact CB-CZ3 3.93Å; R193-W196 HydrophobicContact CG-CE3 4.24Å; R193-W196 HydrophobicContact CG-CZ3 4.32Å; R193-W196 VanDerWaalsContact NH1-CZ2 3.34Å; R193-W196 PolarHBondContact O-N 3.25Å; R193-S199 WeakPolarHBondContact O-CB 3.42Å; R193-S199 PolarHBondContact O-OG 3.11Å
194S94.1Very high94.7Very high26 Ų2651.4 Ų51.418%0.18229%0.288CS..THydrogen-bonded Turntrans-69.2-18.9-178.4-52.80000112.8T59 V192 W196 S200T59-S194 PolarHBondContact OG1-N 3.16Å; V192-S194 PolarHBondContact O-N 2.86Å; S194-W196 PolarHBondContact O-N 3.25Å; S194-S200 PolarHBondContact O-OG 3.18Å; S194-S200 VanDerWaalsContact O-OG 3.05Å
195S94.1Very high94.7Very high18 Ų1854.8 Ų54.813%0.12630%0.298CS..THydrogen-bonded Turntrans-73.2-6.7174.957.10000114.5R193R193-S195 PolarHBondContact O-N 3.07Å
196W94.9Very high94.7Very high62 Ų6255.3 Ų55.324%0.23529%0.294CS..SBendtrans-81.9138.4176.9-91.7-127.5000109.5I58 M62 L70 R193 S194 T198 S199 S200I58-W196 HydrophobicContact CG2-CH2 3.53Å; I58-W196 HydrophobicContact CG2-CZ3 3.35Å; M62-W196 HydrophobicContact CE-CZ3 4.23Å; M62-W196 HydrophobicContact SD-CE3 4.48Å; M62-W196 HydrophobicContact SD-CH2 3.99Å; M62-W196 HydrophobicContact SD-CZ3 3.53Å; M62-W196 VanDerWaalsContact SD-CZ3 3.53Å; L70-W196 HydrophobicContact CD1-CH2 3.94Å; L70-W196 HydrophobicContact CD2-CH2 3.8Å; L70-W196 HydrophobicContact CD2-CZ2 3.88Å; L70-W196 HydrophobicContact CG-CH2 4.46Å; R193-W196 HydrophobicContact CB-CD2 3.85Å; R193-W196 HydrophobicContact CB-CE3 3.43Å; R193-W196 VanDerWaalsContact CB-CE3 3.43Å; R193-W196 HydrophobicContact CB-CG 4.39Å; R193-W196 HydrophobicContact CB-CZ3 3.93Å; R193-W196 HydrophobicContact CG-CE3 4.24Å; R193-W196 HydrophobicContact CG-CZ3 4.32Å; R193-W196 VanDerWaalsContact NH1-CZ2 3.34Å; R193-W196 PolarHBondContact O-N 3.25Å; S194-W196 PolarHBondContact O-N 3.25Å; W196-T198 PolarHBondContact O-N 2.98Å; W196-T198 VanDerWaalsContact O-N 3.11Å; W196-S199 WeakPolarHBondContact O-CA 3.3Å; W196-S199 VanDerWaalsContact O-CB 3.32Å; W196-S199 WeakPolarHBondContact O-CB 3.16Å; W196-S199 PolarHBondContact O-N 3.43Å; W196-S200 PolarHBondContact O-N 3Å; W196-S200 PolarHBondContact O-OG 3.12Å
197S93.9Very high94.6Very high91 Ų9148 Ų4864%0.63627%0.268SS*.Hα-helixtrans-55-35.6-177.656.30000113.7S199 S200 S201S197-S199 VanDerWaalsContact C-N 3.31Å; S197-S199 PolarHBondContact O-N 3.44Å; S197-S200 PolarHBondContact O-N 2.87Å; S197-S201 VanDerWaalsContact O-CB 3.3Å; S197-S201 WeakPolarHBondContact O-CB 3.45Å; S197-S201 PolarHBondContact O-N 3.4Å; S197-S201 PolarHBondContact O-OG 3.43Å
198T94.4Very high94.6Very high45 Ų4551.9 Ų51.928%0.27629%0.29SS..Hα-helixtrans-62.2-38.5175.9-51.30000112.5L178 W196 L202L178-T198 HydrophobicContact CD1-CG2 4.2Å; W196-T198 PolarHBondContact O-N 2.98Å; W196-T198 VanDerWaalsContact O-N 3.11Å; T198-L202 PolarHBondContact O-N 3.24Å
199S94.5Very high94.5Very high6 Ų656.5 Ų56.54%0.04233%0.325CS..Hα-helixtrans-71.4-50.4176.3-49.40000110F188 R193 W196 S197 S201 L202 L203F188-S199 WeakPolarHBondContact CE2-O 3.37Å; R193-S199 WeakPolarHBondContact O-CB 3.42Å; R193-S199 PolarHBondContact O-OG 3.11Å; W196-S199 WeakPolarHBondContact O-CA 3.3Å; W196-S199 VanDerWaalsContact O-CB 3.32Å; W196-S199 WeakPolarHBondContact O-CB 3.16Å; W196-S199 PolarHBondContact O-N 3.43Å; S197-S199 VanDerWaalsContact C-N 3.31Å; S197-S199 PolarHBondContact O-N 3.44Å; S199-S201 PolarHBondContact O-N 2.89Å; S199-L202 PolarHBondContact O-N 2.78Å; S199-L202 VanDerWaalsContact O-N 3.12Å; S199-L203 PolarHBondContact O-N 3.16Å; S199-L203 VanDerWaalsContact O-N 3.07Å
