A0A5K4ESB0_SCHMA Loading...

Glycosyltransferase-related

AlphaFold DB , UniProt , Accession A0A5K4ESB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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
1M47Very low84.3Confident241 Ų24196.3 Ų96.3100%1.18753%0.526SS*.  0130.30-69.5-173.2-122.100106.6T3M1-T3 PolarHBondContact O-N 3.49Å
2A69.4Low85Confident98 Ų9893.3 Ų93.381%0.8151%0.509SS*.PPolyproline II helixtrans-69.6128.8175.900000108.8T4A2-T4 PolarHBondContact O-N 3.46Å
3T78.1Confident85.4Confident102 Ų10287.1 Ų87.163%0.62648%0.475SS*.PPolyproline II helixtrans-67.4120.7173.6-53.10000108.3M1 Y5M1-T3 PolarHBondContact O-N 3.49Å; T3-Y5 HydrophobicContact CG2-CD2 4.23Å; T3-Y5 HydrophobicContact CG2-CE1 4.02Å; T3-Y5 HydrophobicContact CG2-CE2 3.6Å; T3-Y5 VanDerWaalsContact CG2-CZ 3.48Å
4T82Confident85.4Confident108 Ų10883.1 Ų83.166%0.66346%0.455SS*.PPolyproline II helixtrans-90.5117.4175.7-9.10000109A2 N33A2-T4 PolarHBondContact O-N 3.46Å; T4-N33 VanDerWaalsContact CG2-ND2 3.27Å; T4-N33 WeakPolarHBondContact CG2-ND2 3.35Å
5Y87.9Confident85Confident145 Ų14581.2 Ų81.257%0.56945%0.447SS*.PPolyproline II helixtrans-95.1148173.3-62.8-86.9000109.9T3 I92T3-Y5 HydrophobicContact CG2-CD2 4.23Å; T3-Y5 HydrophobicContact CG2-CE1 4.02Å; T3-Y5 HydrophobicContact CG2-CE2 3.6Å; T3-Y5 VanDerWaalsContact CG2-CZ 3.48Å; Y5-I92 HydrophobicContact CD2-CD1 4.24Å; Y5-I92 HydrophobicContact CE2-CD1 4.37Å
6I93.1Very high84.1Confident99 Ų9984.3 Ų84.351%0.50846%0.461SS..PPolyproline II helixtrans-88.1123.1166.4-63.3173.6000107V8 N33 E35I6-V8 HydrophobicContact CG2-CG2 4.28Å; I6-N33 WeakPolarHBondContact CA-O 3.19Å; I6-E35 HydrophobicContact CG2-CG 3.95Å
7T92.8Very high83.3Confident62 Ų6284.8 Ų84.838%0.3847%0.468SS..EExtended strand (participates in β ladder)trans-88.1118.7173.8-57.70000109.1I9 N33 M34 E35T7-I9 HydrophobicContact CG2-CG1 4.24Å; T7-N33 PolarHBondContact N-O 3.32Å; T7-M34 VanDerWaalsContact O-CA 3.26Å; T7-M34 WeakPolarHBondContact O-CA 3.32Å; T7-E35 PolarHBondContact O-N 3.45Å
8V95.3Very high82.4Confident57 Ų5784.3 Ų84.335%0.34547%0.471SS..EExtended strand (participates in β ladder)trans-101.8120.9177.6-1710000109.1I6 H10 E35 Y37I6-V8 HydrophobicContact CG2-CG2 4.28Å; V8-H10 WeakPolarHBondContact CG1-NE2 3.41Å; V8-E35 WeakPolarHBondContact CA-O 3.47Å; V8-E35 HydrophobicContact CG1-CB 4.33Å; V8-E35 HydrophobicContact CG2-CB 4.36Å; V8-Y37 HydrophobicContact CG1-CD2 3.52Å; V8-Y37 HydrophobicContact CG1-CE2 3.58Å
9I94Very high82.3Confident55 Ų5581.6 Ų81.628%0.28246%0.455SS..EExtended strand (participates in β ladder)trans-106.5121.6179.1-61179000109.6T7 F11 E35 Y36 Y37T7-I9 HydrophobicContact CG2-CG1 4.24Å; I9-F11 HydrophobicContact CB-CE2 4.23Å; I9-F11 HydrophobicContact CG2-CD1 4.39Å; I9-F11 HydrophobicContact CG2-CD2 3.94Å; I9-F11 HydrophobicContact CG2-CE1 3.96Å; I9-F11 HydrophobicContact CG2-CE2 3.47Å; I9-F11 VanDerWaalsContact CG2-CE2 3.47Å; I9-F11 HydrophobicContact CG2-CG 4.39Å; I9-F11 HydrophobicContact CG2-CZ 3.49Å; I9-F11 VanDerWaalsContact CG2-CZ 3.49Å; I9-E35 PolarHBondContact N-O 3.44Å; I9-Y36 HydrophobicContact CB-CD1 4.04Å; I9-Y36 HydrophobicContact CD1-CD1 4.42Å; I9-Y36 HydrophobicContact CD1-CE1 4.11Å; I9-Y36 WeakPolarHBondContact O-CA 3.38Å; I9-Y37 PolarHBondContact O-N 3.01Å
10H94.8Very high82.4Confident48 Ų4885.9 Ų85.922%0.22246%0.464CS..EExtended strand (participates in β ladder)trans-101.5108.9177.6-61.1-87000109.8V8 Y37 Y39 L71 I75V8-H10 WeakPolarHBondContact CG1-NE2 3.41Å; H10-Y37 AromaticContact CE1-CD2 3.93Å; H10-Y39 HydrophobicContact CB-CD2 4.33Å; H10-Y39 HydrophobicContact CB-CE2 3.75Å; H10-Y39 AromaticContact CG-CE2 3.93Å; H10-Y39 AromaticContact ND1-CE2 3.35Å; H10-Y39 VanDerWaalsContact ND1-CE2 3.35Å; H10-Y39 WeakPolarHBondContact ND1-CE2 3.49Å; H10-Y39 AromaticContact ND1-CZ 3.56Å; H10-Y39 PolarHBondContact ND1-OH 3.49Å; H10-L71 HydrophobicContact CB-CD2 4.02Å; H10-I75 WeakPolarHBondContact CE1-CD1 3.43Å
11F92.9Very high82.6Confident44 Ų4491.2 Ų91.219%0.19348%0.477CS..EExtended strand (participates in β ladder)trans-90.9119.9177.4-69.1-76.3000111.2I9 V13 L22 M26 Y36 Y37 F38 Y39I9-F11 HydrophobicContact CB-CE2 4.23Å; I9-F11 HydrophobicContact CG2-CD1 4.39Å; I9-F11 HydrophobicContact CG2-CD2 3.94Å; I9-F11 HydrophobicContact CG2-CE1 3.96Å; I9-F11 HydrophobicContact CG2-CE2 3.47Å; I9-F11 VanDerWaalsContact CG2-CE2 3.47Å; I9-F11 HydrophobicContact CG2-CG 4.39Å; I9-F11 HydrophobicContact CG2-CZ 3.49Å; I9-F11 VanDerWaalsContact CG2-CZ 3.49Å; F11-V13 HydrophobicContact CB-CG1 4.29Å; F11-L22 HydrophobicContact CD1-CD2 3.73Å; F11-L22 HydrophobicContact CE1-CD2 3.98Å; F11-L22 HydrophobicContact CG-CD2 4.15Å; F11-M26 HydrophobicContact CE2-CE 4.2Å; F11-M26 HydrophobicContact CE2-CG 3.89Å; F11-M26 HydrophobicContact CE2-SD 4.44Å; F11-M26 HydrophobicContact CZ-CE 3.92Å; F11-M26 HydrophobicContact CZ-CG 4.04Å; F11-M26 HydrophobicContact CZ-SD 4.05Å; F11-Y36 AromaticContact CE2-CD1 3.9Å; F11-Y36 HydrophobicContact CE2-CD1 3.9Å; F11-Y36 HydrophobicContact CE2-CG 4.49Å; F11-Y37 PolarHBondContact N-O 3.01Å; F11-F38 HydrophobicContact CB-CD1 3.64Å; F11-F38 HydrophobicContact CB-CE1 3.82Å; F11-F38 HydrophobicContact CB-CG 4.33Å; F11-F38 HydrophobicContact CD2-CD1 4.09Å; F11-F38 AromaticContact CD2-CE1 3.53Å; F11-F38 HydrophobicContact CD2-CE1 3.53Å; F11-F38 HydrophobicContact CD2-CE2 4.2Å; F11-F38 AromaticContact CD2-CZ 3.58Å; F11-F38 HydrophobicContact CD2-CZ 3.58Å; F11-F38 HydrophobicContact CE2-CE1 4.25Å; F11-F38 AromaticContact CE2-CZ 4Å; F11-F38 HydrophobicContact CE2-CZ 4Å; F11-F38 HydrophobicContact CG-CD1 4.13Å; F11-F38 AromaticContact CG-CE1 3.79Å; F11-F38 HydrophobicContact CG-CE1 3.79Å; F11-F38 HydrophobicContact CG-CZ 4.31Å; F11-F38 WeakPolarHBondContact O-CA 3.42Å; F11-Y39 PolarHBondContact O-N 3.39Å
12L92.1Very high84.5Confident61 Ų6182.4 Ų82.432%0.31944%0.435SS..EExtended strand (participates in β ladder)trans-86.1119.2169-55.5-166.1000109.4Y39 L63 L67 I70L12-Y39 HydrophobicContact CD2-CD2 4.23Å; L12-Y39 HydrophobicContact CD2-CG 4.42Å; L12-L63 HydrophobicContact CD1-CB 4.47Å; L12-L67 HydrophobicContact CD1-CD2 3.83Å; L12-I70 HydrophobicContact CD1-CD1 4.4Å; L12-I70 HydrophobicContact CD2-CG2 3.69Å
13V90.6Very high85.3Confident12 Ų1280.9 Ų80.97%0.07341%0.412CS..EExtended strand (participates in β ladder)trans-128.2133.9-173-65.40000111.8F11 N19 F38 Y39 N40 C41F11-V13 HydrophobicContact CB-CG1 4.29Å; V13-N19 HydrophobicContact CB-CB 4.21Å; V13-N19 HydrophobicContact CG1-CB 4.39Å; V13-N19 HydrophobicContact CG2-CB 3.89Å; V13-F38 HydrophobicContact CG1-CD1 4.21Å; V13-Y39 WeakPolarHBondContact CG2-O 3.34Å; V13-Y39 PolarHBondContact N-O 3.17Å; V13-N40 CarbonylContact O-C 3.27Å; V13-N40 WeakPolarHBondContact O-CA 3.21Å; V13-C41 PolarHBondContact O-N 2.96Å
14T85.5Confident85.8Confident31 Ų3180.2 Ų80.219%0.1940%0.404CS..SBendtrans-105.8-4.5-17966.20000113.3C41 N42 L45 K60 L63T14-C41 HydrophobicContact CG2-CB 4.32Å; T14-N42 PolarHBondContact O-ND2 2.9Å; T14-N42 PolarHBondContact O-OD1 3.2Å; T14-L45 HydrophobicContact CG2-CD1 3.88Å; T14-K60 HydrophobicContact CG2-CG 4.4Å; T14-L63 HydrophobicContact CG2-CD1 3.85Å
15T80Confident86.1Confident55 Ų5578.9 Ų78.934%0.33739%0.393SS..  trans-135.8139.2175.2730000110.9T17 S18 N19T15-T17 PolarHBondContact O-N 3.17Å; T15-S18 PolarHBondContact O-N 3.41Å; T15-S18 WeakPolarHBondContact OG1-CB 3.48Å; T15-S18 PolarHBondContact OG1-N 3.4Å; T15-S18 VanDerWaalsContact OG1-N 3.15Å; T15-S18 PolarHBondContact OG1-OG 3Å; T15-N19 WeakPolarHBondContact O-CB 3.24Å; T15-N19 PolarHBondContact O-N 3.35Å
16I69.5Low86.2Confident130 Ų13072.9 Ų72.967%0.66737%0.37SS*.Hα-helixtrans-59-38.2176.9-63.8168.1000110.1N19 R20I16-N19 WeakPolarHBondContact O-CB 3.44Å; I16-N19 PolarHBondContact O-N 3.08Å; I16-R20 PolarHBondContact O-N 2.98Å
17T70.4Confident85.7Confident94 Ų9472.9 Ų72.958%0.57737%0.371SS*.Hα-helixtrans-68.9-45-177.8-33.40000112.6T15 N19 R20 R21T15-T17 PolarHBondContact O-N 3.17Å; T17-N19 VanDerWaalsContact C-N 3.32Å; T17-R20 PolarHBondContact O-N 3.15Å; T17-R21 PolarHBondContact O-N 3.29Å
18S68.4Low85.5Confident75 Ų7574.6 Ų74.652%0.52438%0.382SS..Hα-helixtrans-65-39.9176.3-59.50000110.8T15 R20 R21 L22T15-S18 PolarHBondContact O-N 3.41Å; T15-S18 WeakPolarHBondContact OG1-CB 3.48Å; T15-S18 PolarHBondContact OG1-N 3.4Å; T15-S18 VanDerWaalsContact OG1-N 3.15Å; T15-S18 PolarHBondContact OG1-OG 3Å; S18-R20 PolarHBondContact O-N 3.15Å; S18-R21 PolarHBondContact O-N 2.9Å; S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 PolarHBondContact O-N 3.3Å
19N79.4Confident85.1Confident33 Ų3379 Ų7918%0.17639%0.392CS..Hα-helixtrans-56.5-50.1174.8-173.40.1000111.3V13 T15 I16 T17 R21 L22 M23 F38V13-N19 HydrophobicContact CB-CB 4.21Å; V13-N19 HydrophobicContact CG1-CB 4.39Å; V13-N19 HydrophobicContact CG2-CB 3.89Å; T15-N19 WeakPolarHBondContact O-CB 3.24Å; T15-N19 PolarHBondContact O-N 3.35Å; I16-N19 WeakPolarHBondContact O-CB 3.44Å; I16-N19 PolarHBondContact O-N 3.08Å; T17-N19 VanDerWaalsContact C-N 3.32Å; N19-R21 PolarHBondContact O-N 3.35Å; N19-L22 PolarHBondContact O-N 3.12Å; N19-M23 WeakPolarHBondContact O-CB 3.27Å; N19-M23 PolarHBondContact O-N 3.11Å; N19-F38 WeakPolarHBondContact OD1-CD1 3.28Å; N19-F38 WeakPolarHBondContact OD1-CG 3.47Å
20R83.9Confident84.5Confident168 Ų16885 Ų8563%0.63442%0.416SS*.Hα-helixtrans-62.2-42-176.3-165.2177.671.4156.41.6113.2I16 T17 S18 N24I16-R20 PolarHBondContact O-N 2.98Å; T17-R20 PolarHBondContact O-N 3.15Å; S18-R20 PolarHBondContact O-N 3.15Å; R20-N24 WeakPolarHBondContact O-CB 3.48Å; R20-N24 PolarHBondContact O-N 2.91Å; R20-N24 PolarHBondContact O-ND2 3.22Å; R20-N24 PolarHBondContact O-OD1 3.46Å
21R86.8Confident84.2Confident197 Ų19786 Ų8674%0.74342%0.423SS*.Hα-helixtrans-67.8-46.9179-72.1-174.9-179.4176.70.9111.3T17 S18 N19 N24 L25T17-R21 PolarHBondContact O-N 3.29Å; S18-R21 PolarHBondContact O-N 2.9Å; N19-R21 PolarHBondContact O-N 3.35Å; R21-N24 PolarHBondContact O-N 3.35Å; R21-L25 PolarHBondContact O-N 2.97Å
22L87.4Confident84.1Confident56 Ų5694.6 Ų94.629%0.29345%0.454SS..Hα-helixtrans-64.7-46.3179.3-177.359.6000111.3F11 S18 N19 N24 L25 M26 F38F11-L22 HydrophobicContact CD1-CD2 3.73Å; F11-L22 HydrophobicContact CE1-CD2 3.98Å; F11-L22 HydrophobicContact CG-CD2 4.15Å; S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 PolarHBondContact O-N 3.3Å; N19-L22 PolarHBondContact O-N 3.12Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.46Å; L22-L25 WeakPolarHBondContact O-CA 3.33Å; L22-L25 WeakPolarHBondContact O-CB 3.38Å; L22-L25 PolarHBondContact O-N 3.21Å; L22-M26 HydrophobicContact CD1-CG 4.25Å; L22-M26 HydrophobicContact CD1-SD 4.26Å; L22-M26 HydrophobicContact CG-CG 4.42Å; L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 3.24Å; L22-F38 HydrophobicContact CB-CE1 4.34Å; L22-F38 HydrophobicContact CD2-CE1 4.03Å; L22-F38 HydrophobicContact CG-CE1 3.94Å
23M85.8Confident84Confident67 Ų6795.8 Ų95.833%0.3346%0.461SS..Hα-helixtrans-58.1-43.4176-174.4176.469.900112N19 L25 M26 N27 F38N19-M23 WeakPolarHBondContact O-CB 3.27Å; N19-M23 PolarHBondContact O-N 3.11Å; M23-L25 VanDerWaalsContact C-N 3.33Å; M23-L25 PolarHBondContact O-N 3.01Å; M23-M26 PolarHBondContact O-N 2.93Å; M23-N27 VanDerWaalsContact O-CB 3.3Å; M23-N27 WeakPolarHBondContact O-CB 3.32Å; M23-N27 PolarHBondContact O-N 2.75Å; M23-N27 PolarHBondContact O-ND2 3.37Å; M23-F38 VanDerWaalsContact CA-CZ 3.48Å; M23-F38 HydrophobicContact CB-CD2 4.36Å; M23-F38 HydrophobicContact CB-CE1 4.1Å; M23-F38 HydrophobicContact CB-CE2 3.93Å; M23-F38 HydrophobicContact CB-CZ 3.8Å; M23-F38 HydrophobicContact CG-CD2 4.11Å; M23-F38 HydrophobicContact CG-CE2 3.77Å; M23-F38 HydrophobicContact CG-CZ 4.16Å; M23-F38 HydrophobicContact SD-CD2 4.38Å
24N88.5Confident84.1Confident87 Ų8798.6 Ų98.647%0.46547%0.474SS..Hα-helixtrans-62.7-39.8174.6-74.3-8.9000112.3R20 R21 L22 T28R20-N24 WeakPolarHBondContact O-CB 3.48Å; R20-N24 PolarHBondContact O-N 2.91Å; R20-N24 PolarHBondContact O-ND2 3.22Å; R20-N24 PolarHBondContact O-OD1 3.46Å; R21-N24 PolarHBondContact O-N 3.35Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.46Å; N24-T28 WeakPolarHBondContact O-CB 3.41Å; N24-T28 WeakPolarHBondContact O-CG2 3.4Å; N24-T28 PolarHBondContact O-N 3.42Å; N24-T28 VanDerWaalsContact O-N 3.1Å; N24-T28 PolarHBondContact O-OG1 3.25Å
25L89.7Confident84.4Confident80 Ų80101 Ų10142%0.41948%0.483SS..Hα-helixtrans-62.3-52176.2-173.270.5000110.6R21 L22 M23 N27 T28 W29R21-L25 PolarHBondContact O-N 2.97Å; L22-L25 WeakPolarHBondContact O-CA 3.33Å; L22-L25 WeakPolarHBondContact O-CB 3.38Å; L22-L25 PolarHBondContact O-N 3.21Å; M23-L25 VanDerWaalsContact C-N 3.33Å; M23-L25 PolarHBondContact O-N 3.01Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 3.44Å; L25-T28 PolarHBondContact O-N 3.1Å; L25-T28 VanDerWaalsContact O-N 3.13Å; L25-T28 PolarHBondContact O-OG1 3.03Å; L25-W29 VanDerWaalsContact CD1-NE1 3.26Å; L25-W29 PolarHBondContact O-N 3.17Å
