A0A3Q0KJT4_SCHMA Loading...

DNA replication complex GINS protein PSF2

AlphaFold DB , UniProt , Accession A0A3Q0KJT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M74.7Confident91.5Very high103 Ų10368.9 Ų68.951%0.50736%0.364SS..  0132.10-149.2165.5178.200107.6E5 L6 L9 T154M1-E5 WeakPolarHBondContact CA-OE2 3.29Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M1-L6 HydrophobicContact CE-CD2 3.22Å; M1-L6 HydrophobicContact CE-CG 3.89Å; M1-L6 HydrophobicContact CG-CG 4.4Å; M1-L6 HydrophobicContact SD-CD2 3.87Å; M1-L6 HydrophobicContact SD-CG 4.38Å; M1-L9 HydrophobicContact CE-CD1 3.23Å; M1-T154 HydrophobicContact CB-CG2 4.24Å; M1-T154 WeakPolarHBondContact O-CG2 3.33Å
2N85.8Confident91.7Very high72 Ų7274.6 Ų74.639%0.38539%0.387SS..  trans-109.4164176.564.425.9000110A4 E5 L6N2-A4 PolarHBondContact O-N 2.79Å; N2-A4 PolarHBondContact OD1-N 2.84Å; N2-E5 PolarHBondContact N-OE2 3.21Å; N2-E5 VanDerWaalsContact N-OE2 3.15Å; N2-E5 PolarHBondContact ND2-OE1 2.96Å; N2-E5 PolarHBondContact O-N 3.46Å; N2-E5 VanDerWaalsContact OD1-CB 3.27Å; N2-E5 WeakPolarHBondContact OD1-CB 3.38Å; N2-E5 WeakPolarHBondContact OD1-CG 3.22Å; N2-E5 PolarHBondContact OD1-N 3.43Å; N2-L6 PolarHBondContact O-N 3.08Å
3P89Confident91.9Very high81 Ų8174.9 Ų74.953%0.52639%0.386SS..Hα-helixtrans-58.7-33-179.7-27.135.9000113.9L6 E7 M151P3-L6 WeakPolarHBondContact O-CB 3.29Å; P3-L6 PolarHBondContact O-N 3.27Å; P3-E7 PolarHBondContact O-N 2.86Å; P3-M151 HydrophobicContact CB-CE 4.37Å; P3-M151 HydrophobicContact CB-SD 4.27Å
4A92Very high92.1Very high64 Ų6472.6 Ų72.653%0.52939%0.39SS..Hα-helixtrans-68.3-35.8179.100000112.9N2 L6 E7 F8N2-A4 PolarHBondContact O-N 2.79Å; N2-A4 PolarHBondContact OD1-N 2.84Å; A4-L6 VanDerWaalsContact C-N 3.32Å; A4-E7 PolarHBondContact O-N 3.5Å; A4-F8 WeakPolarHBondContact O-CB 3.37Å; A4-F8 PolarHBondContact O-N 2.93Å
5E94.4Very high92.4Very high92 Ų9268.5 Ų68.543%0.4337%0.367SS..Hα-helixtrans-65-38173-76.8160.7-161.700111.1M1 N2 F8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.29Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; N2-E5 PolarHBondContact N-OE2 3.21Å; N2-E5 VanDerWaalsContact N-OE2 3.15Å; N2-E5 PolarHBondContact ND2-OE1 2.96Å; N2-E5 PolarHBondContact O-N 3.46Å; N2-E5 VanDerWaalsContact OD1-CB 3.27Å; N2-E5 WeakPolarHBondContact OD1-CB 3.38Å; N2-E5 WeakPolarHBondContact OD1-CG 3.22Å; N2-E5 PolarHBondContact OD1-N 3.43Å; E5-F8 PolarHBondContact O-N 2.79Å; E5-L9 VanDerWaalsContact O-CG 3.29Å; E5-L9 WeakPolarHBondContact O-CG 3.37Å; E5-L9 PolarHBondContact O-N 2.78Å