200S92.8Very high94.3Very high38 Ų3859.4 Ų59.427%0.26634%0.343SS..Hα-helixtrans-59.6-46.3-179.2-42.50000111.9S194 W196 S197 L202 L203 D204S194-S200 PolarHBondContact O-OG 3.18Å; S194-S200 VanDerWaalsContact O-OG 3.05Å; W196-S200 PolarHBondContact O-N 3Å; W196-S200 PolarHBondContact O-OG 3.12Å; S197-S200 PolarHBondContact O-N 2.87Å; S200-L202 PolarHBondContact O-N 3.05Å; S200-L203 PolarHBondContact O-N 3.33Å; S200-L203 VanDerWaalsContact O-N 3.16Å; S200-D204 VanDerWaalsContact O-CG 3.23Å; S200-D204 PolarHBondContact O-N 2.78Å
201S94.4Very high94.2Very high57 Ų5767.3 Ų67.340%0.39937%0.368SS..Hα-helixtrans-62.7-29.6177.4-63.70000113.7S197 S199 Q205S197-S201 VanDerWaalsContact O-CB 3.3Å; S197-S201 WeakPolarHBondContact O-CB 3.45Å; S197-S201 PolarHBondContact O-N 3.4Å; S197-S201 PolarHBondContact O-OG 3.43Å; S199-S201 PolarHBondContact O-N 2.89Å; S201-Q205 WeakPolarHBondContact O-CG 3.21Å; S201-Q205 PolarHBondContact O-N 3.48Å
202L94.6Very high94Very high18 Ų1874.4 Ų74.49%0.09439%0.393CS..Hα-helixtrans-74.3-40.1176.6-167.173.2000111.2L178 R179 M182 F188 T198 S199 S200 Q205 H206L178-L202 HydrophobicContact CB-CD2 4.21Å; R179-L202 HydrophobicContact CG-CD1 3.94Å; R179-L202 HydrophobicContact CG-CD2 4.05Å; M182-L202 HydrophobicContact SD-CB 4.44Å; M182-L202 HydrophobicContact SD-CD2 3.9Å; M182-L202 HydrophobicContact SD-CG 3.78Å; F188-L202 HydrophobicContact CE1-CD2 3.93Å; F188-L202 HydrophobicContact CZ-CB 4.16Å; F188-L202 HydrophobicContact CZ-CD2 3.8Å; F188-L202 HydrophobicContact CZ-CG 4.46Å; T198-L202 PolarHBondContact O-N 3.24Å; S199-L202 PolarHBondContact O-N 2.78Å; S199-L202 VanDerWaalsContact O-N 3.12Å; S200-L202 PolarHBondContact O-N 3.05Å; L202-Q205 PolarHBondContact O-N 3.06Å; L202-H206 PolarHBondContact O-N 3.33Å
203L94.6Very high93.7Very high46 Ų4682 Ų8224%0.24143%0.427CS..Hα-helixtrans-62.6-42.1173.2-69.1168.9000111.6M182 F188 S199 S200 Q205 H206 G207M182-L203 HydrophobicContact CG-CD2 3.91Å; M182-L203 HydrophobicContact SD-CD2 3.92Å; F188-L203 HydrophobicContact CD2-CD1 3.87Å; F188-L203 HydrophobicContact CD2-CD2 4.19Å; F188-L203 HydrophobicContact CD2-CG 4.08Å; F188-L203 HydrophobicContact CE2-CD1 3.64Å; F188-L203 HydrophobicContact CE2-CD2 3.91Å; F188-L203 HydrophobicContact CE2-CG 3.5Å; F188-L203 VanDerWaalsContact CE2-CG 3.5Å; F188-L203 HydrophobicContact CZ-CD2 4.48Å; F188-L203 HydrophobicContact CZ-CG 4.24Å; S199-L203 PolarHBondContact O-N 3.16Å; S199-L203 VanDerWaalsContact O-N 3.07Å; S200-L203 PolarHBondContact O-N 3.33Å; S200-L203 VanDerWaalsContact O-N 3.16Å; L203-Q205 PolarHBondContact O-N 3.27Å; L203-H206 PolarHBondContact O-N 3.27Å; L203-G207 WeakPolarHBondContact O-CA 3.21Å; L203-G207 PolarHBondContact O-N 2.92Å
204D93.2Very high93.4Very high136 Ų13681.5 Ų81.573%0.72743%0.43SS*.Hα-helixtrans-62.2-30.8177.6-64.9-23.8000112.5S200S200-D204 VanDerWaalsContact O-CG 3.23Å; S200-D204 PolarHBondContact O-N 2.78Å
205Q94.5Very high92.9Very high138 Ų13883.6 Ų83.665%0.64544%0.439SS*.Hα-helixtrans-86.3-33-176.8-74.3173.514.600113.8S201 L202 L203S201-Q205 WeakPolarHBondContact O-CG 3.21Å; S201-Q205 PolarHBondContact O-N 3.48Å; L202-Q205 PolarHBondContact O-N 3.06Å; L203-Q205 PolarHBondContact O-N 3.27Å
206H95Very high92.2Very high107 Ų10788.4 Ų88.450%0.49546%0.46SS..Hα-helixtrans-131.6-13.2-167-62.2-58.9000114.2M182 L202 L203M182-H206 HydrophobicContact CE-CB 3.3Å; M182-H206 HydrophobicContact SD-CB 4.32Å; L202-H206 PolarHBondContact O-N 3.33Å; L203-H206 PolarHBondContact O-N 3.27Å