26M88.2Confident85Confident20 Ų20100.2 Ų100.210%0.09947%0.474CS..Hα-helixtrans-62.9-40-178.3-59-47.6-69.200112.2F11 L22 M23 T28 W29 Y36 F38F11-M26 HydrophobicContact CE2-CE 4.2Å; F11-M26 HydrophobicContact CE2-CG 3.89Å; F11-M26 HydrophobicContact CE2-SD 4.44Å; F11-M26 HydrophobicContact CZ-CE 3.92Å; F11-M26 HydrophobicContact CZ-CG 4.04Å; F11-M26 HydrophobicContact CZ-SD 4.05Å; L22-M26 HydrophobicContact CD1-CG 4.25Å; L22-M26 HydrophobicContact CD1-SD 4.26Å; L22-M26 HydrophobicContact CG-CG 4.42Å; L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 3.24Å; M23-M26 PolarHBondContact O-N 2.93Å; M26-T28 VanDerWaalsContact C-N 3.3Å; M26-T28 PolarHBondContact O-N 2.91Å; M26-W29 PolarHBondContact O-N 3.05Å; M26-Y36 HydrophobicContact CB-CD1 4.26Å; M26-Y36 HydrophobicContact CB-CD2 4.05Å; M26-Y36 HydrophobicContact CB-CE1 4.43Å; M26-Y36 HydrophobicContact CB-CE2 4.22Å; M26-Y36 HydrophobicContact CB-CG 4.06Å; M26-Y36 HydrophobicContact CE-CD1 3.6Å; M26-Y36 HydrophobicContact CE-CE1 3.11Å; M26-Y36 HydrophobicContact CG-CD1 4.42Å; M26-F38 HydrophobicContact CB-CZ 4.43Å; M26-F38 HydrophobicContact CG-CZ 4.14Å
27N82.8Confident86.1Confident99 Ų9999.4 Ų99.453%0.52946%0.463SS..Hα-helixtrans-68.7-27.4177.9-71.2-21.4000113M23 L25M23-N27 VanDerWaalsContact O-CB 3.3Å; M23-N27 WeakPolarHBondContact O-CB 3.32Å; M23-N27 PolarHBondContact O-N 2.75Å; M23-N27 PolarHBondContact O-ND2 3.37Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 3.44Å
28T89.3Confident87.2Confident97 Ų9797 Ų9760%0.59545%0.445SS*.Hα-helixtrans-87.7-23.818055.60000113.1N24 L25 M26 K30N24-T28 WeakPolarHBondContact O-CB 3.41Å; N24-T28 WeakPolarHBondContact O-CG2 3.4Å; N24-T28 PolarHBondContact O-N 3.42Å; N24-T28 VanDerWaalsContact O-N 3.1Å; N24-T28 PolarHBondContact O-OG1 3.25Å; L25-T28 PolarHBondContact O-N 3.1Å; L25-T28 VanDerWaalsContact O-N 3.13Å; L25-T28 PolarHBondContact O-OG1 3.03Å; M26-T28 VanDerWaalsContact C-N 3.3Å; M26-T28 PolarHBondContact O-N 2.91Å; T28-K30 PolarHBondContact O-N 3.1Å
29W86.9Confident88.3Confident151 Ų15195.2 Ų95.257%0.57243%0.427SS*.SBendtrans-65.9-16.9178.3-84.331.7000114L25 M26 L31L25-W29 VanDerWaalsContact CD1-NE1 3.26Å; L25-W29 PolarHBondContact O-N 3.17Å; M26-W29 PolarHBondContact O-N 3.05Å; W29-L31 HydrophobicContact CB-CG 4.17Å; W29-L31 HydrophobicContact CE3-CD1 4.1Å; W29-L31 PolarHBondContact O-N 3.3Å
30K82.4Confident88.8Confident180 Ų18097.2 Ų97.278%0.78344%0.438SS*.  trans4738.1173.8-66.3-175.8-178.8-177.20113.9T28T28-K30 PolarHBondContact O-N 3.1Å
31L87.9Confident89.2Confident69 Ų6989.2 Ų89.236%0.36141%0.408SS..  trans-65.6137.8178.2-58-177.5000110.1W29 M34 Y36W29-L31 HydrophobicContact CB-CG 4.17Å; W29-L31 HydrophobicContact CE3-CD1 4.1Å; W29-L31 PolarHBondContact O-N 3.3Å; L31-M34 HydrophobicContact CB-CB 4.28Å; L31-M34 HydrophobicContact CB-CE 3.99Å; L31-M34 HydrophobicContact CB-CG 4.12Å; L31-M34 HydrophobicContact CB-SD 3.82Å; L31-M34 HydrophobicContact CD1-CE 3.56Å; L31-M34 HydrophobicContact CD1-SD 3.44Å; L31-M34 WeakPolarHBondContact CD1-SD 3.4Å; L31-M34 HydrophobicContact CG-CE 4.33Å; L31-M34 HydrophobicContact CG-SD 4.26Å; L31-Y36 WeakPolarHBondContact CB-OH 3.4Å; L31-Y36 WeakPolarHBondContact CD1-OH 3.36Å
32R89.7Confident89.3Confident224 Ų22483 Ų8385%0.84539%0.389SS*.THydrogen-bonded Turntrans-78.2146.9178-65.2-177.8-177.5174.71.1109.8M34R32-M34 PolarHBondContact O-N 3.12Å
33N91.3Very high89.3Confident86 Ų8686.5 Ų86.546%0.4641%0.408SS..THydrogen-bonded Turntrans54.536.1177.4-50.5-34.3000113.1T4 I6 T7T4-N33 VanDerWaalsContact CG2-ND2 3.27Å; T4-N33 WeakPolarHBondContact CG2-ND2 3.35Å; I6-N33 WeakPolarHBondContact CA-O 3.19Å; T7-N33 PolarHBondContact N-O 3.32Å
34M91.7Very high89.6Confident71 Ų7186.3 Ų86.335%0.3540%0.404SS..EExtended strand (participates in β ladder)trans-128.7139.8173.9-65.6-163.3-156.300111.3T7 L31 R32 Y36T7-M34 VanDerWaalsContact O-CA 3.26Å; T7-M34 WeakPolarHBondContact O-CA 3.32Å; L31-M34 HydrophobicContact CB-CB 4.28Å; L31-M34 HydrophobicContact CB-CE 3.99Å; L31-M34 HydrophobicContact CB-CG 4.12Å; L31-M34 HydrophobicContact CB-SD 3.82Å; L31-M34 HydrophobicContact CD1-CE 3.56Å; L31-M34 HydrophobicContact CD1-SD 3.44Å; L31-M34 WeakPolarHBondContact CD1-SD 3.4Å; L31-M34 HydrophobicContact CG-CE 4.33Å; L31-M34 HydrophobicContact CG-SD 4.26Å; R32-M34 PolarHBondContact O-N 3.12Å; M34-Y36 HydrophobicContact CB-CE1 4.13Å; M34-Y36 HydrophobicContact CB-CE2 4.32Å; M34-Y36 WeakPolarHBondContact CB-OH 3.3Å; M34-Y36 HydrophobicContact SD-CE1 4.31Å
35E93.2Very high89.6Confident81 Ų8183.3 Ų83.338%0.37939%0.388SS..EExtended strand (participates in β ladder)trans-124.6149171.9-66.7-178.9-177.700109.6I6 T7 V8 I9 Y37I6-E35 HydrophobicContact CG2-CG 3.95Å; T7-E35 PolarHBondContact O-N 3.45Å; V8-E35 WeakPolarHBondContact CA-O 3.47Å; V8-E35 HydrophobicContact CG1-CB 4.33Å; V8-E35 HydrophobicContact CG2-CB 4.36Å; I9-E35 PolarHBondContact N-O 3.44Å; E35-Y37 HydrophobicContact CB-CE2 4.31Å
36Y92.1Very high89.5Confident39 Ų3983 Ų8315%0.15339%0.39CS..EExtended strand (participates in β ladder)trans-131131.3-175.7-45.8-77.4000110.3I9 F11 M26 L31 M34I9-Y36 HydrophobicContact CB-CD1 4.04Å; I9-Y36 HydrophobicContact CD1-CD1 4.42Å; I9-Y36 HydrophobicContact CD1-CE1 4.11Å; I9-Y36 WeakPolarHBondContact O-CA 3.38Å; F11-Y36 AromaticContact CE2-CD1 3.9Å; F11-Y36 HydrophobicContact CE2-CD1 3.9Å; F11-Y36 HydrophobicContact CE2-CG 4.49Å; M26-Y36 HydrophobicContact CB-CD1 4.26Å; M26-Y36 HydrophobicContact CB-CD2 4.05Å; M26-Y36 HydrophobicContact CB-CE1 4.43Å; M26-Y36 HydrophobicContact CB-CE2 4.22Å; M26-Y36 HydrophobicContact CB-CG 4.06Å; M26-Y36 HydrophobicContact CE-CD1 3.6Å; M26-Y36 HydrophobicContact CE-CE1 3.11Å; M26-Y36 HydrophobicContact CG-CD1 4.42Å; L31-Y36 WeakPolarHBondContact CB-OH 3.4Å; L31-Y36 WeakPolarHBondContact CD1-OH 3.36Å; M34-Y36 HydrophobicContact CB-CE1 4.13Å; M34-Y36 HydrophobicContact CB-CE2 4.32Å; M34-Y36 WeakPolarHBondContact CB-OH 3.3Å; M34-Y36 HydrophobicContact SD-CE1 4.31Å
37Y92.6Very high89.6Confident113 Ų11386.1 Ų86.144%0.44341%0.406SS..EExtended strand (participates in β ladder)trans-123.8141.8174.6-67.7-86.8000110V8 I9 H10 F11 E35V8-Y37 HydrophobicContact CG1-CD2 3.52Å; V8-Y37 HydrophobicContact CG1-CE2 3.58Å; I9-Y37 PolarHBondContact O-N 3.01Å; H10-Y37 AromaticContact CE1-CD2 3.93Å; F11-Y37 PolarHBondContact N-O 3.01Å; E35-Y37 HydrophobicContact CB-CE2 4.31Å
38F92.2Very high89.8Confident44 Ų4481.8 Ų81.819%0.19338%0.383CS..EExtended strand (participates in β ladder)trans-121.5123.5-177.3-66.2-95.2000110F11 V13 N19 L22 M23 M26F11-F38 HydrophobicContact CB-CD1 3.64Å; F11-F38 HydrophobicContact CB-CE1 3.82Å; F11-F38 HydrophobicContact CB-CG 4.33Å; F11-F38 HydrophobicContact CD2-CD1 4.09Å; F11-F38 AromaticContact CD2-CE1 3.53Å; F11-F38 HydrophobicContact CD2-CE1 3.53Å; F11-F38 HydrophobicContact CD2-CE2 4.2Å; F11-F38 AromaticContact CD2-CZ 3.58Å; F11-F38 HydrophobicContact CD2-CZ 3.58Å; F11-F38 HydrophobicContact CE2-CE1 4.25Å; F11-F38 AromaticContact CE2-CZ 4Å; F11-F38 HydrophobicContact CE2-CZ 4Å; F11-F38 HydrophobicContact CG-CD1 4.13Å; F11-F38 AromaticContact CG-CE1 3.79Å; F11-F38 HydrophobicContact CG-CE1 3.79Å; F11-F38 HydrophobicContact CG-CZ 4.31Å; F11-F38 WeakPolarHBondContact O-CA 3.42Å; V13-F38 HydrophobicContact CG1-CD1 4.21Å; N19-F38 WeakPolarHBondContact OD1-CD1 3.28Å; N19-F38 WeakPolarHBondContact OD1-CG 3.47Å; L22-F38 HydrophobicContact CB-CE1 4.34Å; L22-F38 HydrophobicContact CD2-CE1 4.03Å; L22-F38 HydrophobicContact CG-CE1 3.94Å; M23-F38 VanDerWaalsContact CA-CZ 3.48Å; M23-F38 HydrophobicContact CB-CD2 4.36Å; M23-F38 HydrophobicContact CB-CE1 4.1Å; M23-F38 HydrophobicContact CB-CE2 3.93Å; M23-F38 HydrophobicContact CB-CZ 3.8Å; M23-F38 HydrophobicContact CG-CD2 4.11Å; M23-F38 HydrophobicContact CG-CE2 3.77Å; M23-F38 HydrophobicContact CG-CZ 4.16Å; M23-F38 HydrophobicContact SD-CD2 4.38Å; M26-F38 HydrophobicContact CB-CZ 4.43Å; M26-F38 HydrophobicContact CG-CZ 4.14Å
39Y92Very high89.5Confident38 Ų3883.7 Ų83.715%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-113.6117.7-177.3-59-91.3000109.9H10 F11 L12 V13 C41 I70 L71 P72H10-Y39 HydrophobicContact CB-CD2 4.33Å; H10-Y39 HydrophobicContact CB-CE2 3.75Å; H10-Y39 AromaticContact CG-CE2 3.93Å; H10-Y39 AromaticContact ND1-CE2 3.35Å; H10-Y39 VanDerWaalsContact ND1-CE2 3.35Å; H10-Y39 WeakPolarHBondContact ND1-CE2 3.49Å; H10-Y39 AromaticContact ND1-CZ 3.56Å; H10-Y39 PolarHBondContact ND1-OH 3.49Å; F11-Y39 PolarHBondContact O-N 3.39Å; L12-Y39 HydrophobicContact CD2-CD2 4.23Å; L12-Y39 HydrophobicContact CD2-CG 4.42Å; V13-Y39 WeakPolarHBondContact CG2-O 3.34Å; V13-Y39 PolarHBondContact N-O 3.17Å; Y39-C41 PolarHBondContact O-N 3.36Å; Y39-C41 PolarHBondContact O-SG 2.93Å; Y39-C41 VanDerWaalsContact O-SG 3.41Å; Y39-I70 HydrophobicContact CD1-CG2 4.3Å; Y39-I70 HydrophobicContact CG-CG2 4.13Å; Y39-L71 HydrophobicContact CD2-CD2 4.49Å; Y39-L71 HydrophobicContact CE2-CD2 4.12Å; Y39-P72 HydrophobicContact CE1-CG 4.16Å; Y39-P72 WeakPolarHBondContact OH-CD 3.38Å
40N90.9Very high89.4Confident75 Ų7585.7 Ų85.740%0.40139%0.393SS..EExtended strand (participates in β ladder)trans-74.5112174-175.5-11.3000110V13 N42V13-N40 CarbonylContact O-C 3.27Å; V13-N40 WeakPolarHBondContact O-CA 3.21Å; N40-N42 WeakPolarHBondContact OD1-CB 3.46Å; N40-N42 PolarHBondContact OD1-N 2.89Å; N40-N42 VanDerWaalsContact OD1-N 3.1Å
41C91.8Very high89.4Confident0 Ų077.4 Ų77.40%036%0.357CS..  trans-93.12-172.8-66.70000114.3V13 T14 Y39 N43 Y44 L45 L63V13-C41 PolarHBondContact O-N 2.96Å; T14-C41 HydrophobicContact CG2-CB 4.32Å; Y39-C41 PolarHBondContact O-N 3.36Å; Y39-C41 PolarHBondContact O-SG 2.93Å; Y39-C41 VanDerWaalsContact O-SG 3.41Å; C41-N43 VanDerWaalsContact C-N 3.28Å; C41-N43 PolarHBondContact O-N 2.86Å; C41-Y44 PolarHBondContact O-N 2.97Å; C41-L45 PolarHBondContact O-N 2.9Å; C41-L63 HydrophobicContact CB-CD1 3.7Å; C41-L63 HydrophobicContact CB-CD2 3.75Å; C41-L63 HydrophobicContact CB-CG 4.39Å
42N88.8Confident88.9Confident65 Ų6580.1 Ų80.135%0.34837%0.372SS..Hα-helixtrans-59.1-37.4-174.9-85.1-14.9000114.1T14 N40 Y44 L45T14-N42 PolarHBondContact O-ND2 2.9Å; T14-N42 PolarHBondContact O-OD1 3.2Å; N40-N42 WeakPolarHBondContact OD1-CB 3.46Å; N40-N42 PolarHBondContact OD1-N 2.89Å; N40-N42 VanDerWaalsContact OD1-N 3.1Å; N42-Y44 PolarHBondContact O-N 3.44Å; N42-L45 PolarHBondContact O-N 3.19Å
43N88.5Confident88.2Confident130 Ų13071 Ų7170%0.69534%0.342SS*.Hα-helixtrans-73-18.9179.2-63-10.8000112.7C41 T46C41-N43 VanDerWaalsContact C-N 3.28Å; C41-N43 PolarHBondContact O-N 2.86Å; N43-T46 PolarHBondContact O-OG1 3.21Å
44Y92Very high87.5Confident64 Ų6474.6 Ų74.625%0.25135%0.35SS..Hα-helixtrans-86.6-29.3177.3-60.3-86.5000111.1C41 N42 T46 N47 M66 E69 I70C41-Y44 PolarHBondContact O-N 2.97Å; N42-Y44 PolarHBondContact O-N 3.44Å; Y44-T46 PolarHBondContact O-N 3.27Å; Y44-N47 WeakPolarHBondContact O-CB 3.48Å; Y44-N47 PolarHBondContact O-N 2.74Å; Y44-M66 HydrophobicContact CD1-CE 3.73Å; Y44-M66 HydrophobicContact CD1-SD 4.47Å; Y44-M66 HydrophobicContact CG-CE 4.37Å; Y44-M66 VanDerWaalsContact O-SD 3.35Å; Y44-E69 HydrophobicContact CD1-CB 4.45Å; Y44-E69 HydrophobicContact CE1-CB 4.09Å; Y44-E69 PolarHBondContact OH-O 3.43Å; Y44-I70 HydrophobicContact CD1-CG1 3.7Å; Y44-I70 HydrophobicContact CD2-CD1 4.47Å; Y44-I70 HydrophobicContact CD2-CG1 3.84Å; Y44-I70 HydrophobicContact CE1-CG1 3.79Å; Y44-I70 HydrophobicContact CE2-CG1 3.89Å; Y44-I70 HydrophobicContact CG-CD1 4.24Å; Y44-I70 HydrophobicContact CG-CG1 3.71Å
45L88.5Confident86.7Confident23 Ų2374.9 Ų74.912%0.1235%0.35CS..Hα-helixtrans-58.5-30.6175.8-68.9177.4000113.1T14 C41 N42 N47 L48 Q49 K60 L63T14-L45 HydrophobicContact CG2-CD1 3.88Å; C41-L45 PolarHBondContact O-N 2.9Å; N42-L45 PolarHBondContact O-N 3.19Å; L45-N47 VanDerWaalsContact C-N 3.32Å; L45-L48 PolarHBondContact O-N 3.29Å; L45-Q49 PolarHBondContact O-N 3.03Å; L45-K60 HydrophobicContact CD1-CG 4.32Å; L45-K60 HydrophobicContact CD2-CB 4.46Å; L45-K60 HydrophobicContact CD2-CG 4.04Å; L45-L63 HydrophobicContact CD2-CD1 3.79Å; L45-L63 HydrophobicContact CD2-CD2 3.86Å; L45-L63 HydrophobicContact CD2-CG 3.71Å; L45-L63 HydrophobicContact CG-CD1 4.47Å; L45-L63 HydrophobicContact CG-CD2 4.32Å
46T87.6Confident86Confident74 Ų7477.1 Ų77.145%0.45437%0.371SS..G310 helixtrans-66.4-34.1175.1500000112.3N43 Y44 L48 Q49N43-T46 PolarHBondContact O-OG1 3.21Å; Y44-T46 PolarHBondContact O-N 3.27Å; T46-L48 PolarHBondContact O-N 3.4Å; T46-Q49 WeakPolarHBondContact O-CB 3.26Å; T46-Q49 PolarHBondContact O-N 3.46Å