6L94.4Very high92.7Very high4 Ų467.4 Ų67.42%0.02136%0.364CS..Hα-helixtrans-67.8-42.4175.9-73.2172.6000112.3M1 N2 P3 A4 F8 L9 S10 E94 N150 M151 T154M1-L6 HydrophobicContact CE-CD2 3.22Å; M1-L6 HydrophobicContact CE-CG 3.89Å; M1-L6 HydrophobicContact CG-CG 4.4Å; M1-L6 HydrophobicContact SD-CD2 3.87Å; M1-L6 HydrophobicContact SD-CG 4.38Å; N2-L6 PolarHBondContact O-N 3.08Å; P3-L6 WeakPolarHBondContact O-CB 3.29Å; P3-L6 PolarHBondContact O-N 3.27Å; A4-L6 VanDerWaalsContact C-N 3.32Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 3.24Å; L6-L9 PolarHBondContact O-N 3.38Å; L6-S10 PolarHBondContact O-N 3.4Å; L6-E94 HydrophobicContact CB-CG 4.37Å; L6-N150 HydrophobicContact CD2-CB 3.55Å; L6-M151 HydrophobicContact CB-CE 3.87Å; L6-M151 HydrophobicContact CD1-CB 4.26Å; L6-M151 HydrophobicContact CD1-CE 3.85Å; L6-M151 HydrophobicContact CD1-SD 3.85Å; L6-T154 HydrophobicContact CD1-CG2 4.16Å; L6-T154 WeakPolarHBondContact CD1-OG1 3.39Å
7E94.5Very high93Very high82 Ų8263.4 Ų63.438%0.38334%0.342SS..Hα-helixtrans-56.5-49.8172.9-173.1179.4144.300110.3P3 A4 L9 S10 E11 L98P3-E7 PolarHBondContact O-N 2.86Å; A4-E7 PolarHBondContact O-N 3.5Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.48Å; E7-S10 WeakPolarHBondContact O-CB 3.39Å; E7-S10 PolarHBondContact O-N 2.84Å; E7-S10 PolarHBondContact O-OG 3.31Å; E7-E11 PolarHBondContact O-N 3.02Å; E7-L98 HydrophobicContact CG-CD1 3.85Å; E7-L98 HydrophobicContact CG-CD2 4.21Å; E7-L98 HydrophobicContact CG-CG 4.13Å; E7-L98 WeakPolarHBondContact OE1-CD2 3.15Å
8F95.6Very high93.3Very high132 Ų13261.6 Ų61.658%0.57933%0.334SS*.Hα-helixtrans-57.4-42.2176.3178.2-100.8000113A4 E5 L6 S10 E11A4-F8 WeakPolarHBondContact O-CB 3.37Å; A4-F8 PolarHBondContact O-N 2.93Å; E5-F8 PolarHBondContact O-N 2.79Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 3.24Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.37Å; F8-E11 WeakPolarHBondContact O-CB 3.36Å; F8-E11 PolarHBondContact O-N 2.94Å
9L95.5Very high93.5Very high80 Ų8058.4 Ų58.442%0.41932%0.316SS..Hα-helixtrans-68-32.2176.6-69.7171.9000112.6M1 E5 L6 E7 E11M1-L9 HydrophobicContact CE-CD1 3.23Å; E5-L9 VanDerWaalsContact O-CG 3.29Å; E5-L9 WeakPolarHBondContact O-CG 3.37Å; E5-L9 PolarHBondContact O-N 2.78Å; L6-L9 PolarHBondContact O-N 3.38Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.48Å; L9-E11 PolarHBondContact O-N 3.37Å