207G93.7Very high91.3Very high23 Ų2388 Ų8824%0.23746%0.464CS..SBendtrans-81.5164.9175.100000112.3P184 L203P184-G207 CarbonylContact O-C 3.57Å; P184-G207 WeakPolarHBondContact O-CA 3.18Å; L203-G207 WeakPolarHBondContact O-CA 3.21Å; L203-G207 PolarHBondContact O-N 2.92Å
208V95.4Very high90.2Very high90 Ų9090.6 Ų90.655%0.54547%0.466SS..PPolyproline II helixtrans-70133.3167.1177.60000108.1P184 V185 V210P184-V208 HydrophobicContact CB-CG2 4.4Å; P184-V208 PolarHBondContact O-N 2.96Å; V185-V208 HydrophobicContact CG2-CG2 4.18Å; V208-V210 PolarHBondContact O-N 3.18Å
209S93.1Very high89.2Confident121 Ų12195 Ų9585%0.84648%0.484SS*.PPolyproline II helixtrans-62.3120.3177.9-171.90000110.3
210V92.1Very high88.5Confident81 Ų8199.3 Ų99.349%0.49150%0.503SS..  trans-107.7143.1173.3-178.60000108.6V208 W212V208-V210 PolarHBondContact O-N 3.18Å; V210-W212 HydrophobicContact CG1-CD2 4.33Å; V210-W212 HydrophobicContact CG1-CZ2 3.93Å
211R91.2Very high87.7Confident200 Ų20099.5 Ų99.576%0.75550%0.503SS*.  trans-122.6125.3172.1-175.9-179.9177.7-179.40.1109.5D215R211-D215 WeakPolarHBondContact CA-OD2 3.38Å
212W91.8Very high86.9Confident173 Ų173100.4 Ų100.466%0.65550%0.503SS*.  trans-96.8161176.4-60.599.7000111.7V210 D214 D215V210-W212 HydrophobicContact CG1-CD2 4.33Å; V210-W212 HydrophobicContact CG1-CZ2 3.93Å; W212-D214 PolarHBondContact O-N 2.83Å; W212-D215 PolarHBondContact N-OD2 2.76Å; W212-D215 PolarHBondContact O-N 3.37Å
213E90.1Very high86.1Confident171 Ų171104.8 Ų104.880%0.79952%0.523SS*.THydrogen-bonded Turntrans-64-30.1-179.8-63.7179.2157.400112.8K65K65-E213 IonicContact NZ-OE2 2.83Å; K65-E213 PolarHBondContact NZ-OE2 3.25Å
214D88.6Confident85.3Confident64 Ų64104.9 Ų104.934%0.34253%0.53SS..THydrogen-bonded Turntrans-102.69.9-177.464-50.1000113.3W212 E216W212-D214 PolarHBondContact O-N 2.83Å; D214-E216 PolarHBondContact O-N 3.17Å; D214-E216 VanDerWaalsContact O-N 3.17Å
215D84.9Confident84.5Confident70 Ų70104.7 Ų104.737%0.37452%0.523SS..PPolyproline II helixtrans-63.9117.2171.2-78.1-17.6000109.7R211 W212 T217R211-D215 WeakPolarHBondContact CA-OD2 3.38Å; W212-D215 PolarHBondContact N-OD2 2.76Å; W212-D215 PolarHBondContact O-N 3.37Å; D215-T217 PolarHBondContact O-N 3.37Å
216E79.4Confident83.8Confident119 Ų119105 Ų10556%0.55652%0.522SS*.PPolyproline II helixtrans-63.3123.4176.5-62.9-178.8175.300109.6D214 E220 V221D214-E216 PolarHBondContact O-N 3.17Å; D214-E216 VanDerWaalsContact O-N 3.17Å; E216-E220 HydrophobicContact CB-CB 4.34Å; E216-V221 HydrophobicContact CB-CG2 3.63Å; E216-V221 WeakPolarHBondContact OE2-CG2 3.33Å
217T75.7Confident83Confident54 Ų54104.7 Ų104.733%0.33152%0.523SS..PPolyproline II helixtrans-61.6152.3167.7610000109.7D215 E219 E220 V221D215-T217 PolarHBondContact O-N 3.37Å; T217-E219 PolarHBondContact O-N 3.19Å; T217-E220 WeakPolarHBondContact CB-OE2 3.48Å; T217-E220 PolarHBondContact N-OE2 2.7Å; T217-E220 WeakPolarHBondContact O-CB 3.46Å; T217-E220 PolarHBondContact O-N 3.23Å; T217-E220 WeakPolarHBondContact OG1-CB 3.36Å; T217-E220 WeakPolarHBondContact OG1-CG 3.46Å; T217-E220 PolarHBondContact OG1-N 3.35Å; T217-E220 PolarHBondContact OG1-OE2 3.15Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 3.29Å
218H70.9Confident82.1Confident145 Ų145106.1 Ų106.167%0.67153%0.533SS*.Hα-helixtrans-54-32176.8-175-91.9000112.4L222H218-L222 VanDerWaalsContact CE1-CD1 3.45Å; H218-L222 WeakPolarHBondContact CE1-CD1 3.48Å; H218-L222 WeakPolarHBondContact O-CB 3.41Å; H218-L222 VanDerWaalsContact O-CG 3.29Å; H218-L222 WeakPolarHBondContact O-CG 3.39Å; H218-L222 PolarHBondContact O-N 2.93Å; H218-L222 VanDerWaalsContact O-N 3.11Å