47N88.4Confident85.4Confident85 Ų8576.8 Ų76.846%0.45538%0.377SS..G310 helixtrans-71.2-13.3177.3-62.8-3.8000112.3Y44 L45 W50 M66Y44-N47 WeakPolarHBondContact O-CB 3.48Å; Y44-N47 PolarHBondContact O-N 2.74Å; L45-N47 VanDerWaalsContact C-N 3.32Å; N47-W50 PolarHBondContact O-NE1 2.92Å; N47-M66 HydrophobicContact CB-CE 3.69Å; N47-M66 HydrophobicContact CB-SD 4.14Å
48L87.7Confident85Confident9 Ų972.6 Ų72.65%0.04737%0.368CS..G310 helixtrans-102.6-1.6178.5-62166.8000112.7L45 T46 W50 I51 T59 F62 L63 M66L45-L48 PolarHBondContact O-N 3.29Å; T46-L48 PolarHBondContact O-N 3.4Å; L48-W50 PolarHBondContact O-N 3.08Å; L48-I51 HydrophobicContact CB-CD1 4.47Å; L48-I51 HydrophobicContact CD2-CD1 3.86Å; L48-I51 WeakPolarHBondContact O-CB 3.33Å; L48-I51 PolarHBondContact O-N 3.12Å; L48-T59 HydrophobicContact CB-CG2 4.43Å; L48-T59 WeakPolarHBondContact O-CG2 3.11Å; L48-F62 HydrophobicContact CD1-CB 3.99Å; L48-F62 HydrophobicContact CD2-CB 4.07Å; L48-F62 HydrophobicContact CG-CB 4.48Å; L48-L63 HydrophobicContact CD1-CD2 4.12Å; L48-L63 HydrophobicContact CD1-CG 4.36Å; L48-M66 HydrophobicContact CD1-CG 4.09Å; L48-M66 HydrophobicContact CD1-SD 3.61Å; L48-M66 HydrophobicContact CD2-CG 3.9Å; L48-M66 HydrophobicContact CD2-SD 3.79Å; L48-M66 HydrophobicContact CG-CG 4.17Å; L48-M66 HydrophobicContact CG-SD 3.49Å; L48-M66 WeakPolarHBondContact CG-SD 3.5Å
49Q82.8Confident84.7Confident137 Ų13771.7 Ų71.764%0.6437%0.366SS*.THydrogen-bonded Turntrans-64.7-19.4-177.4-76.9-179.8-4.500114L45 T46 I51L45-Q49 PolarHBondContact O-N 3.03Å; T46-Q49 WeakPolarHBondContact O-CB 3.26Å; T46-Q49 PolarHBondContact O-N 3.46Å; Q49-I51 PolarHBondContact O-N 2.96Å
50W84.7Confident84.4Confident193 Ų19375 Ų7573%0.73138%0.381SS*.THydrogen-bonded Turntrans-68.7-19.4173.366.7-92.4000112.3N47 L48 N52 I131N47-W50 PolarHBondContact O-NE1 2.92Å; L48-W50 PolarHBondContact O-N 3.08Å; W50-N52 PolarHBondContact O-N 2.74Å; W50-I131 HydrophobicContact CH2-CD1 4.27Å
51I82.6Confident84Confident5 Ų573.9 Ų73.93%0.02638%0.378CS..SBendtrans-81.6108.8173.4-48.3176000107.9L48 Q49 S53 F62 W128 I131L48-I51 HydrophobicContact CB-CD1 4.47Å; L48-I51 HydrophobicContact CD2-CD1 3.86Å; L48-I51 WeakPolarHBondContact O-CB 3.33Å; L48-I51 PolarHBondContact O-N 3.12Å; Q49-I51 PolarHBondContact O-N 2.96Å; I51-S53 PolarHBondContact O-N 2.82Å; I51-F62 HydrophobicContact CB-CD2 4.22Å; I51-F62 HydrophobicContact CB-CE2 4.29Å; I51-F62 HydrophobicContact CD1-CB 4.05Å; I51-F62 HydrophobicContact CD1-CD2 3.91Å; I51-F62 HydrophobicContact CD1-CG 3.91Å; I51-F62 HydrophobicContact CG2-CD2 3.95Å; I51-F62 HydrophobicContact CG2-CE2 3.62Å; I51-F62 HydrophobicContact CG2-CZ 4.08Å; I51-W128 HydrophobicContact CG2-CB 3.99Å; I51-W128 HydrophobicContact CG2-CD2 4.2Å; I51-W128 HydrophobicContact CG2-CE3 3.67Å; I51-W128 HydrophobicContact CG2-CG 4.23Å; I51-I131 HydrophobicContact CD1-CD1 4.38Å; I51-I131 HydrophobicContact CG2-CD1 4.29Å
52N77.2Confident83.7Confident127 Ų12774.1 Ų74.168%0.67938%0.379SS*.  trans-77.381.2-169-178.324.3000113.7W50 R54 W128W50-N52 PolarHBondContact O-N 2.74Å; N52-R54 PolarHBondContact O-N 3.35Å; N52-W128 VanDerWaalsContact C-CD2 3.45Å; N52-W128 PolarHBondContact O-NE1 3.48Å
53S75.5Confident83.7Confident31 Ų3171.6 Ų71.622%0.21737%0.366CS..  trans-76.4115.6-170.8-178.80000119.2I51 H55 G58 W128I51-S53 PolarHBondContact O-N 2.82Å; S53-H55 PolarHBondContact OG-N 2.97Å; S53-G58 WeakPolarHBondContact CB-O 3.38Å; S53-G58 WeakPolarHBondContact OG-CA 3.31Å; S53-G58 PolarHBondContact OG-O 3.09Å; S53-W128 VanDerWaalsContact C-CZ2 3.45Å; S53-W128 WeakPolarHBondContact OG-CH2 3.39Å; S53-W128 WeakPolarHBondContact OG-CZ3 3.45Å
54R76.7Confident83.7Confident162 Ų16268.8 Ų68.861%0.61135%0.347SS*.  trans-79-16.1159.5-49.7-175.1-178.8158.6-4115.7N52 D127 W128N52-R54 PolarHBondContact O-N 3.35Å; R54-D127 WeakPolarHBondContact CD-OD1 3.23Å; R54-D127 IonicContact CZ-OD1 2.93Å; R54-D127 IonicContact NE-OD1 3.33Å; R54-D127 IonicContact NH1-OD1 3.73Å; R54-D127 PolarHBondContact NH1-OD1 3.23Å; R54-D127 IonicContact NH1-OD2 2.9Å; R54-D127 PolarHBondContact NH1-OD2 3.18Å; R54-W128 HydrophobicContact CB-CZ2 3.64Å; R54-W128 HydrophobicContact CG-CZ2 4.01Å; R54-W128 VanDerWaalsContact N-CE2 3.29Å
55H74.2Confident83.5Confident77 Ų7769.1 Ų69.136%0.35635%0.353SS..SBendtrans-68.7140.2-178.1-177.4-96.5000109S53 A57 G58 W128 E129S53-H55 PolarHBondContact OG-N 2.97Å; H55-A57 VanDerWaalsContact ND1-CB 3.25Å; H55-A57 WeakPolarHBondContact ND1-CB 3.01Å; H55-A57 PolarHBondContact ND1-N 3.44Å; H55-A57 PolarHBondContact O-N 2.05Å; H55-G58 PolarHBondContact O-N 3.06Å; H55-W128 HydrophobicContact CB-CH2 3.7Å; H55-W128 HydrophobicContact CB-CZ3 4.44Å; H55-E129 WeakPolarHBondContact CA-OE1 3.02Å; H55-E129 HydrophobicContact CB-CG 4.11Å; H55-E129 WeakPolarHBondContact CB-OE1 3.11Å; H55-E129 PolarHBondContact N-OE1 2.91Å
56P78.9Confident83.6Confident128 Ų12868.5 Ų68.583%0.83135%0.35SS*.THydrogen-bonded Turntrans-55.7-27.8-178-28.535.6000114.6G58P56-G58 VanDerWaalsContact C-N 3.26Å; P56-G58 PolarHBondContact O-N 3.19Å
57A79.5Confident83.9Confident33 Ų3366.4 Ų66.427%0.27334%0.336SS..THydrogen-bonded Turntrans-77.7-4.9176.500000114.4H55 K60 P61H55-A57 VanDerWaalsContact ND1-CB 3.25Å; H55-A57 WeakPolarHBondContact ND1-CB 3.01Å; H55-A57 PolarHBondContact ND1-N 3.44Å; H55-A57 PolarHBondContact O-N 2.05Å; A57-K60 WeakPolarHBondContact O-CD 3.27Å; A57-K60 WeakPolarHBondContact O-CG 3.41Å; A57-P61 HydrophobicContact CB-CG 4.08Å
58G84Confident84.1Confident25 Ų2568.5 Ų68.526%0.25835%0.352SS..THydrogen-bonded Turntrans65.8-135.2-17500000111.5S53 H55 P56 K60 P61S53-G58 WeakPolarHBondContact CB-O 3.38Å; S53-G58 WeakPolarHBondContact OG-CA 3.31Å; S53-G58 PolarHBondContact OG-O 3.09Å; H55-G58 PolarHBondContact O-N 3.06Å; P56-G58 VanDerWaalsContact C-N 3.26Å; P56-G58 PolarHBondContact O-N 3.19Å; G58-K60 VanDerWaalsContact C-N 3.34Å; G58-P61 WeakPolarHBondContact O-CD 3Å
59T85.5Confident84.5Confident25 Ų2573.5 Ų73.515%0.15338%0.375CS..THydrogen-bonded Turntrans-84.4-3.9-176.755.70000114.5L48 P61 F62L48-T59 HydrophobicContact CB-CG2 4.43Å; L48-T59 WeakPolarHBondContact O-CG2 3.11Å; T59-P61 VanDerWaalsContact C-CD 3.43Å; T59-F62 WeakPolarHBondContact O-CB 3.19Å; T59-F62 WeakPolarHBondContact O-CD2 3.31Å; T59-F62 PolarHBondContact O-N 2.99Å
60K86.1Confident85.1Confident106 Ų10667.4 Ų67.446%0.46135%0.346SS..G310 helixtrans-56.7-40-176.2-61.5171.7-170.2146.70114.3T14 L45 A57 G58 F62 L63T14-K60 HydrophobicContact CG2-CG 4.4Å; L45-K60 HydrophobicContact CD1-CG 4.32Å; L45-K60 HydrophobicContact CD2-CB 4.46Å; L45-K60 HydrophobicContact CD2-CG 4.04Å; A57-K60 WeakPolarHBondContact O-CD 3.27Å; A57-K60 WeakPolarHBondContact O-CG 3.41Å; G58-K60 VanDerWaalsContact C-N 3.34Å; K60-F62 PolarHBondContact O-N 3.16Å; K60-F62 VanDerWaalsContact O-N 3.16Å; K60-L63 WeakPolarHBondContact O-CB 3.43Å; K60-L63 WeakPolarHBondContact O-CG 3.47Å; K60-L63 PolarHBondContact O-N 3.37Å
61P82.8Confident85.6Confident52 Ų5259.1 Ų59.134%0.33832%0.316SS..G310 helixtrans-57.5-28.8176.7-2636.9000113.3A57 G58 T59 L63A57-P61 HydrophobicContact CB-CG 4.08Å; G58-P61 WeakPolarHBondContact O-CD 3Å; T59-P61 VanDerWaalsContact C-CD 3.43Å; P61-L63 VanDerWaalsContact C-N 3.27Å; P61-L63 PolarHBondContact O-N 2.88Å
62F85.5Confident86.3Confident5 Ų561.2 Ų61.22%0.02233%0.33CS..G310 helixtrans-79.1-3.4179.7-49.8-52.2000114.3L48 I51 T59 K60 K64 L65 W128 I131L48-F62 HydrophobicContact CD1-CB 3.99Å; L48-F62 HydrophobicContact CD2-CB 4.07Å; L48-F62 HydrophobicContact CG-CB 4.48Å; I51-F62 HydrophobicContact CB-CD2 4.22Å; I51-F62 HydrophobicContact CB-CE2 4.29Å; I51-F62 HydrophobicContact CD1-CB 4.05Å; I51-F62 HydrophobicContact CD1-CD2 3.91Å; I51-F62 HydrophobicContact CD1-CG 3.91Å; I51-F62 HydrophobicContact CG2-CD2 3.95Å; I51-F62 HydrophobicContact CG2-CE2 3.62Å; I51-F62 HydrophobicContact CG2-CZ 4.08Å; T59-F62 WeakPolarHBondContact O-CB 3.19Å; T59-F62 WeakPolarHBondContact O-CD2 3.31Å; T59-F62 PolarHBondContact O-N 2.99Å; K60-F62 PolarHBondContact O-N 3.16Å; K60-F62 VanDerWaalsContact O-N 3.16Å; F62-K64 PolarHBondContact O-N 2.85Å; F62-K64 VanDerWaalsContact O-N 3.12Å; F62-L65 HydrophobicContact CB-CD1 4.29Å; F62-L65 HydrophobicContact CD1-CD1 4.43Å; F62-L65 VanDerWaalsContact O-CB 3.31Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-W128 WeakPolarHBondContact CE1-O 3.33Å; F62-W128 AromaticContact CE2-CE3 3.34Å; F62-W128 HydrophobicContact CE2-CE3 3.34Å; F62-W128 AromaticContact CE2-CZ3 3.29Å; F62-W128 HydrophobicContact CE2-CZ3 3.29Å; F62-W128 AromaticContact CZ-CE3 3.26Å; F62-W128 HydrophobicContact CZ-CE3 3.26Å; F62-W128 HydrophobicContact CZ-CH2 4.42Å; F62-W128 AromaticContact CZ-CZ3 3.2Å; F62-W128 HydrophobicContact CZ-CZ3 3.2Å; F62-W128 WeakPolarHBondContact CZ-O 3.28Å; F62-I131 HydrophobicContact CD1-CG2 3.42Å; F62-I131 VanDerWaalsContact CD1-CG2 3.42Å; F62-I131 HydrophobicContact CE1-CB 4.43Å; F62-I131 HydrophobicContact CE1-CG2 3.3Å; F62-I131 HydrophobicContact CG-CG2 4.37Å; F62-I131 HydrophobicContact CZ-CG2 4.14Å
63L89.4Confident87.2Confident12 Ų1262.3 Ų62.36%0.06334%0.342CS..G310 helixtrans-57-27171.8-78170.4000112.1L12 T14 C41 L45 L48 K60 P61 L65 M66 I70L12-L63 HydrophobicContact CD1-CB 4.47Å; T14-L63 HydrophobicContact CG2-CD1 3.85Å; C41-L63 HydrophobicContact CB-CD1 3.7Å; C41-L63 HydrophobicContact CB-CD2 3.75Å; C41-L63 HydrophobicContact CB-CG 4.39Å; L45-L63 HydrophobicContact CD2-CD1 3.79Å; L45-L63 HydrophobicContact CD2-CD2 3.86Å; L45-L63 HydrophobicContact CD2-CG 3.71Å; L45-L63 HydrophobicContact CG-CD1 4.47Å; L45-L63 HydrophobicContact CG-CD2 4.32Å; L48-L63 HydrophobicContact CD1-CD2 4.12Å; L48-L63 HydrophobicContact CD1-CG 4.36Å; K60-L63 WeakPolarHBondContact O-CB 3.43Å; K60-L63 WeakPolarHBondContact O-CG 3.47Å; K60-L63 PolarHBondContact O-N 3.37Å; P61-L63 VanDerWaalsContact C-N 3.27Å; P61-L63 PolarHBondContact O-N 2.88Å; L63-L65 PolarHBondContact O-N 2.85Å; L63-M66 PolarHBondContact O-N 3.24Å; L63-I70 HydrophobicContact CD2-CD1 4.05Å
64K88.8Confident88.2Confident71 Ų7167.3 Ų67.331%0.30937%0.366SS..G310 helixtrans-57.9-28.6172.9-61-178.7-177.9-179.90112.8F62 M66 L67 V80 D82 L132F62-K64 PolarHBondContact O-N 2.85Å; F62-K64 VanDerWaalsContact O-N 3.12Å; K64-M66 VanDerWaalsContact C-N 3.28Å; K64-M66 PolarHBondContact O-N 3.26Å; K64-L67 VanDerWaalsContact O-CD1 3.23Å; K64-L67 WeakPolarHBondContact O-CD1 3.36Å; K64-L67 VanDerWaalsContact O-CG 3.24Å; K64-L67 WeakPolarHBondContact O-CG 3.41Å; K64-V80 HydrophobicContact CD-CG1 4.13Å; K64-V80 HydrophobicContact CG-CG1 4.06Å; K64-D82 WeakPolarHBondContact CE-OD1 3.36Å; K64-D82 IonicContact NZ-OD1 3.58Å; K64-D82 PolarHBondContact NZ-OD1 3.3Å; K64-D82 IonicContact NZ-OD2 2.63Å; K64-D82 PolarHBondContact NZ-OD2 2.97Å; K64-L132 HydrophobicContact CB-CD1 4.34Å
65L87.1Confident89.2Confident71 Ų7161.8 Ų61.837%0.37235%0.349SS..G310 helixtrans-75.1-17.8176.1-66173.8000113.1F62 L63 I131 L132F62-L65 HydrophobicContact CB-CD1 4.29Å; F62-L65 HydrophobicContact CD1-CD1 4.43Å; F62-L65 VanDerWaalsContact O-CB 3.31Å; F62-L65 WeakPolarHBondContact O-CB 3.43Å; F62-L65 PolarHBondContact O-N 2.98Å; L63-L65 PolarHBondContact O-N 2.85Å; L65-I131 HydrophobicContact CD1-CG2 4.09Å; L65-L132 HydrophobicContact CD2-CD1 3.45Å; L65-L132 VanDerWaalsContact CD2-CD1 3.45Å; L65-L132 HydrophobicContact CD2-CG 4.43Å; L65-L132 HydrophobicContact CG-CD1 3.81Å
66M91.2Very high90.2Very high11 Ų1163.6 Ų63.65%0.05437%0.37CS..G310 helixtrans-101.112.5-176.8-62.8-164.276.300113.2Y44 N47 L48 L63 K64 T68 E69 I70Y44-M66 HydrophobicContact CD1-CE 3.73Å; Y44-M66 HydrophobicContact CD1-SD 4.47Å; Y44-M66 HydrophobicContact CG-CE 4.37Å; Y44-M66 VanDerWaalsContact O-SD 3.35Å; N47-M66 HydrophobicContact CB-CE 3.69Å; N47-M66 HydrophobicContact CB-SD 4.14Å; L48-M66 HydrophobicContact CD1-CG 4.09Å; L48-M66 HydrophobicContact CD1-SD 3.61Å; L48-M66 HydrophobicContact CD2-CG 3.9Å; L48-M66 HydrophobicContact CD2-SD 3.79Å; L48-M66 HydrophobicContact CG-CG 4.17Å; L48-M66 HydrophobicContact CG-SD 3.49Å; L48-M66 WeakPolarHBondContact CG-SD 3.5Å; L63-M66 PolarHBondContact O-N 3.24Å; K64-M66 VanDerWaalsContact C-N 3.28Å; K64-M66 PolarHBondContact O-N 3.26Å; M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.86Å; M66-E69 WeakPolarHBondContact CE-OE2 3.43Å; M66-E69 PolarHBondContact O-N 3.02Å; M66-I70 HydrophobicContact CB-CD1 3.72Å; M66-I70 HydrophobicContact CB-CG1 4.17Å; M66-I70 VanDerWaalsContact O-CG1 3.28Å; M66-I70 WeakPolarHBondContact O-CG1 3.31Å; M66-I70 PolarHBondContact O-N 3.17Å
67L93.4Very high91Very high29 Ų2961 Ų6115%0.15235%0.345CS..Hα-helixtrans-57.9-38-174.4-74.9169.3000113.3L12 K64 E69 I70 L71 V80L12-L67 HydrophobicContact CD1-CD2 3.83Å; K64-L67 VanDerWaalsContact O-CD1 3.23Å; K64-L67 WeakPolarHBondContact O-CD1 3.36Å; K64-L67 VanDerWaalsContact O-CG 3.24Å; K64-L67 WeakPolarHBondContact O-CG 3.41Å; L67-E69 PolarHBondContact O-N 2.99Å; L67-I70 PolarHBondContact O-N 3.32Å; L67-L71 HydrophobicContact CB-CD1 4.45Å; L67-L71 HydrophobicContact CD2-CD1 4.23Å; L67-L71 HydrophobicContact CD2-CG 4.45Å; L67-L71 VanDerWaalsContact O-CB 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 2.91Å; L67-V80 HydrophobicContact CD1-CB 4.44Å; L67-V80 HydrophobicContact CD1-CG1 4.4Å; L67-V80 HydrophobicContact CD1-CG2 3.22Å