10S94.9Very high93.7Very high0 Ų061.6 Ų61.60%033%0.327CS..Hα-helixtrans-70.1-20.8176.579.30000112.9L6 E7 F8 E12 E13 E94L6-S10 PolarHBondContact O-N 3.4Å; E7-S10 WeakPolarHBondContact O-CB 3.39Å; E7-S10 PolarHBondContact O-N 2.84Å; E7-S10 PolarHBondContact O-OG 3.31Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.37Å; S10-E12 PolarHBondContact O-N 3.11Å; S10-E13 VanDerWaalsContact O-CB 3.23Å; S10-E13 WeakPolarHBondContact O-CB 3.4Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 VanDerWaalsContact O-N 3.16Å; S10-E94 VanDerWaalsContact OG-CB 3.26Å; S10-E94 WeakPolarHBondContact OG-CB 3.47Å
11E95.1Very high93.8Very high48 Ų4860.7 Ų60.722%0.22432%0.32CS..THydrogen-bonded Turntrans-69.5-17.6-179.5-75.1-174.317800114.1E7 F8 L9 E13 L46 W47 L98E7-E11 PolarHBondContact O-N 3.02Å; F8-E11 WeakPolarHBondContact O-CB 3.36Å; F8-E11 PolarHBondContact O-N 2.94Å; L9-E11 PolarHBondContact O-N 3.37Å; E11-E13 PolarHBondContact O-N 3.35Å; E11-L46 WeakPolarHBondContact O-CB 3.48Å; E11-L46 PolarHBondContact O-N 3.43Å; E11-L46 VanDerWaalsContact O-N 3.07Å; E11-W47 HydrophobicContact CB-CB 4.04Å; E11-W47 HydrophobicContact CG-CB 4.37Å; E11-W47 VanDerWaalsContact O-CD1 3.31Å; E11-W47 PolarHBondContact O-N 2.92Å; E11-W47 WeakPolarHBondContact OE2-CB 3.4Å; E11-L98 HydrophobicContact CG-CD1 4.16Å
12E94.1Very high94.9Very high137 Ų13762.8 Ų62.864%0.6433%0.327SS*.THydrogen-bonded Turntrans-73.2-15.6174.2-62.5-165.6157.300112.6S10S10-E12 PolarHBondContact O-N 3.11Å
13E94.8Very high95.4Very high79 Ų7963 Ų6337%0.36933%0.328SS..SBendtrans-62.2138.1-177.9-172.758.8-155.600111.8S10 E11 L15 P45 L46 H89 I95S10-E13 VanDerWaalsContact O-CB 3.23Å; S10-E13 WeakPolarHBondContact O-CB 3.4Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 VanDerWaalsContact O-N 3.16Å; E11-E13 PolarHBondContact O-N 3.35Å; E13-L15 PolarHBondContact O-N 3.29Å; E13-P45 CarbonylContact O-C 3.58Å; E13-P45 WeakPolarHBondContact O-CA 3.3Å; E13-L46 PolarHBondContact O-N 2.87Å; E13-H89 IonicContact OE1-NE2 2.88Å; E13-I95 HydrophobicContact CB-CD1 4.14Å; E13-I95 HydrophobicContact CG-CD1 3.84Å
14G94.8Very high95.7Very high43 Ų4364.7 Ų64.744%0.44333%0.332SS..EExtended strand (participates in β ladder)trans-75.4121.7-178.700000112.3