219E73.9Confident80.9Confident138 Ų138110.6 Ų110.665%0.64554%0.54SS*.Hα-helixtrans-66.9-45.6173.9-64.7-172.6176.200112.5T217 L222 Q223T217-E219 PolarHBondContact O-N 3.19Å; E219-L222 PolarHBondContact O-N 2.97Å; E219-Q223 WeakPolarHBondContact O-CB 3.49Å; E219-Q223 VanDerWaalsContact O-CG 3.26Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 3.28Å
220E77.9Confident79.6Confident97 Ų97111.7 Ų111.745%0.45353%0.53SS..Hα-helixtrans-61.8-43.7176.4-74.2161.8153.500111.4E216 T217 L222 Q223 A224E216-E220 HydrophobicContact CB-CB 4.34Å; T217-E220 WeakPolarHBondContact CB-OE2 3.48Å; T217-E220 PolarHBondContact N-OE2 2.7Å; T217-E220 WeakPolarHBondContact O-CB 3.46Å; T217-E220 PolarHBondContact O-N 3.23Å; T217-E220 WeakPolarHBondContact OG1-CB 3.36Å; T217-E220 WeakPolarHBondContact OG1-CG 3.46Å; T217-E220 PolarHBondContact OG1-N 3.35Å; T217-E220 PolarHBondContact OG1-OE2 3.15Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.48Å; E220-Q223 PolarHBondContact O-N 3.39Å; E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 2.99Å
221V76.8Confident78Confident42 Ų42117 Ų11726%0.25554%0.541SS..Hα-helixtrans-58.5-45.6175.4178.50000110.8E216 T217 A224 K225E216-V221 HydrophobicContact CB-CG2 3.63Å; E216-V221 WeakPolarHBondContact OE2-CG2 3.33Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 3.29Å; V221-A224 PolarHBondContact O-N 3.23Å; V221-K225 HydrophobicContact CG1-CD 4.35Å; V221-K225 WeakPolarHBondContact O-CG 3.47Å; V221-K225 PolarHBondContact O-N 3.05Å
222L76.8Confident76.4Confident76 Ų76114.5 Ų114.540%0.39854%0.538SS..Hα-helixtrans-66-41.3178.2-76.3174.2000112H218 E219 E220 K225 K226H218-L222 VanDerWaalsContact CE1-CD1 3.45Å; H218-L222 WeakPolarHBondContact CE1-CD1 3.48Å; H218-L222 WeakPolarHBondContact O-CB 3.41Å; H218-L222 VanDerWaalsContact O-CG 3.29Å; H218-L222 WeakPolarHBondContact O-CG 3.39Å; H218-L222 PolarHBondContact O-N 2.93Å; H218-L222 VanDerWaalsContact O-N 3.11Å; E219-L222 PolarHBondContact O-N 2.97Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.48Å; L222-K225 PolarHBondContact O-N 3.47Å; L222-K226 WeakPolarHBondContact O-CG 3.45Å; L222-K226 PolarHBondContact O-N 2.8Å
223Q78.9Confident74.6Confident110 Ų110114.1 Ų114.151%0.51454%0.543SS..Hα-helixtrans-64.1-44.4176.4-73.3-17928.700111.1E219 E220 K225 K226 L227E219-Q223 WeakPolarHBondContact O-CB 3.49Å; E219-Q223 VanDerWaalsContact O-CG 3.26Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 3.28Å; E220-Q223 PolarHBondContact O-N 3.39Å; Q223-K225 PolarHBondContact O-N 3.45Å; Q223-K226 WeakPolarHBondContact O-CB 3.31Å; Q223-K226 PolarHBondContact O-N 3.11Å; Q223-L227 WeakPolarHBondContact O-CB 3.45Å; Q223-L227 VanDerWaalsContact O-CG 3.31Å; Q223-L227 WeakPolarHBondContact O-CG 3.44Å; Q223-L227 PolarHBondContact O-N 2.86Å
224A77.7Confident72.9Confident47 Ų47108 Ų10839%0.38852%0.519SS..Hα-helixtrans-59.3-45.7175.400000111.6E220 V221 K226 L227 A228E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 2.99Å; V221-A224 PolarHBondContact O-N 3.23Å; A224-K226 PolarHBondContact O-N 2.83Å; A224-L227 PolarHBondContact O-N 3.18Å; A224-A228 WeakPolarHBondContact O-CB 3.2Å; A224-A228 PolarHBondContact O-N 3.14Å