68T92.9Very high91.8Very high130 Ų13062 Ų6280%0.79835%0.348SS*.Hα-helixtrans-68.4-21.9178.452.30000113.2M66M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.86Å
69E94.8Very high92.4Very high114 Ų11462.8 Ų62.853%0.53335%0.346SS..Hα-helixtrans-90.3-33.5172.8-63.6-170.1-172.300112.3Y44 M66 L67Y44-E69 HydrophobicContact CD1-CB 4.45Å; Y44-E69 HydrophobicContact CE1-CB 4.09Å; Y44-E69 PolarHBondContact OH-O 3.43Å; M66-E69 WeakPolarHBondContact CE-OE2 3.43Å; M66-E69 PolarHBondContact O-N 3.02Å; L67-E69 PolarHBondContact O-N 2.99Å
70I95.5Very high92.9Very high8 Ų865 Ų654%0.04136%0.359CS..Hα-helixtrans-79.1-41.5-175.9-65.4163.7000111.5L12 Y39 Y44 L63 M66 L67L12-I70 HydrophobicContact CD1-CD1 4.4Å; L12-I70 HydrophobicContact CD2-CG2 3.69Å; Y39-I70 HydrophobicContact CD1-CG2 4.3Å; Y39-I70 HydrophobicContact CG-CG2 4.13Å; Y44-I70 HydrophobicContact CD1-CG1 3.7Å; Y44-I70 HydrophobicContact CD2-CD1 4.47Å; Y44-I70 HydrophobicContact CD2-CG1 3.84Å; Y44-I70 HydrophobicContact CE1-CG1 3.79Å; Y44-I70 HydrophobicContact CE2-CG1 3.89Å; Y44-I70 HydrophobicContact CG-CD1 4.24Å; Y44-I70 HydrophobicContact CG-CG1 3.71Å; L63-I70 HydrophobicContact CD2-CD1 4.05Å; M66-I70 HydrophobicContact CB-CD1 3.72Å; M66-I70 HydrophobicContact CB-CG1 4.17Å; M66-I70 VanDerWaalsContact O-CG1 3.28Å; M66-I70 WeakPolarHBondContact O-CG1 3.31Å; M66-I70 PolarHBondContact O-N 3.17Å; L67-I70 PolarHBondContact O-N 3.32Å
71L96.8Very high93.3Very high19 Ų1963.7 Ų63.710%0.09936%0.357CS..SBendtrans-82.5148.4-174.1-65.4179.6000112H10 Y39 L67 I75 V78H10-L71 HydrophobicContact CB-CD2 4.02Å; Y39-L71 HydrophobicContact CD2-CD2 4.49Å; Y39-L71 HydrophobicContact CE2-CD2 4.12Å; L67-L71 HydrophobicContact CB-CD1 4.45Å; L67-L71 HydrophobicContact CD2-CD1 4.23Å; L67-L71 HydrophobicContact CD2-CG 4.45Å; L67-L71 VanDerWaalsContact O-CB 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 2.91Å; L71-I75 HydrophobicContact CB-CD1 4.35Å; L71-I75 HydrophobicContact CD2-CD1 4.5Å; L71-V78 HydrophobicContact CD1-CB 4.19Å; L71-V78 HydrophobicContact CD1-CG1 3.95Å; L71-V78 HydrophobicContact CD1-CG2 4.09Å
72P96.8Very high93.6Very high49 Ų4964.8 Ų64.832%0.31836%0.36SS..  trans-55.4141.8173.2-27.435.4000113.1Y39 N74 I75Y39-P72 HydrophobicContact CE1-CG 4.16Å; Y39-P72 WeakPolarHBondContact OH-CD 3.38Å; P72-N74 WeakPolarHBondContact CB-OD1 3.38Å; P72-N74 PolarHBondContact O-N 2.96Å; P72-N74 VanDerWaalsContact O-N 3.08Å; P72-I75 HydrophobicContact CB-CD1 4.44Å; P72-I75 HydrophobicContact CB-CG1 4.36Å; P72-I75 HydrophobicContact CG-CD1 4.26Å; P72-I75 WeakPolarHBondContact O-CB 3.26Å; P72-I75 PolarHBondContact O-N 3.06Å
73T96.4Very high93.8Very high151 Ų15171.8 Ų71.893%0.92640%0.403SS*.THydrogen-bonded Turntrans-66.2-12.6-175.854.50000114.8I75T73-I75 VanDerWaalsContact C-N 3.31Å
74N96.3Very high93.9Very high136 Ų13677.7 Ų77.773%0.72744%0.435SS*.THydrogen-bonded Turntrans-83.2-5.7173.467.3-54.9000113.3P72P72-N74 WeakPolarHBondContact CB-OD1 3.38Å; P72-N74 PolarHBondContact O-N 2.96Å; P72-N74 VanDerWaalsContact O-N 3.08Å
75I96.6Very high94.1Very high46 Ų4677.8 Ų77.824%0.23644%0.438CS..  trans-87.5113.5174-58.1-175.9000108.7H10 L71 P72 T73 K77 V78H10-I75 WeakPolarHBondContact CE1-CD1 3.43Å; L71-I75 HydrophobicContact CB-CD1 4.35Å; L71-I75 HydrophobicContact CD2-CD1 4.5Å; P72-I75 HydrophobicContact CB-CD1 4.44Å; P72-I75 HydrophobicContact CB-CG1 4.36Å; P72-I75 HydrophobicContact CG-CD1 4.26Å; P72-I75 WeakPolarHBondContact O-CB 3.26Å; P72-I75 PolarHBondContact O-N 3.06Å; T73-I75 VanDerWaalsContact C-N 3.31Å; I75-K77 WeakPolarHBondContact CG2-O 3.45Å; I75-V78 HydrophobicContact CG2-CB 4.48Å
76S95Very high94.4Very high115 Ų11581.5 Ų81.580%0.80446%0.457SS*.  trans-97.7-22.5-177.357.70000114.4
77K96.4Very high94.4Very high73 Ų7385.2 Ų85.232%0.31748%0.477SS..  trans-141.5138.2-178.4-68171.9-178.4173.50108.7I75 W95 F98 E99I75-K77 WeakPolarHBondContact CG2-O 3.45Å; K77-W95 HydrophobicContact CB-CH2 3.82Å; K77-W95 HydrophobicContact CB-CZ2 4.06Å; K77-W95 HydrophobicContact CD-CZ2 4.46Å; K77-F98 HydrophobicContact CB-CD1 4.41Å; K77-F98 HydrophobicContact CB-CD2 4.16Å; K77-F98 HydrophobicContact CB-CE1 4.16Å; K77-F98 HydrophobicContact CB-CE2 3.91Å; K77-F98 HydrophobicContact CB-CG 4.42Å; K77-F98 HydrophobicContact CB-CZ 3.92Å; K77-F98 HydrophobicContact CD-CB 3.85Å; K77-F98 HydrophobicContact CD-CD1 4.06Å; K77-F98 HydrophobicContact CD-CD2 3.96Å; K77-F98 HydrophobicContact CD-CG 3.7Å; K77-F98 HydrophobicContact CG-CD1 3.99Å; K77-F98 HydrophobicContact CG-CD2 4.31Å; K77-F98 HydrophobicContact CG-CE1 4.15Å; K77-F98 HydrophobicContact CG-CE2 4.46Å; K77-F98 HydrophobicContact CG-CG 4.09Å; K77-F98 HydrophobicContact CG-CZ 4.39Å; K77-E99 IonicContact NZ-OE1 3.32Å; K77-E99 PolarHBondContact NZ-OE1 2.95Å
78V97.1Very high94.2Very high53 Ų5389.4 Ų89.432%0.32150%0.499SS..  trans-147.7139.9176.366.10000109.9L71 I75L71-V78 HydrophobicContact CD1-CB 4.19Å; L71-V78 HydrophobicContact CD1-CG1 3.95Å; L71-V78 HydrophobicContact CD1-CG2 4.09Å; I75-V78 HydrophobicContact CG2-CB 4.48Å
79I96.9Very high94.1Very high43 Ų4386.4 Ų86.422%0.22148%0.481CS..  trans-96.7125.8168.4-61.2171.5000107.3L81 I91 L94 W95 F98I79-L81 HydrophobicContact CG2-CD2 3.77Å; I79-L81 HydrophobicContact CG2-CG 4.1Å; I79-I91 HydrophobicContact CD1-CG1 4.24Å; I79-L94 HydrophobicContact CD1-CB 4.28Å; I79-L94 HydrophobicContact CD1-CD2 4.08Å; I79-L94 HydrophobicContact CD1-CG 3.9Å; I79-L94 HydrophobicContact CG2-CD2 3.9Å; I79-W95 HydrophobicContact CD1-CB 4.24Å; I79-W95 HydrophobicContact CD1-CE3 3.82Å; I79-W95 HydrophobicContact CG1-CE3 4.07Å; I79-W95 HydrophobicContact CG1-CZ3 4.48Å; I79-F98 HydrophobicContact CG1-CE2 4.03Å
80V94.9Very high93.9Very high70 Ų7085.7 Ų85.742%0.42448%0.481SS..  trans-95.8118.1177-172.40000107.9K64 L67K64-V80 HydrophobicContact CD-CG1 4.13Å; K64-V80 HydrophobicContact CG-CG1 4.06Å; L67-V80 HydrophobicContact CD1-CB 4.44Å; L67-V80 HydrophobicContact CD1-CG1 4.4Å; L67-V80 HydrophobicContact CD1-CG2 3.22Å
81L94.2Very high93.8Very high79 Ų7987.4 Ų87.441%0.41449%0.49SS..  trans-111.3138.4178-61.4177000109.7I79 I85 I91I79-L81 HydrophobicContact CG2-CD2 3.77Å; I79-L81 HydrophobicContact CG2-CG 4.1Å; L81-I85 HydrophobicContact CB-CG1 4.34Å; L81-I85 HydrophobicContact CD1-CD1 4.28Å; L81-I91 HydrophobicContact CD1-CD1 3.84Å
82D90.3Very high93.6Very high75 Ų7588.8 Ų88.840%0.40150%0.497SS..  trans-73.1160.3166.8-78.6-46.2000111.6K64 D84 I85K64-D82 WeakPolarHBondContact CE-OD1 3.36Å; K64-D82 IonicContact NZ-OD1 3.58Å; K64-D82 PolarHBondContact NZ-OD1 3.3Å; K64-D82 IonicContact NZ-OD2 2.63Å; K64-D82 PolarHBondContact NZ-OD2 2.97Å; D82-D84 VanDerWaalsContact C-N 3.26Å; D82-D84 WeakPolarHBondContact CB-OD1 3.44Å; D82-D84 PolarHBondContact O-N 2.89Å; D82-I85 HydrophobicContact CB-CG2 4Å; D82-I85 WeakPolarHBondContact O-CG1 3.44Å
83T89Confident93.5Very high152 Ų15291.1 Ų91.193%0.93350%0.504SS*.THydrogen-bonded Turntrans-80.6-8.1-177.551.70000113.7
84D91.1Very high93.4Very high137 Ų13784.9 Ų84.973%0.73346%0.464SS*.THydrogen-bonded Turntrans-106.522.4-178.157.6-4.9000112.8D82D82-D84 VanDerWaalsContact C-N 3.26Å; D82-D84 WeakPolarHBondContact CB-OD1 3.44Å; D82-D84 PolarHBondContact O-N 2.89Å
85I93.5Very high93.4Very high72 Ų7283.4 Ų83.437%0.36945%0.449SS..  trans-95.2155.3179.465.897.6000113L81 D82 L87L81-I85 HydrophobicContact CB-CG1 4.34Å; L81-I85 HydrophobicContact CD1-CD1 4.28Å; D82-I85 HydrophobicContact CB-CG2 4Å; D82-I85 WeakPolarHBondContact O-CG1 3.44Å; I85-L87 HydrophobicContact CD1-CD2 3.92Å; I85-L87 HydrophobicContact CD1-CG 3.76Å
86L92.8Very high93.4Very high149 Ų14985.4 Ų85.478%0.7846%0.46SS*.  trans-122126.5166.8-179.867.6000109.2
87L91.7Very high93.5Very high90 Ų9081.2 Ų81.247%0.47143%0.427SS..  trans-88.6129.4173-63.8174.3000110I85 I91I85-L87 HydrophobicContact CD1-CD2 3.92Å; I85-L87 HydrophobicContact CD1-CG 3.76Å; L87-I91 HydrophobicContact CD1-CD1 4.03Å; L87-I91 HydrophobicContact CD2-CD1 4.22Å
88N90.1Very high93.6Very high116 Ų11679.4 Ų79.462%0.6242%0.42SS*.  trans-120.85.9179.9-168.856.8000114W167N88-W167 HydrophobicContact CB-CE3 4.48Å; N88-W167 HydrophobicContact CB-CH2 4.18Å; N88-W167 HydrophobicContact CB-CZ3 3.49Å; N88-W167 VanDerWaalsContact CB-CZ3 3.49Å; N88-W167 VanDerWaalsContact CG-CZ3 3.45Å; N88-W167 VanDerWaalsContact ND2-CZ3 3.27Å; N88-W167 WeakPolarHBondContact ND2-CZ3 3.49Å
89T89.7Confident93.5Very high68 Ų6883.3 Ų83.342%0.41743%0.434SS..SBendtrans-146.5172.6172.7-168.70000109.5I91 W150T89-I91 PolarHBondContact O-N 3.01Å; T89-W150 HydrophobicContact CG2-CH2 3.4Å; T89-W150 HydrophobicContact CG2-CZ3 3.41Å; T89-W150 VanDerWaalsContact CG2-CZ3 3.41Å
90D91Very high93.6Very high99 Ų9985.9 Ų85.953%0.52945%0.448SS..  trans-67.1123.5176-166-27.7000110.2I92 E93D90-I92 HydrophobicContact CB-CG2 4.04Å; D90-I92 VanDerWaalsContact CG-CG2 3.41Å; D90-I92 PolarHBondContact O-N 3.38Å; D90-I92 VanDerWaalsContact O-N 3.11Å; D90-I92 WeakPolarHBondContact OD1-CG2 3.41Å; D90-I92 PolarHBondContact OD1-N 2.85Å; D90-E93 WeakPolarHBondContact O-CB 3.39Å; D90-E93 PolarHBondContact O-N 3.38Å; D90-E93 VanDerWaalsContact O-N 3.12Å
91I92.5Very high93.7Very high44 Ų4484.5 Ų84.523%0.22644%0.437CS..Hα-helixtrans-65.6-15-177.8-161.7157.8000113I79 L81 L87 T89 E93 L94 W95I79-I91 HydrophobicContact CD1-CG1 4.24Å; L81-I91 HydrophobicContact CD1-CD1 3.84Å; L87-I91 HydrophobicContact CD1-CD1 4.03Å; L87-I91 HydrophobicContact CD2-CD1 4.22Å; T89-I91 PolarHBondContact O-N 3.01Å; I91-E93 PolarHBondContact O-N 2.99Å; I91-L94 HydrophobicContact CG1-CB 4.37Å; I91-L94 WeakPolarHBondContact O-CB 3.07Å; I91-L94 PolarHBondContact O-N 3.47Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I91-W95 PolarHBondContact O-N 3.21Å
92I92.8Very high93.8Very high48 Ų4883.3 Ų83.325%0.24644%0.435CS..Hα-helixtrans-60.1-31.5173-16462.1000112Y5 D90 W95 N96Y5-I92 HydrophobicContact CD2-CD1 4.24Å; Y5-I92 HydrophobicContact CE2-CD1 4.37Å; D90-I92 HydrophobicContact CB-CG2 4.04Å; D90-I92 VanDerWaalsContact CG-CG2 3.41Å; D90-I92 PolarHBondContact O-N 3.38Å; D90-I92 VanDerWaalsContact O-N 3.11Å; D90-I92 WeakPolarHBondContact OD1-CG2 3.41Å; D90-I92 PolarHBondContact OD1-N 2.85Å; I92-W95 HydrophobicContact CD1-CB 4.27Å; I92-W95 HydrophobicContact CD1-CG 4.41Å; I92-W95 WeakPolarHBondContact O-CB 3.37Å; I92-W95 PolarHBondContact O-N 3.05Å; I92-N96 PolarHBondContact O-N 3Å; I92-N96 PolarHBondContact O-ND2 3.41Å; I92-N96 PolarHBondContact O-OD1 3.08Å
93E94.4Very high94Very high98 Ų9889.6 Ų89.646%0.45846%0.462SS..Hα-helixtrans-66.2-40.4176.9-70.8175.9-149.200110.8D90 I91 N96 H97 W150D90-E93 WeakPolarHBondContact O-CB 3.39Å; D90-E93 PolarHBondContact O-N 3.38Å; D90-E93 VanDerWaalsContact O-N 3.12Å; I91-E93 PolarHBondContact O-N 2.99Å; E93-N96 PolarHBondContact O-N 3.27Å; E93-H97 PolarHBondContact O-CD2 3.4Å; E93-W150 HydrophobicContact CB-CH2 3.51Å; E93-W150 HydrophobicContact CB-CZ2 3.65Å
94L96Very high94.3Very high20 Ų2086.5 Ų86.511%0.10544%0.443CS..Hα-helixtrans-63.3-43.3171.1-176.853.5000111.2I79 I91 N96 H97 I146 W150I79-L94 HydrophobicContact CD1-CB 4.28Å; I79-L94 HydrophobicContact CD1-CD2 4.08Å; I79-L94 HydrophobicContact CD1-CG 3.9Å; I79-L94 HydrophobicContact CG2-CD2 3.9Å; I91-L94 HydrophobicContact CG1-CB 4.37Å; I91-L94 WeakPolarHBondContact O-CB 3.07Å; I91-L94 PolarHBondContact O-N 3.47Å; I91-L94 VanDerWaalsContact O-N 3.16Å; L94-N96 PolarHBondContact O-N 3.17Å; L94-H97 WeakPolarHBondContact O-CB 3.28Å; L94-H97 PolarHBondContact O-N 3.32Å; L94-H97 VanDerWaalsContact O-N 3.08Å; L94-I146 HydrophobicContact CD1-CD1 4.42Å; L94-W150 HydrophobicContact CB-CD2 4.04Å; L94-W150 HydrophobicContact CB-CE3 3.65Å; L94-W150 HydrophobicContact CB-CH2 3.97Å; L94-W150 HydrophobicContact CB-CZ2 4.29Å; L94-W150 HydrophobicContact CB-CZ3 3.62Å; L94-W150 HydrophobicContact CD1-CB 4.06Å; L94-W150 HydrophobicContact CD1-CD2 3.75Å; L94-W150 HydrophobicContact CD1-CE3 4.03Å; L94-W150 HydrophobicContact CD1-CG 3.76Å; L94-W150 HydrophobicContact CD2-CE3 4.1Å; L94-W150 HydrophobicContact CG-CD2 4.33Å; L94-W150 HydrophobicContact CG-CE3 4.13Å; L94-W150 VanDerWaalsContact N-CH2 3.35Å