15L96.3Very high95.8Very high10 Ų1064.6 Ų64.65%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-118.9138176.7-167.377.9000111.4E13 V43 V44 L46 A49 I60 P63 L99E13-L15 PolarHBondContact O-N 3.29Å; L15-V43 WeakPolarHBondContact O-CA 3.33Å; L15-V44 PolarHBondContact N-O 3.03Å; L15-V44 PolarHBondContact O-N 3.12Å; L15-V44 VanDerWaalsContact O-O 3.07Å; L15-L46 HydrophobicContact CD2-CD1 3.87Å; L15-A49 HydrophobicContact CB-CB 4.36Å; L15-A49 HydrophobicContact CD2-CB 3.65Å; L15-I60 HydrophobicContact CD2-CB 4.47Å; L15-I60 HydrophobicContact CD2-CD1 4.32Å; L15-I60 HydrophobicContact CD2-CG1 4.15Å; L15-I60 HydrophobicContact CD2-CG2 3.56Å; L15-I60 HydrophobicContact CG-CG2 4.35Å; L15-P63 HydrophobicContact CD1-CG 3.67Å; L15-L99 HydrophobicContact CD1-CD1 4.26Å; L15-L99 HydrophobicContact CD2-CD2 3.78Å
16T97.2Very high95.8Very high51 Ų5163.4 Ų63.431%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-81.6126.3175.2-54.60000110.7P41 M61T16-P41 HydrophobicContact CG2-CB 3.92Å; T16-M61 HydrophobicContact CG2-CB 4.38Å; T16-M61 HydrophobicContact CG2-CG 4.28Å; T16-M61 HydrophobicContact CG2-SD 3.6Å; T16-M61 VanDerWaalsContact CG2-SD 3.6Å; T16-M61 WeakPolarHBondContact O-CB 3.43Å; T16-M61 PolarHBondContact O-N 3Å
17I97.6Very high95.9Very high0 Ų071.5 Ų71.50%036%0.359CS..EExtended strand (participates in β ladder)trans-121.5155.7173.365.9166.9000111.3F36 P41 T42 V44 A49 L52 C58 R59 I60I17-F36 HydrophobicContact CD1-CE1 4.28Å; I17-P41 CarbonylContact O-C 3.55Å; I17-P41 WeakPolarHBondContact O-CA 3.26Å; I17-T42 WeakPolarHBondContact CG1-O 3.42Å; I17-T42 PolarHBondContact N-O 3.46Å; I17-T42 PolarHBondContact O-N 3.25Å; I17-V44 HydrophobicContact CD1-CG1 4.26Å; I17-V44 HydrophobicContact CD1-CG2 3.73Å; I17-V44 HydrophobicContact CG1-CG1 4.5Å; I17-V44 HydrophobicContact CG1-CG2 3.9Å; I17-V44 HydrophobicContact CG2-CG2 4.04Å; I17-A49 HydrophobicContact CG2-CB 3.52Å; I17-L52 HydrophobicContact CD1-CD1 3.73Å; I17-C58 HydrophobicContact CB-CB 4.24Å; I17-C58 HydrophobicContact CD1-CB 3.95Å; I17-R59 CarbonylContact C-O 3.57Å; I17-R59 WeakPolarHBondContact CA-O 3.45Å; I17-I60 HydrophobicContact CG2-CG1 4.01Å
18V97.7Very high95.8Very high31 Ų3170.5 Ų70.519%0.18836%0.355CS..EExtended strand (participates in β ladder)trans-110.5100.4169.4-176.20000108P41 C58 R59 M61V18-P41 HydrophobicContact CG2-CG 4.34Å; V18-C58 CarbonylContact O-C 3.24Å; V18-C58 VanDerWaalsContact O-CA 3.3Å; V18-C58 WeakPolarHBondContact O-CA 3.43Å; V18-R59 HydrophobicContact CB-CB 4.47Å; V18-R59 PolarHBondContact N-O 2.86Å; V18-R59 PolarHBondContact O-N 2.97Å; V18-M61 HydrophobicContact CG2-CG 3.9Å; V18-M61 HydrophobicContact CG2-SD 3.79Å