225K77.3Confident71Confident133 Ų133114.5 Ų114.558%0.57854%0.544SS*.Hα-helixtrans-60.3-41.7174.2-75.1176.8-178.7175.30112.5V221 L222 Q223 R229V221-K225 HydrophobicContact CG1-CD 4.35Å; V221-K225 WeakPolarHBondContact O-CG 3.47Å; V221-K225 PolarHBondContact O-N 3.05Å; L222-K225 PolarHBondContact O-N 3.47Å; Q223-K225 PolarHBondContact O-N 3.45Å; K225-R229 PolarHBondContact O-N 3.44Å; K225-R229 VanDerWaalsContact O-N 3.14Å
226K78.5Confident69.3Low143 Ų143114.4 Ų114.462%0.62256%0.56SS**Hα-helixtrans-64.5-42.3175.2-75.4176.3-177177.50111.7L222 Q223 A224 R229 K230L222-K226 WeakPolarHBondContact O-CG 3.45Å; L222-K226 PolarHBondContact O-N 2.8Å; Q223-K226 WeakPolarHBondContact O-CB 3.31Å; Q223-K226 PolarHBondContact O-N 3.11Å; A224-K226 PolarHBondContact O-N 2.83Å; K226-R229 PolarHBondContact O-N 2.86Å; K226-K230 PolarHBondContact O-N 3.33Å
227L77.9Confident67.7Low101 Ų101114.1 Ų114.153%0.52957%0.567SS.*Hα-helixtrans-66.2-41178.2-73.2168.7000111.9Q223 A224 K230 R231Q223-L227 WeakPolarHBondContact O-CB 3.45Å; Q223-L227 VanDerWaalsContact O-CG 3.31Å; Q223-L227 WeakPolarHBondContact O-CG 3.44Å; Q223-L227 PolarHBondContact O-N 2.86Å; A224-L227 PolarHBondContact O-N 3.18Å; L227-K230 PolarHBondContact O-N 3.49Å; L227-R231 WeakPolarHBondContact O-CG 3.36Å; L227-R231 PolarHBondContact O-N 3.4Å
228A74.9Confident66.3Low54 Ų54117.6 Ų117.645%0.44659%0.592SS.*Hα-helixtrans-60.5-47.4175.100000111.6A224 K230 R231 E232A224-A228 WeakPolarHBondContact O-CB 3.2Å; A224-A228 PolarHBondContact O-N 3.14Å; A228-K230 VanDerWaalsContact C-N 3.33Å; A228-K230 PolarHBondContact O-N 3.05Å; A228-R231 PolarHBondContact O-N 3.16Å; A228-R231 VanDerWaalsContact O-N 3.16Å; A228-E232 PolarHBondContact O-N 3.25Å
229R71.7Confident65.2Low183 Ų183119.6 Ų119.669%0.69160%0.599SS**Hα-helixtrans-59.7-41173.9-75.9-176.8173.9-173.9-1.2112.6K225 K226 E232 H233K225-R229 PolarHBondContact O-N 3.44Å; K225-R229 VanDerWaalsContact O-N 3.14Å; K226-R229 PolarHBondContact O-N 2.86Å; R229-E232 PolarHBondContact O-N 3.15Å; R229-H233 PolarHBondContact O-N 3.45Å; R229-H233 VanDerWaalsContact O-N 3.15Å; R229-H233 PolarHBondContact O-ND1 2.83Å
230K65.5Low64.4Low145 Ų145121 Ų12163%0.6361%0.61SS**Hα-helixtrans-63.8-41.3174.9-81.8-174.3177.1-177.40111.8K226 L227 A228 E232 H233 S234K226-K230 PolarHBondContact O-N 3.33Å; L227-K230 PolarHBondContact O-N 3.49Å; A228-K230 VanDerWaalsContact C-N 3.33Å; A228-K230 PolarHBondContact O-N 3.05Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 3.12Å; K230-H233 CarbonylContact O-C 3.5Å; K230-H233 PolarHBondContact O-N 3.5Å; K230-H233 VanDerWaalsContact O-N 3.12Å; K230-S234 WeakPolarHBondContact O-CB 3.45Å; K230-S234 PolarHBondContact O-N 2.79Å; K230-S234 PolarHBondContact O-OG 2.83Å
231R57.9Low63.4Low192 Ų192120.2 Ų120.273%0.72562%0.615SS**Hα-helixtrans-62.7-38.9177.3-78.2179.2173.6174.9-0.8112.2L227 A228 H233 S234 K235L227-R231 WeakPolarHBondContact O-CG 3.36Å; L227-R231 PolarHBondContact O-N 3.4Å; A228-R231 PolarHBondContact O-N 3.16Å; A228-R231 VanDerWaalsContact O-N 3.16Å; R231-H233 VanDerWaalsContact C-N 3.32Å; R231-H233 PolarHBondContact O-N 3.31Å; R231-S234 WeakPolarHBondContact CA-OG 3.29Å; R231-S234 PolarHBondContact O-N 2.75Å; R231-K235 PolarHBondContact O-N 3.5Å
232E56.4Low62.2Low147 Ų147124.9 Ų124.969%0.68764%0.638SS**Hα-helixtrans-62.2-40.2171.5-71.8-176.8153.700111.9A228 R229 K230A228-E232 PolarHBondContact O-N 3.25Å; R229-E232 PolarHBondContact O-N 3.15Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 3.12Å