95W96.2Very high94.5Very high105 Ų10582.4 Ų82.440%0.39842%0.419SS..Hα-helixtrans-58.7-36.2178.3-175.1-88.6000112.6K77 I79 I91 I92 H97 F98K77-W95 HydrophobicContact CB-CH2 3.82Å; K77-W95 HydrophobicContact CB-CZ2 4.06Å; K77-W95 HydrophobicContact CD-CZ2 4.46Å; I79-W95 HydrophobicContact CD1-CB 4.24Å; I79-W95 HydrophobicContact CD1-CE3 3.82Å; I79-W95 HydrophobicContact CG1-CE3 4.07Å; I79-W95 HydrophobicContact CG1-CZ3 4.48Å; I91-W95 PolarHBondContact O-N 3.21Å; I92-W95 HydrophobicContact CD1-CB 4.27Å; I92-W95 HydrophobicContact CD1-CG 4.41Å; I92-W95 WeakPolarHBondContact O-CB 3.37Å; I92-W95 PolarHBondContact O-N 3.05Å; W95-H97 PolarHBondContact O-N 3.4Å; W95-H97 VanDerWaalsContact O-N 3.15Å; W95-F98 HydrophobicContact CD2-CD2 4.19Å; W95-F98 HydrophobicContact CD2-CE2 4.32Å; W95-F98 HydrophobicContact CE3-CD2 4.34Å; W95-F98 HydrophobicContact CE3-CE2 4.01Å; W95-F98 HydrophobicContact CZ3-CE2 4.14Å; W95-F98 VanDerWaalsContact O-CD2 3.31Å; W95-F98 WeakPolarHBondContact O-CD2 3.35Å; W95-F98 PolarHBondContact O-N 3.34Å
96N96.1Very high94.5Very high87 Ų8782.5 Ų82.547%0.46543%0.427SS..G310 helixtrans-64.5-18.1178.9-67.7-27.2000113.2I92 E93 L94 F98 E99I92-N96 PolarHBondContact O-N 3Å; I92-N96 PolarHBondContact O-ND2 3.41Å; I92-N96 PolarHBondContact O-OD1 3.08Å; E93-N96 PolarHBondContact O-N 3.27Å; L94-N96 PolarHBondContact O-N 3.17Å; N96-F98 PolarHBondContact O-N 2.82Å; N96-E99 PolarHBondContact O-N 3.35Å; N96-E99 VanDerWaalsContact O-N 3.15Å
97H97.4Very high94.5Very high27 Ų2779 Ų7913%0.12541%0.408CS..G310 helixtrans-62.9-23174.8-78-91.1000113.4E93 L94 W95 E99 N100 F101 Y144 P147 W150E93-H97 PolarHBondContact O-CD2 3.4Å; L94-H97 WeakPolarHBondContact O-CB 3.28Å; L94-H97 PolarHBondContact O-N 3.32Å; L94-H97 VanDerWaalsContact O-N 3.08Å; W95-H97 PolarHBondContact O-N 3.4Å; W95-H97 VanDerWaalsContact O-N 3.15Å; H97-E99 PolarHBondContact O-N 2.82Å; H97-E99 VanDerWaalsContact O-N 3.17Å; H97-N100 WeakPolarHBondContact O-CB 3.48Å; H97-N100 PolarHBondContact O-N 2.92Å; H97-F101 VanDerWaalsContact O-CD1 3.24Å; H97-F101 WeakPolarHBondContact O-CD1 3.07Å; H97-F101 WeakPolarHBondContact O-CE1 3.2Å; H97-Y144 HydrophobicContact CB-CE1 3.85Å; H97-Y144 AromaticContact ND1-CE1 3.48Å; H97-Y144 WeakPolarHBondContact ND1-CE1 3.4Å; H97-Y144 AromaticContact ND1-CZ 3.63Å; H97-Y144 PolarHBondContact ND1-OH 3.12Å; H97-P147 VanDerWaalsContact CE1-CD 3.44Å; H97-P147 WeakPolarHBondContact CE1-CD 3.28Å; H97-W150 AromaticContact CD2-NE1 3.72Å; H97-W150 AromaticContact CE1-NE1 3.86Å; H97-W150 AromaticContact NE2-CD1 3.76Å; H97-W150 AromaticContact NE2-CE2 3.83Å; H97-W150 AromaticContact NE2-NE1 3Å; H97-W150 PolarHBondContact NE2-NE1 3.21Å
98F97.2Very high94.7Very high36 Ų3676.3 Ų76.316%0.15840%0.402CS..G310 helixtrans-58.5-27.6174.4-79.7-64.1000113.2K77 I79 W95 N96 N100 F101K77-F98 HydrophobicContact CB-CD1 4.41Å; K77-F98 HydrophobicContact CB-CD2 4.16Å; K77-F98 HydrophobicContact CB-CE1 4.16Å; K77-F98 HydrophobicContact CB-CE2 3.91Å; K77-F98 HydrophobicContact CB-CG 4.42Å; K77-F98 HydrophobicContact CB-CZ 3.92Å; K77-F98 HydrophobicContact CD-CB 3.85Å; K77-F98 HydrophobicContact CD-CD1 4.06Å; K77-F98 HydrophobicContact CD-CD2 3.96Å; K77-F98 HydrophobicContact CD-CG 3.7Å; K77-F98 HydrophobicContact CG-CD1 3.99Å; K77-F98 HydrophobicContact CG-CD2 4.31Å; K77-F98 HydrophobicContact CG-CE1 4.15Å; K77-F98 HydrophobicContact CG-CE2 4.46Å; K77-F98 HydrophobicContact CG-CG 4.09Å; K77-F98 HydrophobicContact CG-CZ 4.39Å; I79-F98 HydrophobicContact CG1-CE2 4.03Å; W95-F98 HydrophobicContact CD2-CD2 4.19Å; W95-F98 HydrophobicContact CD2-CE2 4.32Å; W95-F98 HydrophobicContact CE3-CD2 4.34Å; W95-F98 HydrophobicContact CE3-CE2 4.01Å; W95-F98 HydrophobicContact CZ3-CE2 4.14Å; W95-F98 VanDerWaalsContact O-CD2 3.31Å; W95-F98 WeakPolarHBondContact O-CD2 3.35Å; W95-F98 PolarHBondContact O-N 3.34Å; N96-F98 PolarHBondContact O-N 2.82Å; F98-N100 PolarHBondContact O-N 2.93Å; F98-F101 HydrophobicContact CD1-CD2 4.4Å; F98-F101 HydrophobicContact CD1-CE1 4.28Å; F98-F101 AromaticContact CD1-CE2 3.93Å; F98-F101 HydrophobicContact CD1-CE2 3.93Å; F98-F101 AromaticContact CD1-CZ 3.85Å; F98-F101 HydrophobicContact CD1-CZ 3.85Å; F98-F101 HydrophobicContact CE1-CE2 4.1Å; F98-F101 HydrophobicContact CE1-CZ 4.04Å; F98-F101 PolarHBondContact O-N 2.8Å
99E96.8Very high94.8Very high135 Ų13572.7 Ų72.763%0.63138%0.383SS*.G310 helixtrans-75.5-13.1178.6-57.1-55.6128.700112.6K77 N96 H97K77-E99 IonicContact NZ-OE1 3.32Å; K77-E99 PolarHBondContact NZ-OE1 2.95Å; N96-E99 PolarHBondContact O-N 3.35Å; N96-E99 VanDerWaalsContact O-N 3.15Å; H97-E99 PolarHBondContact O-N 2.82Å; H97-E99 VanDerWaalsContact O-N 3.17Å
100N97.6Very high94.7Very high96 Ų9669.9 Ų69.951%0.51337%0.367SS..G310 helixtrans-92.4-2.2177-60.5-35.6000113H97 F98 Y144H97-N100 WeakPolarHBondContact O-CB 3.48Å; H97-N100 PolarHBondContact O-N 2.92Å; F98-N100 PolarHBondContact O-N 2.93Å; N100-Y144 HydrophobicContact CB-CE2 3.65Å; N100-Y144 PolarHBondContact ND2-OH 3.35Å
101F97.3Very high94.5Very high41 Ų4169.7 Ų69.718%0.1837%0.365CS..  trans-71.4134.8179.4-75.831.4000109.6H97 F98 Q105 Y144H97-F101 VanDerWaalsContact O-CD1 3.24Å; H97-F101 WeakPolarHBondContact O-CD1 3.07Å; H97-F101 WeakPolarHBondContact O-CE1 3.2Å; F98-F101 HydrophobicContact CD1-CD2 4.4Å; F98-F101 HydrophobicContact CD1-CE1 4.28Å; F98-F101 AromaticContact CD1-CE2 3.93Å; F98-F101 HydrophobicContact CD1-CE2 3.93Å; F98-F101 AromaticContact CD1-CZ 3.85Å; F98-F101 HydrophobicContact CD1-CZ 3.85Å; F98-F101 HydrophobicContact CE1-CE2 4.1Å; F98-F101 HydrophobicContact CE1-CZ 4.04Å; F98-F101 PolarHBondContact O-N 2.8Å; F101-Q105 HydrophobicContact CB-CB 4.15Å; F101-Q105 HydrophobicContact CD2-CB 4.13Å; F101-Q105 HydrophobicContact CG-CB 4.26Å; F101-Y144 AromaticContact CD1-CD1 3.85Å; F101-Y144 HydrophobicContact CD1-CD1 3.85Å; F101-Y144 HydrophobicContact CD1-CD2 4.04Å; F101-Y144 HydrophobicContact CD1-CE1 4.5Å; F101-Y144 AromaticContact CD1-CG 3.57Å; F101-Y144 HydrophobicContact CD1-CG 3.57Å; F101-Y144 AromaticContact CE1-CD1 3.35Å; F101-Y144 HydrophobicContact CE1-CD1 3.35Å; F101-Y144 HydrophobicContact CE1-CD2 4.38Å; F101-Y144 HydrophobicContact CE1-CE1 4.12Å; F101-Y144 AromaticContact CE1-CG 3.5Å; F101-Y144 HydrophobicContact CE1-CG 3.5Å; F101-Y144 HydrophobicContact CG-CG 4.49Å; F101-Y144 HydrophobicContact CZ-CD1 4.23Å; F101-Y144 HydrophobicContact CZ-CG 4.35Å
102S96.4Very high94.2Very high54 Ų5470 Ų7038%0.37837%0.365SS..  trans-69.9169.1166.469.90000111.1T104 Q105S102-T104 PolarHBondContact O-N 3.33Å; S102-T104 VanDerWaalsContact O-N 3.08Å; S102-T104 PolarHBondContact OG-OG1 3.47Å; S102-Q105 PolarHBondContact O-N 2.92Å; S102-Q105 VanDerWaalsContact O-N 3.12Å; S102-Q105 VanDerWaalsContact OG-CD 3.24Å; S102-Q105 VanDerWaalsContact OG-CG 3.28Å; S102-Q105 WeakPolarHBondContact OG-CG 3.34Å; S102-Q105 PolarHBondContact OG-OE1 2.93Å
103Q95.4Very high94.1Very high207 Ų20768 Ų6897%0.96736%0.355SS*.THydrogen-bonded Turntrans-62.2-19.2-178.1-62.4178.319.900114.1
104T94.7Very high93.8Very high87 Ų8765.2 Ų65.253%0.53434%0.344SS..THydrogen-bonded Turntrans-100-17178.659.20000113.1S102 H141 L142S102-T104 PolarHBondContact O-N 3.33Å; S102-T104 VanDerWaalsContact O-N 3.08Å; S102-T104 PolarHBondContact OG-OG1 3.47Å; T104-H141 PolarHBondContact OG1-O 3.02Å; T104-L142 WeakPolarHBondContact O-CD2 3.37Å
105Q95.5Very high93.4Very high51 Ų5166.2 Ų66.224%0.23835%0.351CS..  trans-80.6137.3-177.2-75.8165.2-36.900110.7F101 S102 L142 L143F101-Q105 HydrophobicContact CB-CB 4.15Å; F101-Q105 HydrophobicContact CD2-CB 4.13Å; F101-Q105 HydrophobicContact CG-CB 4.26Å; S102-Q105 PolarHBondContact O-N 2.92Å; S102-Q105 VanDerWaalsContact O-N 3.12Å; S102-Q105 VanDerWaalsContact OG-CD 3.24Å; S102-Q105 VanDerWaalsContact OG-CG 3.28Å; S102-Q105 WeakPolarHBondContact OG-CG 3.34Å; S102-Q105 PolarHBondContact OG-OE1 2.93Å; Q105-L142 CarbonylContact C-O 3.36Å; Q105-L142 WeakPolarHBondContact CA-O 3.4Å; Q105-L143 WeakPolarHBondContact CG-O 3.06Å; Q105-L143 PolarHBondContact NE2-O 3.14Å
106S93.6Very high92.8Very high75 Ų7567 Ų6752%0.52436%0.359SS..  trans-133.5-15.7-177.858.70000113.5L142S106-L142 PolarHBondContact N-O 3.31Å
107I93.2Very high92Very high74 Ų7464.5 Ų64.538%0.37934%0.344SS..EExtended strand (participates in β ladder)trans-127.9123.9-177.9-59.2174.6000109.5L136 L142 L143 Y144I107-L136 HydrophobicContact CB-CD2 4.5Å; I107-L136 HydrophobicContact CD1-CD2 3.7Å; I107-L136 HydrophobicContact CG2-CD2 4Å; I107-L142 PolarHBondContact N-O 3.16Å; I107-L143 HydrophobicContact CB-CD2 3.96Å; I107-L143 HydrophobicContact CG2-CD2 4.2Å; I107-L143 CarbonylContact O-C 3.18Å; I107-L143 WeakPolarHBondContact O-CA 3.49Å; I107-Y144 PolarHBondContact O-N 3.27Å
108G94.3Very high90.6Very high34 Ų3469.7 Ų69.735%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-93.5127.4168.400000110.2Y144G108-Y144 CarbonylContact C-O 3.58Å; G108-Y144 VanDerWaalsContact CA-O 3.26Å; G108-Y144 WeakPolarHBondContact CA-O 3.46Å
109I92.2Very high89.5Confident41 Ų4172.9 Ų72.921%0.2139%0.387CS..EExtended strand (participates in β ladder)trans-145.9144.9-179.8-165.7168.9000112.5L136 L143 Y144 E145 I146I109-L136 HydrophobicContact CD1-CD1 3.38Å; I109-L143 HydrophobicContact CG2-CD1 4.26Å; I109-Y144 PolarHBondContact N-O 3.27Å; I109-E145 WeakPolarHBondContact O-CA 3.31Å; I109-I146 PolarHBondContact O-N 3.06Å
110G89.2Confident88.1Confident8 Ų869.5 Ų69.58%0.08238%0.376CS..PPolyproline II helixtrans-87.1139.1172.100000110.4
111L85.9Confident86.5Confident96 Ų9665.5 Ų65.550%0.50335%0.354SS..PPolyproline II helixtrans-66.3147.6-178.8-62.1-175.1000112.4Q113 E145L111-Q113 PolarHBondContact O-N 3.46Å; L111-E145 VanDerWaalsContact CD1-CD 3.42Å; L111-E145 HydrophobicContact CD1-CG 4.3Å; L111-E145 WeakPolarHBondContact CD1-OE1 3.44Å; L111-E145 HydrophobicContact CD2-CG 4.15Å; L111-E145 HydrophobicContact CG-CG 3.86Å
112E86.7Confident84.8Confident49 Ų4968.2 Ų68.223%0.22938%0.376CS..PPolyproline II helixtrans-63.2127.6172.4178.753.6-132.200111.3N114 F117 Q153 R162E112-N114 HydrophobicContact CG-CB 4.12Å; E112-N114 WeakPolarHBondContact OE1-CB 3.35Å; E112-N114 PolarHBondContact OE1-N 3.05Å; E112-F117 HydrophobicContact CB-CB 4.31Å; E112-F117 HydrophobicContact CB-CD1 3.62Å; E112-F117 HydrophobicContact CB-CD2 4.36Å; E112-F117 HydrophobicContact CB-CE1 3.83Å; E112-F117 HydrophobicContact CB-CG 3.87Å; E112-F117 HydrophobicContact CB-CZ 4.26Å; E112-F117 HydrophobicContact CG-CB 3.58Å; E112-F117 HydrophobicContact CG-CD1 3.68Å; E112-F117 HydrophobicContact CG-CD2 3.58Å; E112-F117 HydrophobicContact CG-CE1 4.12Å; E112-F117 HydrophobicContact CG-CE2 4.04Å; E112-F117 HydrophobicContact CG-CG 3.34Å; E112-F117 HydrophobicContact CG-CZ 4.25Å; E112-Q153 VanDerWaalsContact CD-OE1 3.29Å; E112-Q153 PolarHBondContact OE1-OE1 3.06Å; E112-Q153 PolarHBondContact OE2-NE2 3.48Å; E112-Q153 PolarHBondContact OE2-OE1 3.4Å; E112-R162 PolarHBondContact O-NH1 3.38Å
113Q89.9Confident83Confident6 Ų672.7 Ų72.73%0.02839%0.389CS..  trans-92.6-6.1-174.2-54.2-175.611.300112L111 P115 N151 Q153 D159 R162L111-Q113 PolarHBondContact O-N 3.46Å; Q113-P115 WeakPolarHBondContact O-CD 3.39Å; Q113-N151 PolarHBondContact NE2-O 3.22Å; Q113-Q153 HydrophobicContact CB-CB 4.3Å; Q113-Q153 VanDerWaalsContact CB-OE1 3.25Å; Q113-Q153 HydrophobicContact CG-CB 4.31Å; Q113-Q153 HydrophobicContact CG-CG 4.3Å; Q113-D159 PolarHBondContact O-N 3.46Å; Q113-R162 HydrophobicContact CB-CB 4.46Å; Q113-R162 VanDerWaalsContact O-CD 3.31Å; Q113-R162 WeakPolarHBondContact O-CD 3.33Å
114N88.7Confident81.1Confident41 Ų4163.5 Ų63.522%0.21935%0.346CS..  trans-72.3121.6166.5-173.6-33.5000111.3E112 H116 F117 G157 R162E112-N114 HydrophobicContact CG-CB 4.12Å; E112-N114 WeakPolarHBondContact OE1-CB 3.35Å; E112-N114 PolarHBondContact OE1-N 3.05Å; N114-H116 VanDerWaalsContact C-N 3.29Å; N114-H116 PolarHBondContact O-N 3.13Å; N114-H116 WeakPolarHBondContact OD1-CB 3.3Å; N114-H116 PolarHBondContact OD1-N 2.93Å; N114-F117 HydrophobicContact CB-CB 4.43Å; N114-F117 WeakPolarHBondContact O-CB 3.35Å; N114-F117 PolarHBondContact O-N 3.1Å; N114-G157 WeakPolarHBondContact CA-O 3.13Å; N114-R162 PolarHBondContact O-NH1 3.39Å
115P86.8Confident78.9Confident41 Ų4168 Ų6827%0.26636%0.361SS..THydrogen-bonded Turntrans-68-28-176.727.4-33.5000114.6Q113 F117 G157 D159 R162Q113-P115 WeakPolarHBondContact O-CD 3.39Å; P115-F117 PolarHBondContact O-N 3.37Å; P115-G157 WeakPolarHBondContact CD-O 3.47Å; P115-D159 HydrophobicContact CG-CB 4.2Å; P115-R162 VanDerWaalsContact CA-NH2 3.33Å
116H84.2Confident76.7Confident121 Ų12169.2 Ų69.256%0.5638%0.375SS*.THydrogen-bonded Turntrans-79-8.3179-62.8-57.7000113N114 Q118 D119 V120N114-H116 VanDerWaalsContact C-N 3.29Å; N114-H116 PolarHBondContact O-N 3.13Å; N114-H116 WeakPolarHBondContact OD1-CB 3.3Å; N114-H116 PolarHBondContact OD1-N 2.93Å; H116-Q118 VanDerWaalsContact C-N 3.28Å; H116-Q118 PolarHBondContact O-N 3.4Å; H116-D119 IonicContact ND1-OD2 2.89Å; H116-D119 WeakPolarHBondContact O-CA 3.27Å; H116-D119 VanDerWaalsContact O-CB 3.3Å; H116-D119 WeakPolarHBondContact O-CB 3.47Å; H116-D119 PolarHBondContact O-N 2.94Å; H116-V120 HydrophobicContact CB-CG2 4.45Å; H116-V120 WeakPolarHBondContact O-CG2 3.1Å; H116-V120 PolarHBondContact O-N 2.95Å