19P97.9Very high95.7Very high0 Ų072.7 Ų72.70%037%0.372CS..EExtended strand (participates in β ladder)trans-73.9151.2-179.530.2-30.5000111.2F21 F36 F37 P38 N39 V40P19-F21 HydrophobicContact CB-CD1 3.99Å; P19-F21 HydrophobicContact CB-CE1 3.78Å; P19-F21 HydrophobicContact CB-CZ 4.43Å; P19-F36 HydrophobicContact CB-CB 4.37Å; P19-F36 HydrophobicContact CB-CD1 4.27Å; P19-F36 HydrophobicContact CG-CB 4.23Å; P19-F36 HydrophobicContact CG-CD1 4.2Å; P19-F37 WeakPolarHBondContact CG-O 3.29Å; P19-P38 CarbonylContact O-C 3.56Å; P19-P38 WeakPolarHBondContact O-CA 3.47Å; P19-N39 PolarHBondContact O-N 3.01Å; P19-V40 WeakPolarHBondContact CD-O 3.48Å
20K96.9Very high95.5Very high123 Ų12376.5 Ų76.554%0.53539%0.393SS..SBendtrans-102.86.1176.7-58.9177.7-174.91690112.4K57K20-K57 WeakPolarHBondContact CB-O 3.27Å; K20-K57 PolarHBondContact N-O 2.79Å
21F97Very high95.3Very high42 Ų4279.6 Ų79.618%0.18441%0.412CS..SBendtrans-131.1162.1-17567.7-81000110.9P19 L23 F36 F37 P38 L52 K57P19-F21 HydrophobicContact CB-CD1 3.99Å; P19-F21 HydrophobicContact CB-CE1 3.78Å; P19-F21 HydrophobicContact CB-CZ 4.43Å; F21-L23 HydrophobicContact CD2-CB 3.74Å; F21-L23 HydrophobicContact CE2-CB 3.52Å; F21-L23 HydrophobicContact CE2-CD2 3.82Å; F21-L23 HydrophobicContact CE2-CG 4.34Å; F21-F36 HydrophobicContact CD2-CB 4.37Å; F21-F36 HydrophobicContact CE2-CB 3.83Å; F21-F36 HydrophobicContact CE2-CD2 4.04Å; F21-F36 AromaticContact CE2-CG 3.91Å; F21-F36 HydrophobicContact CE2-CG 3.91Å; F21-F36 HydrophobicContact CZ-CB 4.06Å; F21-F36 HydrophobicContact CZ-CD1 4.12Å; F21-F36 HydrophobicContact CZ-CD2 4.18Å; F21-F36 AromaticContact CZ-CG 3.84Å; F21-F36 HydrophobicContact CZ-CG 3.84Å; F21-F37 CarbonylContact O-C 3.6Å; F21-P38 WeakPolarHBondContact O-CD 3.5Å; F21-L52 HydrophobicContact CE1-CD1 4.25Å; F21-L52 HydrophobicContact CE1-CD2 4.09Å; F21-L52 HydrophobicContact CZ-CD1 4.07Å; F21-L52 HydrophobicContact CZ-CD2 3.95Å; F21-K57 HydrophobicContact CD1-CB 3.77Å; F21-K57 HydrophobicContact CD1-CD 4.35Å; F21-K57 HydrophobicContact CD1-CG 4.33Å; F21-K57 WeakPolarHBondContact CD1-O 3.36Å; F21-K57 HydrophobicContact CE1-CB 3.88Å; F21-K57 HydrophobicContact CE1-CD 4.48Å
22K96.8Very high95.3Very high147 Ų14780.9 Ų80.964%0.63942%0.423SS*.  trans-103.5130.8171.5-173.2176.4176.5179.10109.3F36 F37 P38K22-F36 CarbonylContact C-O 3.51Å; K22-F36 VanDerWaalsContact CA-O 3.29Å; K22-F36 WeakPolarHBondContact CA-O 3.42Å; K22-F37 HydrophobicContact CG-CD1 4.33Å; K22-P38 HydrophobicContact CB-CG 4.32Å