233H54.8Low60.9Low165 Ų165130.4 Ų130.476%0.76466%0.66SS**Hα-helixtrans-75.1-22.6176.8-76.270.7000114.2R229 K230 R231R229-H233 PolarHBondContact O-N 3.45Å; R229-H233 VanDerWaalsContact O-N 3.15Å; R229-H233 PolarHBondContact O-ND1 2.83Å; K230-H233 CarbonylContact O-C 3.5Å; K230-H233 PolarHBondContact O-N 3.5Å; K230-H233 VanDerWaalsContact O-N 3.12Å; R231-H233 VanDerWaalsContact C-N 3.32Å; R231-H233 PolarHBondContact O-N 3.31Å
234S54.2Low59.6Low44 Ų44133.8 Ų133.831%0.30867%0.673SS.*Hα-helixtrans-100.86.6-175.243.60000114.5K230 R231 G236 T237K230-S234 WeakPolarHBondContact O-CB 3.45Å; K230-S234 PolarHBondContact O-N 2.79Å; K230-S234 PolarHBondContact O-OG 2.83Å; R231-S234 WeakPolarHBondContact CA-OG 3.29Å; R231-S234 PolarHBondContact O-N 2.75Å; S234-G236 PolarHBondContact O-N 3.1Å; S234-T237 PolarHBondContact O-N 3.24Å; S234-T237 VanDerWaalsContact O-N 3.1Å
235K48.7Very low58.2Low199 Ų199137.9 Ų137.987%0.86569%0.688SS**THydrogen-bonded Turntrans-55.4-3166.6-87-174.7175.9179.60114.4R231R231-K235 PolarHBondContact O-N 3.5Å
236G50.4Low56.4Low69 Ų69139.8 Ų139.871%0.71171%0.705SS**THydrogen-bonded Turntrans-115.7-8.6173.400000117.6S234S234-G236 PolarHBondContact O-N 3.1Å
237T44.3Very low54.5Low113 Ų113136.9 Ų136.969%0.69371%0.707SS**  trans-155.1108.1-173.757.60000112.7S234S234-T237 PolarHBondContact O-N 3.24Å; S234-T237 VanDerWaalsContact O-N 3.1Å
238C46.1Very low52.5Low126 Ų126141.7 Ų141.785%0.85173%0.727SS**  trans-119.499.2166.5-84.60000109.8
239K49.7Very low50.6Low188 Ų188144.8 Ų144.882%0.81775%0.745SS**  trans-90129.4162.9-79.6-173.2176.7179.10109.2S241K239-S241 PolarHBondContact O-N 3.38Å; K239-S241 VanDerWaalsContact O-N 3.08Å
240L56.4Low49Very low167 Ų167146.3 Ų146.387%0.87476%0.757SS**G310 helixtrans-65.8-3.4-172.9-141.182.1000115.3N242L240-N242 VanDerWaalsContact C-N 3.35Å; L240-N242 PolarHBondContact O-N 2.75Å
241S55.5Low48Very low81 Ų81144.4 Ų144.457%0.56676%0.762SS**G310 helixtrans-79.8-6-163.855.30000115.7K239K239-S241 PolarHBondContact O-N 3.38Å; K239-S241 VanDerWaalsContact O-N 3.08Å
242N51.8Low47.3Very low140 Ų140141.1 Ų141.175%0.74977%0.768SS**G310 helixtrans-93.90.2-173.1-69.8-8.4000114.5L240L240-N242 VanDerWaalsContact C-N 3.35Å; L240-N242 PolarHBondContact O-N 2.75Å
243F51.1Low47Very low192 Ų192138.9 Ų138.984%0.84277%0.765SS**SBendtrans-81.2-15.5-172.3-129.8-91.1000114.6
244F51.4Low46.7Very low180 Ų180135.3 Ų135.379%0.78976%0.756SS**SBendtrans-112.1-0.7-167.6-70.3-77.2000116.1
245N47Very low46.7Very low134 Ų134139.8 Ų139.872%0.71778%0.777SS**  trans-95.15.6-163.4-87.82.1000118.2
246N41.2Very low47Very low173 Ų173135.3 Ų135.393%0.92578%0.777SS**  trans-121.671.1178.9-90.4-2.8000112.4
247A37.2Very low47.4Very low81 Ų81139.1 Ų139.167%0.66978%0.78SS**  trans-141.671.8166.800000109.5
248Q36.2Very low48.5Very low202 Ų202139.6 Ų139.694%0.94478%0.775SS**  trans178.690.7157.4-99156.743.600111.7
249S35.9Very low49.7Very low119 Ų119139.2 Ų139.283%0.83276%0.755SS**  trans-151.680.9150.465.50000108.8S251S249-S251 PolarHBondContact O-N 3.05Å
250K37.3Very low51.4Low215 Ų215136.3 Ų136.394%0.93575%0.745SS**  trans-81.6102.3167-76.2-175.4177.4-178.90107.5S252K250-S252 PolarHBondContact O-N 3.29Å
251S43.8Very low52.9Low106 Ų106133.1 Ų133.174%0.74173%0.734SS**  trans-69.7122.2165.954.60000109.1S249 T253S249-S251 PolarHBondContact O-N 3.05Å; S251-T253 PolarHBondContact O-N 3.47Å
252S43.2Very low54.6Low122 Ų122135.5 Ų135.585%0.85373%0.734SS**  trans-74.399.1176.851.50000110.9K250K250-S252 PolarHBondContact O-N 3.29Å
253T49.9Very low56.4Low101 Ų101133.2 Ų133.262%0.6272%0.718SS**  trans-85.7142.1160.123.60000109.8S251 D255S251-T253 PolarHBondContact O-N 3.47Å; T253-D255 PolarHBondContact O-N 3.43Å