117F78.2Confident74.7Confident34 Ų3467.9 Ų67.915%0.14936%0.362CS..Hα-helixtrans-53.4-42.5-173.7-174-114.9000114E112 N114 P115 D119 V120 M121 N133E112-F117 HydrophobicContact CB-CB 4.31Å; E112-F117 HydrophobicContact CB-CD1 3.62Å; E112-F117 HydrophobicContact CB-CD2 4.36Å; E112-F117 HydrophobicContact CB-CE1 3.83Å; E112-F117 HydrophobicContact CB-CG 3.87Å; E112-F117 HydrophobicContact CB-CZ 4.26Å; E112-F117 HydrophobicContact CG-CB 3.58Å; E112-F117 HydrophobicContact CG-CD1 3.68Å; E112-F117 HydrophobicContact CG-CD2 3.58Å; E112-F117 HydrophobicContact CG-CE1 4.12Å; E112-F117 HydrophobicContact CG-CE2 4.04Å; E112-F117 HydrophobicContact CG-CG 3.34Å; E112-F117 HydrophobicContact CG-CZ 4.25Å; N114-F117 HydrophobicContact CB-CB 4.43Å; N114-F117 WeakPolarHBondContact O-CB 3.35Å; N114-F117 PolarHBondContact O-N 3.1Å; P115-F117 PolarHBondContact O-N 3.37Å; F117-D119 VanDerWaalsContact C-N 3.27Å; F117-D119 PolarHBondContact O-N 3.37Å; F117-V120 PolarHBondContact O-N 3.24Å; F117-M121 HydrophobicContact CD1-CE 4.3Å; F117-M121 HydrophobicContact CD1-CG 4.32Å; F117-M121 HydrophobicContact CE1-CE 3.29Å; F117-M121 HydrophobicContact CE1-CG 4.14Å; F117-M121 HydrophobicContact CE2-CE 4.12Å; F117-M121 HydrophobicContact CZ-CE 3.2Å; F117-M121 HydrophobicContact CZ-CG 4.44Å; F117-M121 WeakPolarHBondContact O-CG 3.18Å; F117-M121 PolarHBondContact O-N 3.39Å; F117-N133 HydrophobicContact CE1-CB 4.28Å; F117-N133 HydrophobicContact CE2-CB 4.49Å; F117-N133 HydrophobicContact CZ-CB 3.54Å; F117-N133 WeakPolarHBondContact CZ-ND2 3.27Å
118Q69.7Low72.9Confident136 Ų13665.7 Ų65.764%0.63635%0.349SS*.Hα-helixtrans-67.9-27.9177.5-65.5-172.45.700112.8H116 P122H116-Q118 VanDerWaalsContact C-N 3.28Å; H116-Q118 PolarHBondContact O-N 3.4Å; Q118-P122 VanDerWaalsContact O-CD 3.27Å; Q118-P122 WeakPolarHBondContact O-CD 3.42Å
119D73.8Confident71.2Confident104 Ų10467.9 Ų67.956%0.55635%0.35SS*.Hα-helixtrans-76.3-28.9176.5-54.6-39.1000111.7H116 F117H116-D119 IonicContact ND1-OD2 2.89Å; H116-D119 WeakPolarHBondContact O-CA 3.27Å; H116-D119 VanDerWaalsContact O-CB 3.3Å; H116-D119 WeakPolarHBondContact O-CB 3.47Å; H116-D119 PolarHBondContact O-N 2.94Å; F117-D119 VanDerWaalsContact C-N 3.27Å; F117-D119 PolarHBondContact O-N 3.37Å
120V66.8Low70Confident64 Ų6468.4 Ų68.439%0.38835%0.353SS..Hα-helixtrans-84.4-31.6178.1-137.60000111.8H116 F117 K123 L124H116-V120 HydrophobicContact CB-CG2 4.45Å; H116-V120 WeakPolarHBondContact O-CG2 3.1Å; H116-V120 PolarHBondContact O-N 2.95Å; F117-V120 PolarHBondContact O-N 3.24Å; V120-K123 WeakPolarHBondContact O-CA 3.47Å; V120-K123 WeakPolarHBondContact O-CB 3.24Å; V120-K123 PolarHBondContact O-N 3.18Å; V120-L124 HydrophobicContact CB-CD1 4.42Å; V120-L124 HydrophobicContact CG1-CG 4.5Å; V120-L124 WeakPolarHBondContact O-CG 3.3Å; V120-L124 PolarHBondContact O-N 3.06Å; V120-L124 VanDerWaalsContact O-N 3.14Å
121M64.6Low69.2Low12 Ų1269.3 Ų69.36%0.05936%0.356CS..G310 helixtrans-43.2-51.2-178.7-96.8-78.8173.800114.8F117 K123 L124 N133 L134F117-M121 HydrophobicContact CD1-CE 4.3Å; F117-M121 HydrophobicContact CD1-CG 4.32Å; F117-M121 HydrophobicContact CE1-CE 3.29Å; F117-M121 HydrophobicContact CE1-CG 4.14Å; F117-M121 HydrophobicContact CE2-CE 4.12Å; F117-M121 HydrophobicContact CZ-CE 3.2Å; F117-M121 HydrophobicContact CZ-CG 4.44Å; F117-M121 WeakPolarHBondContact O-CG 3.18Å; F117-M121 PolarHBondContact O-N 3.39Å; M121-K123 PolarHBondContact O-N 3.05Å; M121-L124 HydrophobicContact CG-CD1 4.49Å; M121-L124 WeakPolarHBondContact O-CB 3.4Å; M121-L124 PolarHBondContact O-N 2.86Å; M121-L124 VanDerWaalsContact O-N 3.16Å; M121-N133 HydrophobicContact CE-CB 3.32Å; M121-L134 HydrophobicContact SD-CD2 3.59Å; M121-L134 VanDerWaalsContact SD-CD2 3.59Å; M121-L134 HydrophobicContact SD-CG 4.06Å
122P60.7Low68.5Low98 Ų9867.1 Ų67.164%0.63635%0.345SS*.G310 helixtrans-63.7-22.3177.9-22.533.7000114.5Q118Q118-P122 VanDerWaalsContact O-CD 3.27Å; Q118-P122 WeakPolarHBondContact O-CD 3.42Å
123K58.7Low67.9Low148 Ų14866.6 Ų66.664%0.64334%0.343SS*.G310 helixtrans-90.2-16.1179.9-59.7174.8-177.5168.70112.6V120 M121 E125 S126V120-K123 WeakPolarHBondContact O-CA 3.47Å; V120-K123 WeakPolarHBondContact O-CB 3.24Å; V120-K123 PolarHBondContact O-N 3.18Å; M121-K123 PolarHBondContact O-N 3.05Å; K123-E125 PolarHBondContact O-N 3.42Å; K123-S126 PolarHBondContact O-N 3.36Å; K123-S126 PolarHBondContact O-OG 3.03Å
124L55.3Low66.9Low13 Ų1368.6 Ų68.67%0.06835%0.354CS..G310 helixtrans-73.9-5.7-177.9-70.8166.5000113.8V120 M121 S126 D127 D130 L134V120-L124 HydrophobicContact CB-CD1 4.42Å; V120-L124 HydrophobicContact CG1-CG 4.5Å; V120-L124 WeakPolarHBondContact O-CG 3.3Å; V120-L124 PolarHBondContact O-N 3.06Å; V120-L124 VanDerWaalsContact O-N 3.14Å; M121-L124 HydrophobicContact CG-CD1 4.49Å; M121-L124 WeakPolarHBondContact O-CB 3.4Å; M121-L124 PolarHBondContact O-N 2.86Å; M121-L124 VanDerWaalsContact O-N 3.16Å; L124-S126 PolarHBondContact O-N 2.91Å; L124-D127 HydrophobicContact CD2-CB 3.92Å; L124-D127 CarbonylContact O-C 3.56Å; L124-D127 VanDerWaalsContact O-C 3.27Å; L124-D127 PolarHBondContact O-N 2.9Å; L124-D130 HydrophobicContact CD1-CB 3.8Å; L124-D130 HydrophobicContact CD2-CB 4.26Å; L124-D130 HydrophobicContact CG-CB 4.5Å; L124-L134 HydrophobicContact CB-CD1 3.99Å; L124-L134 HydrophobicContact CB-CG 4.43Å
125E49.4Very low66.2Low182 Ų18269.4 Ų69.485%0.8536%0.36SS*.G310 helixtrans-51.8-24165.2-80.8-170.3161.800112.2K123K123-E125 PolarHBondContact O-N 3.42Å
126S49.1Very low65.5Low77 Ų7768.2 Ų68.254%0.53835%0.351SS..G310 helixtrans-98.9-17177690000115.7K123 L124K123-S126 PolarHBondContact O-N 3.36Å; K123-S126 PolarHBondContact O-OG 3.03Å; L124-S126 PolarHBondContact O-N 2.91Å
127D52.1Low65.1Low47 Ų4767.4 Ų67.425%0.25135%0.346SS..  trans-118.986.6174.4-97.8-32.2000109.1R54 L124 E129 D130R54-D127 WeakPolarHBondContact CD-OD1 3.23Å; R54-D127 IonicContact CZ-OD1 2.93Å; R54-D127 IonicContact NE-OD1 3.33Å; R54-D127 IonicContact NH1-OD1 3.73Å; R54-D127 PolarHBondContact NH1-OD1 3.23Å; R54-D127 IonicContact NH1-OD2 2.9Å; R54-D127 PolarHBondContact NH1-OD2 3.18Å; L124-D127 HydrophobicContact CD2-CB 3.92Å; L124-D127 CarbonylContact O-C 3.56Å; L124-D127 VanDerWaalsContact O-C 3.27Å; L124-D127 PolarHBondContact O-N 2.9Å; D127-E129 PolarHBondContact O-N 3.23Å; D127-D130 PolarHBondContact O-N 2.98Å
128W55.2Low65.1Low27 Ų2772.7 Ų72.710%0.10237%0.372CS..G310 helixtrans-61.42.5175.852.7-80.4000112.5I51 N52 S53 R54 H55 F62 D130 I131I51-W128 HydrophobicContact CG2-CB 3.99Å; I51-W128 HydrophobicContact CG2-CD2 4.2Å; I51-W128 HydrophobicContact CG2-CE3 3.67Å; I51-W128 HydrophobicContact CG2-CG 4.23Å; N52-W128 VanDerWaalsContact C-CD2 3.45Å; N52-W128 PolarHBondContact O-NE1 3.48Å; S53-W128 VanDerWaalsContact C-CZ2 3.45Å; S53-W128 WeakPolarHBondContact OG-CH2 3.39Å; S53-W128 WeakPolarHBondContact OG-CZ3 3.45Å; R54-W128 HydrophobicContact CB-CZ2 3.64Å; R54-W128 HydrophobicContact CG-CZ2 4.01Å; R54-W128 VanDerWaalsContact N-CE2 3.29Å; H55-W128 HydrophobicContact CB-CH2 3.7Å; H55-W128 HydrophobicContact CB-CZ3 4.44Å; F62-W128 WeakPolarHBondContact CE1-O 3.33Å; F62-W128 AromaticContact CE2-CE3 3.34Å; F62-W128 HydrophobicContact CE2-CE3 3.34Å; F62-W128 AromaticContact CE2-CZ3 3.29Å; F62-W128 HydrophobicContact CE2-CZ3 3.29Å; F62-W128 AromaticContact CZ-CE3 3.26Å; F62-W128 HydrophobicContact CZ-CE3 3.26Å; F62-W128 HydrophobicContact CZ-CH2 4.42Å; F62-W128 AromaticContact CZ-CZ3 3.2Å; F62-W128 HydrophobicContact CZ-CZ3 3.2Å; F62-W128 WeakPolarHBondContact CZ-O 3.28Å; W128-D130 PolarHBondContact O-N 2.98Å; W128-I131 PolarHBondContact O-N 2.89Å
129E57.2Low65.9Low81 Ų8170.9 Ų70.938%0.37936%0.362SS..G310 helixtrans-52.7-37.6169.4-67.2-164157.500110.9H55 D127H55-E129 WeakPolarHBondContact CA-OE1 3.02Å; H55-E129 HydrophobicContact CB-CG 4.11Å; H55-E129 WeakPolarHBondContact CB-OE1 3.11Å; H55-E129 PolarHBondContact N-OE1 2.91Å; D127-E129 PolarHBondContact O-N 3.23Å
130D68Low66.4Low51 Ų5171.4 Ų71.427%0.27336%0.359SS..G310 helixtrans-10622.7-176-74.4-51.6000113.9L124 D127 W128 L132 N133 L134L124-D130 HydrophobicContact CD1-CB 3.8Å; L124-D130 HydrophobicContact CD2-CB 4.26Å; L124-D130 HydrophobicContact CG-CB 4.5Å; D127-D130 PolarHBondContact O-N 2.98Å; W128-D130 PolarHBondContact O-N 2.98Å; D130-L132 PolarHBondContact O-N 3.31Å; D130-N133 PolarHBondContact O-N 3.47Å; D130-N133 PolarHBondContact OD1-ND2 3.36Å; D130-L134 PolarHBondContact O-N 2.92Å
131I71.5Confident67.5Low28 Ų2874 Ų7414%0.14437%0.367CS..Hα-helixtrans-53.3-32.6-179.6-162.3172.5000112.4W50 I51 F62 L65 W128 L134 V135W50-I131 HydrophobicContact CH2-CD1 4.27Å; I51-I131 HydrophobicContact CD1-CD1 4.38Å; I51-I131 HydrophobicContact CG2-CD1 4.29Å; F62-I131 HydrophobicContact CD1-CG2 3.42Å; F62-I131 VanDerWaalsContact CD1-CG2 3.42Å; F62-I131 HydrophobicContact CE1-CB 4.43Å; F62-I131 HydrophobicContact CE1-CG2 3.3Å; F62-I131 HydrophobicContact CG-CG2 4.37Å; F62-I131 HydrophobicContact CZ-CG2 4.14Å; L65-I131 HydrophobicContact CD1-CG2 4.09Å; W128-I131 PolarHBondContact O-N 2.89Å; I131-L134 PolarHBondContact O-N 3.3Å; I131-V135 HydrophobicContact CG1-CG2 4.32Å; I131-V135 WeakPolarHBondContact O-CB 3.13Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.49Å; I131-V135 PolarHBondContact O-N 2.85Å
132L72.1Confident68.8Low50 Ų5075.8 Ų75.826%0.26238%0.377SS..Hα-helixtrans-58.3-52.1176-162.6100.4000109.7K64 L65 D130 L134 V135 L136K64-L132 HydrophobicContact CB-CD1 4.34Å; L65-L132 HydrophobicContact CD2-CD1 3.45Å; L65-L132 VanDerWaalsContact CD2-CD1 3.45Å; L65-L132 HydrophobicContact CD2-CG 4.43Å; L65-L132 HydrophobicContact CG-CD1 3.81Å; D130-L132 PolarHBondContact O-N 3.31Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.89Å; L132-V135 PolarHBondContact O-N 2.77Å; L132-L136 HydrophobicContact CD2-CD1 3.85Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 WeakPolarHBondContact O-CB 3.17Å; L132-L136 WeakPolarHBondContact O-CD1 3.36Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.08Å
133N73.2Confident70.3Confident37 Ų3772.6 Ų72.620%0.19835%0.354CS..Hα-helixtrans-67.1-36-178.1-64.3-39.9000111.9F117 M121 D130 L136 F137F117-N133 HydrophobicContact CE1-CB 4.28Å; F117-N133 HydrophobicContact CE2-CB 4.49Å; F117-N133 HydrophobicContact CZ-CB 3.54Å; F117-N133 WeakPolarHBondContact CZ-ND2 3.27Å; M121-N133 HydrophobicContact CE-CB 3.32Å; D130-N133 PolarHBondContact O-N 3.47Å; D130-N133 PolarHBondContact OD1-ND2 3.36Å; N133-L136 PolarHBondContact O-N 3.06Å; N133-F137 WeakPolarHBondContact O-CB 3.34Å; N133-F137 PolarHBondContact O-N 2.88Å
134L70.5Confident72Confident48 Ų4867.3 Ų67.325%0.25133%0.33SS..Hα-helixtrans-61.7-49.7175.2-79.2166.1000111.6M121 L124 D130 I131 L132 L136 F137 E138M121-L134 HydrophobicContact SD-CD2 3.59Å; M121-L134 VanDerWaalsContact SD-CD2 3.59Å; M121-L134 HydrophobicContact SD-CG 4.06Å; L124-L134 HydrophobicContact CB-CD1 3.99Å; L124-L134 HydrophobicContact CB-CG 4.43Å; D130-L134 PolarHBondContact O-N 2.92Å; I131-L134 PolarHBondContact O-N 3.3Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.89Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 2.63Å; L134-F137 PolarHBondContact O-N 3.37Å; L134-F137 VanDerWaalsContact O-N 3.17Å; L134-E138 PolarHBondContact O-N 3.37Å
135V72.1Confident73.8Confident58 Ų5872.5 Ų72.535%0.35235%0.354SS..Hα-helixtrans-58.7-44.7176170.90000109.9I131 L132 F137 E138 F139I131-V135 HydrophobicContact CG1-CG2 4.32Å; I131-V135 WeakPolarHBondContact O-CB 3.13Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.49Å; I131-V135 PolarHBondContact O-N 2.85Å; L132-V135 PolarHBondContact O-N 2.77Å; V135-F137 VanDerWaalsContact C-N 3.32Å; V135-F137 PolarHBondContact O-N 2.95Å; V135-E138 PolarHBondContact O-N 3.42Å; V135-F139 HydrophobicContact CG1-CD2 3.83Å; V135-F139 HydrophobicContact CG1-CE2 4.18Å; V135-F139 WeakPolarHBondContact O-CD2 3.49Å; V135-F139 PolarHBondContact O-N 3.39Å
136L73.7Confident76Confident16 Ų1664.7 Ų64.78%0.08432%0.318CS..Hα-helixtrans-64.5-37.4178.7-65.1168.6000111.8I107 I109 L132 N133 L134 F139 K140 L143I107-L136 HydrophobicContact CB-CD2 4.5Å; I107-L136 HydrophobicContact CD1-CD2 3.7Å; I107-L136 HydrophobicContact CG2-CD2 4Å; I109-L136 HydrophobicContact CD1-CD1 3.38Å; L132-L136 HydrophobicContact CD2-CD1 3.85Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 WeakPolarHBondContact O-CB 3.17Å; L132-L136 WeakPolarHBondContact O-CD1 3.36Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.08Å; N133-L136 PolarHBondContact O-N 3.06Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 2.63Å; L136-F139 CarbonylContact O-C 3.55Å; L136-F139 PolarHBondContact O-N 3.46Å; L136-K140 PolarHBondContact O-N 3.23Å; L136-L143 HydrophobicContact CB-CD1 4.05Å; L136-L143 HydrophobicContact CB-CD2 4.26Å; L136-L143 HydrophobicContact CD2-CD2 3.45Å; L136-L143 VanDerWaalsContact CD2-CD2 3.45Å; L136-L143 HydrophobicContact CG-CD2 4.41Å; L136-L143 VanDerWaalsContact O-CD1 3.31Å; L136-L143 WeakPolarHBondContact O-CD1 3.35Å