23L96.4Very high95.3Very high78 Ų7875 Ų7541%0.40840%0.396SS..BIsolated β-bridgetrans-155.6138.4174-176.964.5000109.5F21 I26 F36F21-L23 HydrophobicContact CD2-CB 3.74Å; F21-L23 HydrophobicContact CE2-CB 3.52Å; F21-L23 HydrophobicContact CE2-CD2 3.82Å; F21-L23 HydrophobicContact CE2-CG 4.34Å; L23-I26 HydrophobicContact CD2-CD1 3.7Å; L23-I26 HydrophobicContact CD2-CG1 4.26Å; L23-F36 HydrophobicContact CB-CB 4.22Å; L23-F36 HydrophobicContact CB-CD2 4.01Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CD2-CE2 4.48Å; L23-F36 HydrophobicContact CG-CD2 4.36Å; L23-F36 PolarHBondContact N-O 3.47Å; L23-F36 PolarHBondContact O-N 3.27Å
24D95.6Very high95.2Very high116 Ų11672.3 Ų72.362%0.6239%0.389SS*.  trans-67.9164.5176.3-63-36.3000111.2I26D24-I26 PolarHBondContact O-N 3.07Å
25S94.4Very high95.2Very high62 Ų6273 Ų7343%0.43439%0.386SS..  trans-57.2135.6178.854.10000111.9I33S25-I33 CarbonylContact C-O 3.57Å; S25-I33 WeakPolarHBondContact CA-O 3.35Å
26I95.2Very high95.3Very high67 Ų6772.6 Ų72.634%0.34438%0.384SS..EExtended strand (participates in β ladder)trans-107.3121177.5-49.2176.1000108.1L23 D24 L28 T32 I33 F36L23-I26 HydrophobicContact CD2-CD1 3.7Å; L23-I26 HydrophobicContact CD2-CG1 4.26Å; D24-I26 PolarHBondContact O-N 3.07Å; I26-L28 HydrophobicContact CG2-CD2 4.05Å; I26-T32 WeakPolarHBondContact O-CA 3.45Å; I26-I33 HydrophobicContact CB-CD1 4.46Å; I26-I33 HydrophobicContact CB-CG1 3.9Å; I26-I33 HydrophobicContact CD1-CD1 4.3Å; I26-I33 HydrophobicContact CD1-CG1 4.48Å; I26-I33 HydrophobicContact CG1-CG1 4.5Å; I26-I33 PolarHBondContact N-O 2.79Å; I26-I33 PolarHBondContact O-N 2.78Å; I26-F36 HydrophobicContact CD1-CE2 4.47Å
27K95Very high95.3Very high174 Ų17474.4 Ų74.476%0.75739%0.388SS*.EExtended strand (participates in β ladder)trans-84.2112.5173.2-65.3-176.7178.3-179.90109.3T32K27-T32 HydrophobicContact CG-CG2 4.17Å
28L93.1Very high95.2Very high60 Ų6077.2 Ų77.231%0.31441%0.406SS..  trans-90.9177.5168.8-51.9178000109.5I26 N30 T31 I33 W47I26-L28 HydrophobicContact CG2-CD2 4.05Å; L28-N30 PolarHBondContact O-N 2.93Å; L28-T31 CarbonylContact C-O 3.57Å; L28-T31 VanDerWaalsContact CA-O 3.29Å; L28-T31 WeakPolarHBondContact CA-O 3.48Å; L28-T31 HydrophobicContact CB-CG2 4.35Å; L28-T31 VanDerWaalsContact CB-O 3.22Å; L28-T31 WeakPolarHBondContact CB-O 3.44Å; L28-T31 HydrophobicContact CD1-CG2 4.02Å; L28-T31 PolarHBondContact N-O 2.89Å; L28-I33 HydrophobicContact CD1-CD1 4.14Å; L28-I33 HydrophobicContact CD1-CG1 4.32Å; L28-I33 HydrophobicContact CD1-CG2 4.16Å; L28-I33 HydrophobicContact CG-CG1 4.48Å; L28-W47 HydrophobicContact CD1-CH2 3.79Å; L28-W47 HydrophobicContact CD1-CZ2 3.72Å