254P49Very low58.2Low89 Ų89128.6 Ų128.658%0.57871%0.705SS**  trans-67.5132.3-175.822.1-23.8000111.6A256 L257P254-A256 PolarHBondContact O-N 3.42Å; P254-L257 HydrophobicContact CG-CD1 4.49Å; P254-L257 PolarHBondContact O-N 3.02Å; P254-L257 VanDerWaalsContact O-N 3.12Å
255D54.5Low60Low139 Ų139131.2 Ų131.274%0.74371%0.71SS**G310 helixtrans-50.8-26.8-172-123.1-18.6000114.4T253 L257 Q258T253-D255 PolarHBondContact O-N 3.43Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 3.46Å; D255-Q258 PolarHBondContact O-N 2.96Å; D255-Q258 PolarHBondContact OD1-OE1 2.87Å
256A54.7Low62.2Low104 Ų104128.1 Ų128.186%0.8670%0.696SS**G310 helixtrans-73.2-14.9-177.500000114.8P254P254-A256 PolarHBondContact O-N 3.42Å
257L60.2Low64.5Low150 Ų150122.7 Ų122.779%0.78568%0.681SS**G310 helixtrans-105.80176.6-73.9164.2000112.5P254 D255 R259P254-L257 HydrophobicContact CG-CD1 4.49Å; P254-L257 PolarHBondContact O-N 3.02Å; P254-L257 VanDerWaalsContact O-N 3.12Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 3.46Å; L257-R259 PolarHBondContact O-N 2.85Å
258Q65.8Low67.1Low123 Ų123123.2 Ų123.258%0.57567%0.672SS**  trans-81.2110.2-176.9-143.4172.22.200109.7D255D255-Q258 PolarHBondContact O-N 2.96Å; D255-Q258 PolarHBondContact OD1-OE1 2.87Å
259R73Confident69.4Low117 Ų117118.6 Ų118.644%0.44266%0.657SS.*  trans-59.9139177.7-81.1-179.2160.4-147.23.9110.7L257 V264 L268L257-R259 PolarHBondContact O-N 2.85Å; R259-V264 HydrophobicContact CB-CG2 3.81Å; R259-L268 PolarHBondContact NH1-O 3.49Å
260Q84.1Confident71.7Confident128 Ų128119.9 Ų119.960%0.59865%0.65SS**  trans-55138.5176.5-66-69.3-36.700110.5F262 F263 V264Q260-F262 PolarHBondContact O-N 3.22Å; Q260-F263 HydrophobicContact CB-CD2 3.73Å; Q260-F263 HydrophobicContact CB-CE2 3.98Å; Q260-F263 HydrophobicContact CG-CD2 4.42Å; Q260-F263 HydrophobicContact CG-CE2 4.28Å; Q260-F263 PolarHBondContact O-N 2.99Å; Q260-V264 PolarHBondContact O-N 2.59Å
261P88Confident74Confident99 Ų99115.1 Ų115.164%0.64364%0.639SS**Hα-helixtrans-53.6-32-175.7-28.534.4000114.1V264 R265P261-V264 PolarHBondContact O-N 3.1Å; P261-R265 WeakPolarHBondContact O-CB 3.48Å; P261-R265 PolarHBondContact O-N 3.43Å
262F90.6Very high75.8Confident131 Ų131118.1 Ų118.158%0.57564%0.641SS**Hα-helixtrans-57.4-50176.1175.9-97.1000112.7Q260 V264 R265 T266 L268Q260-F262 PolarHBondContact O-N 3.22Å; F262-V264 VanDerWaalsContact C-N 3.34Å; F262-V264 PolarHBondContact O-N 3.32Å; F262-R265 PolarHBondContact O-N 2.96Å; F262-T266 HydrophobicContact CD2-CG2 4.44Å; F262-T266 HydrophobicContact CE2-CG2 4.11Å; F262-T266 HydrophobicContact CZ-CG2 4.21Å; F262-T266 WeakPolarHBondContact O-CB 3.35Å; F262-T266 WeakPolarHBondContact O-CG2 3.39Å; F262-T266 PolarHBondContact O-N 3.12Å; F262-T266 VanDerWaalsContact O-N 3.15Å; F262-T266 PolarHBondContact O-OG1 3.02Å; F262-L268 HydrophobicContact CE1-CD1 4.2Å
263F90.8Very high76.8Confident93 Ų93118 Ų11841%0.40864%0.635SS.*Hα-helixtrans-67.9-35.6-178.4-60.8-64.1000112Q260 T266 G267 L268Q260-F263 HydrophobicContact CB-CD2 3.73Å; Q260-F263 HydrophobicContact CB-CE2 3.98Å; Q260-F263 HydrophobicContact CG-CD2 4.42Å; Q260-F263 HydrophobicContact CG-CE2 4.28Å; Q260-F263 PolarHBondContact O-N 2.99Å; F263-T266 PolarHBondContact O-OG1 3.28Å; F263-G267 PolarHBondContact O-N 3.32Å; F263-L268 HydrophobicContact CD1-CB 4.19Å; F263-L268 HydrophobicContact CD1-CD1 4.38Å; F263-L268 PolarHBondContact O-N 3.23Å