137F74.3Confident78.2Confident104 Ų10463.5 Ų63.546%0.45631%0.308SS..Hα-helixtrans-65.1-39.5176-169.9-86.1000112.4N133 L134 V135 K140N133-F137 WeakPolarHBondContact O-CB 3.34Å; N133-F137 PolarHBondContact O-N 2.88Å; L134-F137 PolarHBondContact O-N 3.37Å; L134-F137 VanDerWaalsContact O-N 3.17Å; V135-F137 VanDerWaalsContact C-N 3.32Å; V135-F137 PolarHBondContact O-N 2.95Å; F137-K140 VanDerWaalsContact CE2-CE 3.46Å; F137-K140 WeakPolarHBondContact O-CG 3.15Å
138E79.8Confident80.1Confident146 Ų14662.7 Ų62.768%0.68231%0.306SS*.Hα-helixtrans-67.4-39.8176.3-17263.1-167.800111.4L134 V135 K140L134-E138 PolarHBondContact O-N 3.37Å; V135-E138 PolarHBondContact O-N 3.42Å; E138-K140 PolarHBondContact O-N 3.05Å
139F85Confident81.9Confident97 Ų9766.7 Ų66.743%0.42533%0.326SS..THydrogen-bonded Turntrans-100.438.1-177.8-62.2-74.9000113.6V135 L136 H141 L142V135-F139 HydrophobicContact CG1-CD2 3.83Å; V135-F139 HydrophobicContact CG1-CE2 4.18Å; V135-F139 WeakPolarHBondContact O-CD2 3.49Å; V135-F139 PolarHBondContact O-N 3.39Å; L136-F139 CarbonylContact O-C 3.55Å; L136-F139 PolarHBondContact O-N 3.46Å; F139-H141 AromaticContact CD1-CE1 3.89Å; F139-H141 PolarHBondContact O-N 2.87Å; F139-L142 HydrophobicContact CB-CB 4.49Å; F139-L142 HydrophobicContact CB-CD1 3.85Å; F139-L142 HydrophobicContact CB-CG 4.13Å; F139-L142 HydrophobicContact CD1-CD1 4.3Å; F139-L142 HydrophobicContact CG-CD1 4.26Å; F139-L142 WeakPolarHBondContact O-CB 3.41Å; F139-L142 PolarHBondContact O-N 2.79Å
140K84.6Confident83.7Confident115 Ų11565.6 Ų65.650%0.532%0.318SS..G310 helixtrans-49.1-32.8-179.6-87.7176.5-171.7-173.70115L136 F137 E138 L142 L143L136-K140 PolarHBondContact O-N 3.23Å; F137-K140 VanDerWaalsContact CE2-CE 3.46Å; F137-K140 WeakPolarHBondContact O-CG 3.15Å; E138-K140 PolarHBondContact O-N 3.05Å; K140-L142 PolarHBondContact O-N 3.17Å; K140-L143 HydrophobicContact CG-CD1 4.41Å; K140-L143 WeakPolarHBondContact O-CB 3.3Å; K140-L143 PolarHBondContact O-N 2.91Å
141H89.7Confident84.9Confident118 Ų11866.2 Ų66.255%0.54632%0.322SS..G310 helixtrans-66.8-16.1178.665.7-86.3000114.1T104 F139T104-H141 PolarHBondContact OG1-O 3.02Å; F139-H141 AromaticContact CD1-CE1 3.89Å; F139-H141 PolarHBondContact O-N 2.87Å
142L92.3Very high85.9Confident51 Ų5166.8 Ų66.827%0.26733%0.325SS..G310 helixtrans-88.9-6.6173-55.9-176.3000112.5T104 Q105 S106 I107 F139 K140T104-L142 WeakPolarHBondContact O-CD2 3.37Å; Q105-L142 CarbonylContact C-O 3.36Å; Q105-L142 WeakPolarHBondContact CA-O 3.4Å; S106-L142 PolarHBondContact N-O 3.31Å; I107-L142 PolarHBondContact N-O 3.16Å; F139-L142 HydrophobicContact CB-CB 4.49Å; F139-L142 HydrophobicContact CB-CD1 3.85Å; F139-L142 HydrophobicContact CB-CG 4.13Å; F139-L142 HydrophobicContact CD1-CD1 4.3Å; F139-L142 HydrophobicContact CG-CD1 4.26Å; F139-L142 WeakPolarHBondContact O-CB 3.41Å; F139-L142 PolarHBondContact O-N 2.79Å; K140-L142 PolarHBondContact O-N 3.17Å
143L92.4Very high86.9Confident31 Ų3166.3 Ų66.316%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-96.7132.8-172.1-54-172.5000112.6Q105 I107 I109 L136 K140Q105-L143 WeakPolarHBondContact CG-O 3.06Å; Q105-L143 PolarHBondContact NE2-O 3.14Å; I107-L143 HydrophobicContact CB-CD2 3.96Å; I107-L143 HydrophobicContact CG2-CD2 4.2Å; I107-L143 CarbonylContact O-C 3.18Å; I107-L143 WeakPolarHBondContact O-CA 3.49Å; I109-L143 HydrophobicContact CG2-CD1 4.26Å; L136-L143 HydrophobicContact CB-CD1 4.05Å; L136-L143 HydrophobicContact CB-CD2 4.26Å; L136-L143 HydrophobicContact CD2-CD2 3.45Å; L136-L143 VanDerWaalsContact CD2-CD2 3.45Å; L136-L143 HydrophobicContact CG-CD2 4.41Å; L136-L143 VanDerWaalsContact O-CD1 3.31Å; L136-L143 WeakPolarHBondContact O-CD1 3.35Å; K140-L143 HydrophobicContact CG-CD1 4.41Å; K140-L143 WeakPolarHBondContact O-CB 3.3Å; K140-L143 PolarHBondContact O-N 2.91Å
144Y94.9Very high87.7Confident37 Ų3771.7 Ų71.715%0.14535%0.349CS..EExtended strand (participates in β ladder)trans-100.1119.6159.7174.5-96.2000108.6H97 N100 F101 I107 G108 I109 I146H97-Y144 HydrophobicContact CB-CE1 3.85Å; H97-Y144 AromaticContact ND1-CE1 3.48Å; H97-Y144 WeakPolarHBondContact ND1-CE1 3.4Å; H97-Y144 AromaticContact ND1-CZ 3.63Å; H97-Y144 PolarHBondContact ND1-OH 3.12Å; N100-Y144 HydrophobicContact CB-CE2 3.65Å; N100-Y144 PolarHBondContact ND2-OH 3.35Å; F101-Y144 AromaticContact CD1-CD1 3.85Å; F101-Y144 HydrophobicContact CD1-CD1 3.85Å; F101-Y144 HydrophobicContact CD1-CD2 4.04Å; F101-Y144 HydrophobicContact CD1-CE1 4.5Å; F101-Y144 AromaticContact CD1-CG 3.57Å; F101-Y144 HydrophobicContact CD1-CG 3.57Å; F101-Y144 AromaticContact CE1-CD1 3.35Å; F101-Y144 HydrophobicContact CE1-CD1 3.35Å; F101-Y144 HydrophobicContact CE1-CD2 4.38Å; F101-Y144 HydrophobicContact CE1-CE1 4.12Å; F101-Y144 AromaticContact CE1-CG 3.5Å; F101-Y144 HydrophobicContact CE1-CG 3.5Å; F101-Y144 HydrophobicContact CG-CG 4.49Å; F101-Y144 HydrophobicContact CZ-CD1 4.23Å; F101-Y144 HydrophobicContact CZ-CG 4.35Å; I107-Y144 PolarHBondContact O-N 3.27Å; G108-Y144 CarbonylContact C-O 3.58Å; G108-Y144 VanDerWaalsContact CA-O 3.26Å; G108-Y144 WeakPolarHBondContact CA-O 3.46Å; I109-Y144 PolarHBondContact N-O 3.27Å; Y144-I146 HydrophobicContact CD1-CG2 3.82Å; Y144-I146 HydrophobicContact CE1-CG2 3.86Å; Y144-I146 PolarHBondContact O-N 3.48Å
145E93.2Very high88.5Confident121 Ų12172.5 Ų72.557%0.56536%0.359SS*.EExtended strand (participates in β ladder)trans-76.2114.5175.3-173.1178.5144.200109.4I109 L111I109-E145 WeakPolarHBondContact O-CA 3.31Å; L111-E145 VanDerWaalsContact CD1-CD 3.42Å; L111-E145 HydrophobicContact CD1-CG 4.3Å; L111-E145 WeakPolarHBondContact CD1-OE1 3.44Å; L111-E145 HydrophobicContact CD2-CG 4.15Å; L111-E145 HydrophobicContact CG-CG 3.86Å
146I95Very high89.2Confident18 Ų1879.6 Ų79.69%0.09239%0.388CS..  trans-80.3147.4172.173.7-168.6000109.1L94 I109 Y144 W150L94-I146 HydrophobicContact CD1-CD1 4.42Å; I109-I146 PolarHBondContact O-N 3.06Å; Y144-I146 HydrophobicContact CD1-CG2 3.82Å; Y144-I146 HydrophobicContact CE1-CG2 3.86Å; Y144-I146 PolarHBondContact O-N 3.48Å; I146-W150 HydrophobicContact CD1-CB 3.77Å; I146-W150 HydrophobicContact CG1-CB 4.03Å
147P94.5Very high89.9Confident52 Ų5280.4 Ų80.434%0.33840%0.401SS..  trans-50.8142.4172-26.332.1000112.5H97 E149 W150H97-P147 VanDerWaalsContact CE1-CD 3.44Å; H97-P147 WeakPolarHBondContact CE1-CD 3.28Å; P147-E149 WeakPolarHBondContact CB-OE2 3.34Å; P147-E149 PolarHBondContact O-N 3.04Å; P147-E149 VanDerWaalsContact O-N 3.09Å; P147-W150 WeakPolarHBondContact O-CB 3.49Å; P147-W150 PolarHBondContact O-N 3.41Å
148C93.7Very high90.6Very high31 Ų3176.4 Ų76.421%0.20939%0.385CS..G310 helixtrans-61.1-25.4-171.277.20000113W150 N151 I152 C163C148-W150 PolarHBondContact O-N 3.24Å; C148-N151 CarbonylContact O-C 3.4Å; C148-N151 PolarHBondContact O-N 2.8Å; C148-I152 PolarHBondContact O-N 3.16Å; C148-C163 HydrophobicContact CB-CB 3.67Å; C148-C163 WeakPolarHBondContact CB-SG 3.36Å; C148-C163 PolarHBondContact O-SG 2.96Å; C148-C163 WeakPolarHBondContact SG-CA 3.4Å; C148-C163 WeakPolarHBondContact SG-CB 3.46Å; C148-C163 CovalentContact SG-SG 2.05Å; C148-C163 PolarHBondContact SG-SG 3.36Å
149E92.4Very high91.1Very high111 Ų11171.6 Ų71.652%0.51936%0.364SS..G310 helixtrans-64.2-20.5179.8-56.988.1164.500112.5P147 N151 V165P147-E149 WeakPolarHBondContact CB-OE2 3.34Å; P147-E149 PolarHBondContact O-N 3.04Å; P147-E149 VanDerWaalsContact O-N 3.09Å; E149-N151 VanDerWaalsContact C-N 3.3Å; E149-V165 HydrophobicContact CB-CG1 4.29Å; E149-V165 HydrophobicContact CG-CG1 3.62Å
150W94.3Very high91.2Very high57 Ų5771.7 Ų71.722%0.21638%0.375CS..G310 helixtrans-78.9-11.9174-70.3114.8000113.9T89 E93 L94 H97 I146 P147 C148T89-W150 HydrophobicContact CG2-CH2 3.4Å; T89-W150 HydrophobicContact CG2-CZ3 3.41Å; T89-W150 VanDerWaalsContact CG2-CZ3 3.41Å; E93-W150 HydrophobicContact CB-CH2 3.51Å; E93-W150 HydrophobicContact CB-CZ2 3.65Å; L94-W150 HydrophobicContact CB-CD2 4.04Å; L94-W150 HydrophobicContact CB-CE3 3.65Å; L94-W150 HydrophobicContact CB-CH2 3.97Å; L94-W150 HydrophobicContact CB-CZ2 4.29Å; L94-W150 HydrophobicContact CB-CZ3 3.62Å; L94-W150 HydrophobicContact CD1-CB 4.06Å; L94-W150 HydrophobicContact CD1-CD2 3.75Å; L94-W150 HydrophobicContact CD1-CE3 4.03Å; L94-W150 HydrophobicContact CD1-CG 3.76Å; L94-W150 HydrophobicContact CD2-CE3 4.1Å; L94-W150 HydrophobicContact CG-CD2 4.33Å; L94-W150 HydrophobicContact CG-CE3 4.13Å; L94-W150 VanDerWaalsContact N-CH2 3.35Å; H97-W150 AromaticContact CD2-NE1 3.72Å; H97-W150 AromaticContact CE1-NE1 3.86Å; H97-W150 AromaticContact NE2-CD1 3.76Å; H97-W150 AromaticContact NE2-CE2 3.83Å; H97-W150 AromaticContact NE2-NE1 3Å; H97-W150 PolarHBondContact NE2-NE1 3.21Å; I146-W150 HydrophobicContact CD1-CB 3.77Å; I146-W150 HydrophobicContact CG1-CB 4.03Å; P147-W150 WeakPolarHBondContact O-CB 3.49Å; P147-W150 PolarHBondContact O-N 3.41Å; C148-W150 PolarHBondContact O-N 3.24Å
151N93.8Very high91.3Very high64 Ų6474 Ų7434%0.34239%0.387SS..G310 helixtrans-15068.4175.3-172.627.7000111.2Q113 C148 E149 Q153Q113-N151 PolarHBondContact NE2-O 3.22Å; C148-N151 CarbonylContact O-C 3.4Å; C148-N151 PolarHBondContact O-N 2.8Å; E149-N151 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact O-N 2.88Å
152I93.3Very high91.3Very high40 Ų4073.4 Ų73.421%0.20538%0.38CS..  trans-72.1115.5177.4-59.3156.3000108.7C148 L154 V165 W167C148-I152 PolarHBondContact O-N 3.16Å; I152-L154 HydrophobicContact CG2-CD2 4.18Å; I152-V165 HydrophobicContact CB-CG2 4.44Å; I152-V165 HydrophobicContact CD1-CB 3.89Å; I152-V165 HydrophobicContact CD1-CG1 3.72Å; I152-V165 HydrophobicContact CD1-CG2 3.52Å; I152-V165 HydrophobicContact CG1-CB 4.46Å; I152-V165 HydrophobicContact CG1-CG1 4.02Å; I152-V165 HydrophobicContact CG1-CG2 3.86Å; I152-V165 HydrophobicContact CG2-CG2 3.72Å; I152-W167 HydrophobicContact CB-CZ2 4.48Å; I152-W167 HydrophobicContact CD1-CH2 3.8Å; I152-W167 HydrophobicContact CD1-CZ2 3.37Å; I152-W167 HydrophobicContact CG2-CZ2 4.44Å
153Q91.9Very high91.3Very high41 Ų4171.1 Ų71.119%0.19237%0.368CS..  trans-91.8131.2-177.7-64.3176.5-30.600110.2E112 Q113 N151 S158E112-Q153 VanDerWaalsContact CD-OE1 3.29Å; E112-Q153 PolarHBondContact OE1-OE1 3.06Å; E112-Q153 PolarHBondContact OE2-NE2 3.48Å; E112-Q153 PolarHBondContact OE2-OE1 3.4Å; Q113-Q153 HydrophobicContact CB-CB 4.3Å; Q113-Q153 VanDerWaalsContact CB-OE1 3.25Å; Q113-Q153 HydrophobicContact CG-CB 4.31Å; Q113-Q153 HydrophobicContact CG-CG 4.3Å; N151-Q153 PolarHBondContact O-N 2.88Å; Q153-S158 WeakPolarHBondContact CB-OG 3.5Å; Q153-S158 WeakPolarHBondContact O-CB 3.36Å; Q153-S158 PolarHBondContact O-OG 3.35Å
154L90.5Very high91Very high149 Ų14974.8 Ų74.878%0.7839%0.394SS*.  trans-111.415-177.4-58.4179.3000112.5I152I152-L154 HydrophobicContact CG2-CD2 4.18Å
155S88.2Confident90.3Very high66 Ų6675.1 Ų75.146%0.46240%0.399SS..SBendtrans-68.4152.3177.169.10000110.3G157 S158S155-G157 PolarHBondContact O-N 3.47Å; S155-G157 VanDerWaalsContact O-N 3.08Å; S155-S158 VanDerWaalsContact O-CB 3.3Å; S155-S158 WeakPolarHBondContact O-CB 3.2Å; S155-S158 PolarHBondContact O-N 3.06Å; S155-S158 PolarHBondContact O-OG 3.01Å; S155-S158 PolarHBondContact OG-OG 3.45Å
156E86.3Confident89.3Confident207 Ų20772.6 Ų72.697%0.96740%0.395SS*.THydrogen-bonded Turntrans-55.6-30.2-177.9-175.7177.5-171.800113.3
157G87Confident88Confident33 Ų3378.1 Ų78.134%0.3442%0.415SS..THydrogen-bonded Turntrans-83.7-5.6178.200000115.2N114 P115 S155N114-G157 WeakPolarHBondContact CA-O 3.13Å; P115-G157 WeakPolarHBondContact CD-O 3.47Å; S155-G157 PolarHBondContact O-N 3.47Å; S155-G157 VanDerWaalsContact O-N 3.08Å
158S89.5Confident86.9Confident19 Ų1978.4 Ų78.413%0.13341%0.413CS..  trans-73.4134.8-178.5-61.80000111Q153 S155 P160Q153-S158 WeakPolarHBondContact CB-OG 3.5Å; Q153-S158 WeakPolarHBondContact O-CB 3.36Å; Q153-S158 PolarHBondContact O-OG 3.35Å; S155-S158 VanDerWaalsContact O-CB 3.3Å; S155-S158 WeakPolarHBondContact O-CB 3.2Å; S155-S158 PolarHBondContact O-N 3.06Å; S155-S158 PolarHBondContact O-OG 3.01Å; S155-S158 PolarHBondContact OG-OG 3.45Å; S158-P160 WeakPolarHBondContact O-CD 3.4Å
159D90.3Very high85.7Confident46 Ų4680.6 Ų80.625%0.24643%0.426CS..  trans-89.9113.1174.4179.1-0000110.5Q113 P115 H161 R162Q113-D159 PolarHBondContact O-N 3.46Å; P115-D159 HydrophobicContact CG-CB 4.2Å; D159-H161 PolarHBondContact O-N 3.46Å; D159-H161 WeakPolarHBondContact OD1-CB 3.38Å; D159-H161 IonicContact OD1-CD2 3.65Å; D159-H161 PolarHBondContact OD1-CD2 3.34Å; D159-H161 IonicContact OD1-CG 3.64Å; D159-H161 PolarHBondContact OD1-N 2.79Å; D159-R162 HydrophobicContact CB-CG 4.04Å; D159-R162 WeakPolarHBondContact O-CB 3.1Å; D159-R162 PolarHBondContact O-N 3.36Å
160P86.7Confident84.4Confident99 Ų9983 Ų8364%0.64343%0.431SS*.THydrogen-bonded Turntrans-59.3-20.8179.3-22.834.1000114S158 R162 C163S158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-R162 VanDerWaalsContact C-N 3.3Å; P160-C163 CarbonylContact O-C 3.57Å
161H88.6Confident83.3Confident162 Ų16287.1 Ų87.175%0.7546%0.455SS*.THydrogen-bonded Turntrans-75.3-19.1176.6-64.1-67.7000113.2D159D159-H161 PolarHBondContact O-N 3.46Å; D159-H161 WeakPolarHBondContact OD1-CB 3.38Å; D159-H161 IonicContact OD1-CD2 3.65Å; D159-H161 PolarHBondContact OD1-CD2 3.34Å; D159-H161 IonicContact OD1-CG 3.64Å; D159-H161 PolarHBondContact OD1-N 2.79Å
162R89.1Confident82.6Confident106 Ų10688 Ų8840%0.446%0.457SS..THydrogen-bonded Turntrans-77.9-24.4176.6-71.6-174.7163.6-153.5-1.1113.1E112 Q113 N114 P115 D159 P160E112-R162 PolarHBondContact O-NH1 3.38Å; Q113-R162 HydrophobicContact CB-CB 4.46Å; Q113-R162 VanDerWaalsContact O-CD 3.31Å; Q113-R162 WeakPolarHBondContact O-CD 3.33Å; N114-R162 PolarHBondContact O-NH1 3.39Å; P115-R162 VanDerWaalsContact CA-NH2 3.33Å; D159-R162 HydrophobicContact CB-CG 4.04Å; D159-R162 WeakPolarHBondContact O-CB 3.1Å; D159-R162 PolarHBondContact O-N 3.36Å; P160-R162 VanDerWaalsContact C-N 3.3Å
163C92.2Very high81.5Confident4 Ų489 Ų893%0.02746%0.462CS..SBendtrans-139.880.6170.3-162.50000111.1C148 P160 V165C148-C163 HydrophobicContact CB-CB 3.67Å; C148-C163 WeakPolarHBondContact CB-SG 3.36Å; C148-C163 PolarHBondContact O-SG 2.96Å; C148-C163 WeakPolarHBondContact SG-CA 3.4Å; C148-C163 WeakPolarHBondContact SG-CB 3.46Å; C148-C163 CovalentContact SG-SG 2.05Å; C148-C163 PolarHBondContact SG-SG 3.36Å; P160-C163 CarbonylContact O-C 3.57Å; C163-V165 VanDerWaalsContact C-N 3.32Å; C163-V165 PolarHBondContact O-N 3.01Å
164P85.6Confident80.4Confident108 Ų10894.2 Ų94.270%0.70148%0.48SS*.  trans-74.885.3-175.531.1-34.5000110.6
165V81.1Confident79.7Confident43 Ų4393.8 Ų93.826%0.26147%0.472SS..  trans-105.4135.9177.2-670000111E149 I152 C163E149-V165 HydrophobicContact CB-CG1 4.29Å; E149-V165 HydrophobicContact CG-CG1 3.62Å; I152-V165 HydrophobicContact CB-CG2 4.44Å; I152-V165 HydrophobicContact CD1-CB 3.89Å; I152-V165 HydrophobicContact CD1-CG1 3.72Å; I152-V165 HydrophobicContact CD1-CG2 3.52Å; I152-V165 HydrophobicContact CG1-CB 4.46Å; I152-V165 HydrophobicContact CG1-CG1 4.02Å; I152-V165 HydrophobicContact CG1-CG2 3.86Å; I152-V165 HydrophobicContact CG2-CG2 3.72Å; C163-V165 VanDerWaalsContact C-N 3.32Å; C163-V165 PolarHBondContact O-N 3.01Å
166S72.1Confident78.7Confident68 Ų6895.9 Ų95.948%0.47647%0.474SS..  trans-108.7119.8173.1-1680000110.4L168 L173S166-L168 PolarHBondContact OG-N 2.93Å; S166-L173 WeakPolarHBondContact OG-CD2 3.1Å
167W68Low77.5Confident135 Ų13591 Ų9151%0.51146%0.455SS..  trans-82.9-4.3171.5-57.699.3000112.8N88 I152N88-W167 HydrophobicContact CB-CE3 4.48Å; N88-W167 HydrophobicContact CB-CH2 4.18Å; N88-W167 HydrophobicContact CB-CZ3 3.49Å; N88-W167 VanDerWaalsContact CB-CZ3 3.49Å; N88-W167 VanDerWaalsContact CG-CZ3 3.45Å; N88-W167 VanDerWaalsContact ND2-CZ3 3.27Å; N88-W167 WeakPolarHBondContact ND2-CZ3 3.49Å; I152-W167 HydrophobicContact CB-CZ2 4.48Å; I152-W167 HydrophobicContact CD1-CH2 3.8Å; I152-W167 HydrophobicContact CD1-CZ2 3.37Å; I152-W167 HydrophobicContact CG2-CZ2 4.44Å
168L69.5Low76.1Confident57 Ų5794.9 Ų94.930%0.29846%0.464SS..SBendtrans-82.9137.6-179.6-65.6-178.7000109.7S166 E172 L173 Q176S166-L168 PolarHBondContact OG-N 2.93Å; L168-E172 HydrophobicContact CB-CB 3.82Å; L168-E172 HydrophobicContact CD1-CB 4.41Å; L168-E172 HydrophobicContact CD2-CB 3.95Å; L168-E172 HydrophobicContact CG-CB 4.27Å; L168-L173 HydrophobicContact CB-CD2 4.19Å; L168-L173 HydrophobicContact CB-CG 3.84Å; L168-L173 HydrophobicContact CD1-CD2 4.17Å; L168-Q176 VanDerWaalsContact CD1-CD 3.43Å; L168-Q176 HydrophobicContact CD1-CG 4.31Å
169T68.6Low74.3Confident77 Ų7798.1 Ų98.147%0.47248%0.484SS..  trans-58.6155.6166.462.80000109.9M171 E172 L173T169-M171 PolarHBondContact O-N 3Å; T169-E172 WeakPolarHBondContact CB-OE2 3.22Å; T169-E172 WeakPolarHBondContact CG2-OE2 2.83Å; T169-E172 PolarHBondContact N-OE2 3.01Å; T169-E172 PolarHBondContact O-N 2.94Å; T169-E172 VanDerWaalsContact OG1-CD 3.24Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.41Å; T169-E172 PolarHBondContact OG1-N 3.25Å; T169-E172 PolarHBondContact OG1-OE2 2.98Å; T169-L173 PolarHBondContact O-N 3.42Å
170Y66.5Low72.3Confident162 Ų16299 Ų9964%0.63549%0.492SS*.Hα-helixtrans-51.2-35174.5177.9-101.9000112.7R174Y170-R174 WeakPolarHBondContact O-CB 3.37Å; Y170-R174 PolarHBondContact O-N 3.19Å; Y170-R174 PolarHBondContact OH-NE 3.24Å
171M71Confident70.3Confident143 Ų143100.4 Ų100.470%0.70449%0.491SS*.Hα-helixtrans-68.4-39.3176.4-65.2-146.9-136.700113T169 R174 K175T169-M171 PolarHBondContact O-N 3Å; M171-R174 PolarHBondContact O-N 3.4Å; M171-K175 WeakPolarHBondContact O-CG 3.39Å; M171-K175 PolarHBondContact O-N 3.3Å
172E77.8Confident68.3Low84 Ų8497.3 Ų97.339%0.39348%0.478SS..Hα-helixtrans-70.7-40.1177.4-72.4160.5148.500111.7L168 T169 R174 K175 Q176L168-E172 HydrophobicContact CB-CB 3.82Å; L168-E172 HydrophobicContact CD1-CB 4.41Å; L168-E172 HydrophobicContact CD2-CB 3.95Å; L168-E172 HydrophobicContact CG-CB 4.27Å; T169-E172 WeakPolarHBondContact CB-OE2 3.22Å; T169-E172 WeakPolarHBondContact CG2-OE2 2.83Å; T169-E172 PolarHBondContact N-OE2 3.01Å; T169-E172 PolarHBondContact O-N 2.94Å; T169-E172 VanDerWaalsContact OG1-CD 3.24Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.41Å; T169-E172 PolarHBondContact OG1-N 3.25Å; T169-E172 PolarHBondContact OG1-OE2 2.98Å; E172-R174 VanDerWaalsContact C-N 3.32Å; E172-R174 PolarHBondContact O-N 3Å; E172-K175 PolarHBondContact O-N 2.75Å; E172-Q176 PolarHBondContact O-N 3.27Å
173L71.5Confident66.1Low61 Ų6198.8 Ų98.832%0.31949%0.49SS..Hα-helixtrans-58.3-44.3171.1-79171.2000111.6S166 L168 T169 K175 Q176 N177S166-L173 WeakPolarHBondContact OG-CD2 3.1Å; L168-L173 HydrophobicContact CB-CD2 4.19Å; L168-L173 HydrophobicContact CB-CG 3.84Å; L168-L173 HydrophobicContact CD1-CD2 4.17Å; T169-L173 PolarHBondContact O-N 3.42Å; L173-K175 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.41Å; L173-Q176 PolarHBondContact O-N 3.17Å; L173-N177 WeakPolarHBondContact O-CB 2.84Å; L173-N177 PolarHBondContact O-N 3.24Å
174R69Low63.7Low150 Ų150105.8 Ų105.857%0.56652%0.52SS*.Hα-helixtrans-61.5-41.5175.7-114.5-174.1174.6-168.6-2.2112.3Y170 M171 E172 Q178Y170-R174 WeakPolarHBondContact O-CB 3.37Å; Y170-R174 PolarHBondContact O-N 3.19Å; Y170-R174 PolarHBondContact OH-NE 3.24Å; M171-R174 PolarHBondContact O-N 3.4Å; E172-R174 VanDerWaalsContact C-N 3.32Å; E172-R174 PolarHBondContact O-N 3Å; R174-Q178 WeakPolarHBondContact O-CG 3.45Å; R174-Q178 PolarHBondContact O-N 2.84Å
175K75.4Confident61.7Low140 Ų140107.3 Ų107.361%0.60952%0.518SS*.Hα-helixtrans-64.5-44.4176.8-75.8176.5-179.7178.70111.5M171 E172 L173 Q178 T179M171-K175 WeakPolarHBondContact O-CG 3.39Å; M171-K175 PolarHBondContact O-N 3.3Å; E172-K175 PolarHBondContact O-N 2.75Å; L173-K175 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.41Å; K175-Q178 WeakPolarHBondContact O-CB 3.42Å; K175-Q178 PolarHBondContact O-N 3.1Å; K175-T179 PolarHBondContact O-N 3Å; K175-T179 PolarHBondContact O-OG1 2.9Å
176Q66.4Low59.9Low109 Ų109112.4 Ų112.451%0.50954%0.536SS..Hα-helixtrans-63.9-42.2176.4-87.5-169.4-11.900113L168 E172 L173 Q178 T179 C180L168-Q176 VanDerWaalsContact CD1-CD 3.43Å; L168-Q176 HydrophobicContact CD1-CG 4.31Å; E172-Q176 PolarHBondContact O-N 3.27Å; L173-Q176 PolarHBondContact O-N 3.17Å; Q176-Q178 VanDerWaalsContact C-N 3.29Å; Q176-Q178 PolarHBondContact O-N 3.07Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.25Å; Q176-T179 PolarHBondContact O-N 2.71Å; Q176-T179 PolarHBondContact O-OG1 2.82Å; Q176-C180 PolarHBondContact O-N 3.33Å
177N62.4Low58.4Low106 Ų106114.7 Ų114.757%0.56754%0.543SS*.Hα-helixtrans-63.1-37.1175-87-11.3000111.6L173 Q181L173-N177 WeakPolarHBondContact O-CB 2.84Å; L173-N177 PolarHBondContact O-N 3.24Å; N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 WeakPolarHBondContact O-CG 3.14Å; N177-Q181 PolarHBondContact O-N 3.15Å
178Q56Low57.1Low113 Ų113114.4 Ų114.453%0.52855%0.551SS.*Hα-helixtrans-65.1-41.8172.2-76.8176.3-1000112.2R174 K175 Q176 Q181 I182R174-Q178 WeakPolarHBondContact O-CG 3.45Å; R174-Q178 PolarHBondContact O-N 2.84Å; K175-Q178 WeakPolarHBondContact O-CB 3.42Å; K175-Q178 PolarHBondContact O-N 3.1Å; Q176-Q178 VanDerWaalsContact C-N 3.29Å; Q176-Q178 PolarHBondContact O-N 3.07Å; Q178-Q181 PolarHBondContact O-N 3.42Å; Q178-I182 WeakPolarHBondContact O-CD1 3.35Å; Q178-I182 WeakPolarHBondContact O-CG1 3.35Å; Q178-I182 PolarHBondContact O-N 3.39Å
179T52Low56Low88 Ų88119.8 Ų119.854%0.5458%0.575SS.*Hα-helixtrans-67.1-37175.8130000113.2K175 Q176 Q183K175-T179 PolarHBondContact O-N 3Å; K175-T179 PolarHBondContact O-OG1 2.9Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.25Å; Q176-T179 PolarHBondContact O-N 2.71Å; Q176-T179 PolarHBondContact O-OG1 2.82Å; T179-Q183 PolarHBondContact O-N 2.98Å
180C48.2Very low54.9Low64 Ų64122.7 Ų122.743%0.43259%0.586SS.*Hα-helixtrans-65.9-41.7172.2-78.80000111.7Q176 I182 Q183 F184Q176-C180 PolarHBondContact O-N 3.33Å; C180-I182 PolarHBondContact O-N 3.38Å; C180-Q183 WeakPolarHBondContact O-CB 3.44Å; C180-Q183 PolarHBondContact O-N 3.17Å; C180-Q183 VanDerWaalsContact O-N 3.12Å; C180-F184 VanDerWaalsContact O-CD2 3.32Å; C180-F184 WeakPolarHBondContact O-CD2 3.45Å; C180-F184 PolarHBondContact O-N 3.33Å; C180-F184 VanDerWaalsContact O-N 3.1Å
181Q45.1Very low53.4Low129 Ų129123.6 Ų123.660%0.60359%0.593SS**Hα-helixtrans-63.1-40.7176.1-77.6-176-44.500112.6N177 Q178 Q183 F184 E185N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 WeakPolarHBondContact O-CG 3.14Å; N177-Q181 PolarHBondContact O-N 3.15Å; Q178-Q181 PolarHBondContact O-N 3.42Å; Q181-Q183 PolarHBondContact O-N 3.05Å; Q181-F184 PolarHBondContact O-N 2.72Å; Q181-F184 VanDerWaalsContact O-N 3.17Å; Q181-E185 PolarHBondContact O-N 3.5Å
182I47Very low51.7Low96 Ų96129.4 Ų129.449%0.49262%0.619SS.*Hα-helixtrans-64.5-27174.7-65.5162.7000111.6Q178 C180Q178-I182 WeakPolarHBondContact O-CD1 3.35Å; Q178-I182 WeakPolarHBondContact O-CG1 3.35Å; Q178-I182 PolarHBondContact O-N 3.39Å; C180-I182 PolarHBondContact O-N 3.38Å
183Q43.2Very low50.4Low137 Ų137131.7 Ų131.764%0.6463%0.63SS**Hα-helixtrans-76.2-33.1174.3-112178.6-21.400113.2T179 C180 Q181T179-Q183 PolarHBondContact O-N 2.98Å; C180-Q183 WeakPolarHBondContact O-CB 3.44Å; C180-Q183 PolarHBondContact O-N 3.17Å; C180-Q183 VanDerWaalsContact O-N 3.12Å; Q181-Q183 PolarHBondContact O-N 3.05Å
184F40.3Very low49.3Very low151 Ų151135.4 Ų135.466%0.66265%0.646SS**Hα-helixtrans-74.3-38.4174.5-82.9-78.3000112.4C180 Q181 K186 L187C180-F184 VanDerWaalsContact O-CD2 3.32Å; C180-F184 WeakPolarHBondContact O-CD2 3.45Å; C180-F184 PolarHBondContact O-N 3.33Å; C180-F184 VanDerWaalsContact O-N 3.1Å; Q181-F184 PolarHBondContact O-N 2.72Å; Q181-F184 VanDerWaalsContact O-N 3.17Å; F184-K186 PolarHBondContact O-N 2.93Å; F184-L187 PolarHBondContact O-N 3.25Å; F184-L187 VanDerWaalsContact O-N 3.1Å
185E44.2Very low48.2Very low140 Ų140134.6 Ų134.665%0.65465%0.651SS**Hα-helixtrans-62.7-28.3175.6-74.4178.7168.100112.9Q181 L187Q181-E185 PolarHBondContact O-N 3.5Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 3.42Å
186K43.9Very low46.6Very low150 Ų150134.2 Ų134.265%0.65265%0.653SS**THydrogen-bonded Turntrans-74.9-11.7175.5-87.3-178.3172-179.80115.2F184F184-K186 PolarHBondContact O-N 2.93Å
187L41.1Very low45.3Very low117 Ų117135.8 Ų135.861%0.61366%0.662SS**THydrogen-bonded Turntrans-94.7-17.9177.6-80.2162.3000113F184 E185F184-L187 PolarHBondContact O-N 3.25Å; F184-L187 VanDerWaalsContact O-N 3.1Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 3.42Å
188D40.7Very low44.2Very low129 Ų129137.8 Ų137.869%0.6967%0.669SS**G310 helixtrans-83.8-9.3177.1-74.1-32.4000113.6I190D188-I190 VanDerWaalsContact C-N 3.31Å; D188-I190 PolarHBondContact O-N 2.83Å
189E46.3Very low43.4Very low170 Ų170139.6 Ų139.679%0.79468%0.679SS**G310 helixtrans-83.88.2172.6-74.5-173.2162.200114.5
190I44.6Very low42.7Very low137 Ų137143.5 Ų143.570%0.70369%0.689SS**G310 helixtrans-113.127.1176.3-50.5177.2000111.8D188D188-I190 VanDerWaalsContact C-N 3.31Å; D188-I190 PolarHBondContact O-N 2.83Å
191K34.4Very low42.2Very low181 Ų181150.2 Ų150.279%0.78771%0.711SS**  trans-128.270.1169.4-75.9-176.6179.7172.30111.5
192E36.2Very low42Very low265 Ų265152.1 Ų152.1100%1.23872%0.721SS**  trans-160.60152.2-108.1176.1-173.700109

Retrieved 192 of 192 residues in 67.7 ms (Link to these results)

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