264V88.8Confident77.1Confident95 Ų95121.1 Ų121.158%0.57665%0.646SS**Hα-helixtrans-66.3-49.8177.1-179.50000110.5R259 Q260 P261 F262 T266 G267R259-V264 HydrophobicContact CB-CG2 3.81Å; Q260-V264 PolarHBondContact O-N 2.59Å; P261-V264 PolarHBondContact O-N 3.1Å; F262-V264 VanDerWaalsContact C-N 3.34Å; F262-V264 PolarHBondContact O-N 3.32Å; V264-T266 VanDerWaalsContact C-N 3.25Å; V264-T266 PolarHBondContact O-N 3.08Å; V264-G267 PolarHBondContact O-N 3.49Å
265R89.8Confident76.7Confident234 Ų234126.5 Ų126.588%0.88368%0.678SS**Hα-helixtrans-62.6-32-178.7-178178.3176.5-176.2-0.5113.1P261 F262P261-R265 WeakPolarHBondContact O-CB 3.48Å; P261-R265 PolarHBondContact O-N 3.43Å; F262-R265 PolarHBondContact O-N 2.96Å
266T92.5Very high77.8Confident69 Ų69125.9 Ų125.942%0.42367%0.674SS.*THydrogen-bonded Turntrans-91.7-3.6-177.852.60000113.5F262 F263 V264 L268F262-T266 HydrophobicContact CD2-CG2 4.44Å; F262-T266 HydrophobicContact CE2-CG2 4.11Å; F262-T266 HydrophobicContact CZ-CG2 4.21Å; F262-T266 WeakPolarHBondContact O-CB 3.35Å; F262-T266 WeakPolarHBondContact O-CG2 3.39Å; F262-T266 PolarHBondContact O-N 3.12Å; F262-T266 VanDerWaalsContact O-N 3.15Å; F262-T266 PolarHBondContact O-OG1 3.02Å; F263-T266 PolarHBondContact O-OG1 3.28Å; V264-T266 VanDerWaalsContact C-N 3.25Å; V264-T266 PolarHBondContact O-N 3.08Å; T266-L268 PolarHBondContact O-N 3.31Å; T266-L268 WeakPolarHBondContact OG1-CD1 3.43Å; T266-L268 WeakPolarHBondContact OG1-CG 3.26Å
267G90Very high79Confident60 Ų60127 Ų12762%0.61967%0.665SS**THydrogen-bonded Turntrans68.414-176.800000114.3F263 V264F263-G267 PolarHBondContact O-N 3.32Å; V264-G267 PolarHBondContact O-N 3.49Å
268L90.1Very high80.1Confident91 Ų91125.7 Ų125.748%0.47666%0.658SS.*  trans-77131.2-177.6-67.2175.5000110.9R259 F262 F263 T266R259-L268 PolarHBondContact NH1-O 3.49Å; F262-L268 HydrophobicContact CE1-CD1 4.2Å; F263-L268 HydrophobicContact CD1-CB 4.19Å; F263-L268 HydrophobicContact CD1-CD1 4.38Å; F263-L268 PolarHBondContact O-N 3.23Å; T266-L268 PolarHBondContact O-N 3.31Å; T266-L268 WeakPolarHBondContact OG1-CD1 3.43Å; T266-L268 WeakPolarHBondContact OG1-CG 3.26Å
269V86.3Confident80.9Confident105 Ų105125.9 Ų125.964%0.63666%0.663SS**  trans-124.8140.8178.2-62.60000111.2V271V269-V271 PolarHBondContact O-N 3.38Å
270H83.8Confident81.4Confident147 Ų147126.4 Ų126.468%0.68168%0.677SS**  trans-65.6125.3170-177.4-75000109.3Q272H270-Q272 PolarHBondContact O-N 3.33Å; H270-Q272 VanDerWaalsContact O-N 3.12Å
271V85.4Confident81.3Confident115 Ų115126.3 Ų126.370%0.69768%0.682SS**  trans-75.2101.1173.7-177.70000107.7V269 T273V269-V271 PolarHBondContact O-N 3.38Å; V271-T273 PolarHBondContact O-N 3.12Å
272Q81.7Confident80.8Confident168 Ų168128.3 Ų128.379%0.78569%0.685SS**  trans-80110.4163.4-68.9-179.4-18.100105.9H270 I274H270-Q272 PolarHBondContact O-N 3.33Å; H270-Q272 VanDerWaalsContact O-N 3.12Å; Q272-I274 PolarHBondContact O-N 2.98Å
273T64.9Low80Confident120 Ų120128.1 Ų128.174%0.73669%0.693SS**  trans-49.1129.3-174.5-36.10000111.1V271 T275V271-T273 PolarHBondContact O-N 3.12Å; T273-T275 PolarHBondContact O-N 3.49Å; T273-T275 VanDerWaalsContact O-N 3.1Å
274I55.5Low79.1Confident166 Ų166131 Ų13185%0.85172%0.717SS**  trans-68.3100.3172.2-58.4164.1000106.4Q272Q272-I274 PolarHBondContact O-N 2.98Å
275T40.8Very low78.2Confident202 Ų202134.3 Ų134.3100%1.23973%0.73SS**  trans-800159.943.80000110.2T273T273-T275 PolarHBondContact O-N 3.49Å; T273-T275 VanDerWaalsContact O-N 3.1Å

Retrieved 275 of 275 residues in 53 ms (Link to these results)

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