29L93.9Very high95.1Very high179 Ų17981.9 Ų81.994%0.93743%0.43SS*.SBendtrans-57.5-48.4-178.9-67.3168.2000112.4
30N90.3Very high95.1Very high160 Ų16085.2 Ų85.286%0.85645%0.45SS*.SBendtrans-108.6-12.6-172.6-64-4.3000113.5L28L28-N30 PolarHBondContact O-N 2.93Å
31T90.9Very high95.1Very high65 Ų6583.1 Ų83.140%0.39945%0.449SS..  trans-153.1161.1-173.1-170.70000111.7L28 I33L28-T31 CarbonylContact C-O 3.57Å; L28-T31 VanDerWaalsContact CA-O 3.29Å; L28-T31 WeakPolarHBondContact CA-O 3.48Å; L28-T31 HydrophobicContact CB-CG2 4.35Å; L28-T31 VanDerWaalsContact CB-O 3.22Å; L28-T31 WeakPolarHBondContact CB-O 3.44Å; L28-T31 HydrophobicContact CD1-CG2 4.02Å; L28-T31 PolarHBondContact N-O 2.89Å; T31-I33 HydrophobicContact CG2-CG2 4.31Å
32T95Very high95.1Very high75 Ų7582 Ų8246%0.4645%0.446SS..EExtended strand (participates in β ladder)trans-112.5127.2171.1-600000108.2I26 K27I26-T32 WeakPolarHBondContact O-CA 3.45Å; K27-T32 HydrophobicContact CG-CG2 4.17Å
33I95.4Very high95.1Very high13 Ų1379.5 Ų79.57%0.06744%0.443CS..EExtended strand (participates in β ladder)trans-107.6147177.660.8171.8000110.6S25 I26 L28 T31 F36 V44 P45 V48S25-I33 CarbonylContact C-O 3.57Å; S25-I33 WeakPolarHBondContact CA-O 3.35Å; I26-I33 HydrophobicContact CB-CD1 4.46Å; I26-I33 HydrophobicContact CB-CG1 3.9Å; I26-I33 HydrophobicContact CD1-CD1 4.3Å; I26-I33 HydrophobicContact CD1-CG1 4.48Å; I26-I33 HydrophobicContact CG1-CG1 4.5Å; I26-I33 PolarHBondContact N-O 2.79Å; I26-I33 PolarHBondContact O-N 2.78Å; L28-I33 HydrophobicContact CD1-CD1 4.14Å; L28-I33 HydrophobicContact CD1-CG1 4.32Å; L28-I33 HydrophobicContact CD1-CG2 4.16Å; L28-I33 HydrophobicContact CG-CG1 4.48Å; T31-I33 HydrophobicContact CG2-CG2 4.31Å; I33-F36 HydrophobicContact CB-CZ 4.23Å; I33-F36 HydrophobicContact CD1-CE2 4.46Å; I33-F36 HydrophobicContact CD1-CZ 4.2Å; I33-F36 HydrophobicContact CG1-CE2 4.36Å; I33-F36 HydrophobicContact CG1-CZ 4.26Å; I33-V44 HydrophobicContact CB-CG1 4.49Å; I33-P45 HydrophobicContact CG2-CG 4.48Å; I33-V48 HydrophobicContact CD1-CG1 3.99Å; I33-V48 HydrophobicContact CD1-CG2 4.17Å
34G91.7Very high95.1Very high22 Ų2276 Ų7623%0.22742%0.424CS..  trans79.1-168.4-173.600000112.9
35P95.8Very high95.2Very high58 Ų5871.3 Ų71.338%0.37740%0.4SS..  cis-65.2149.46.728.6-36.5000113.3F37P35-F37 HydrophobicContact CB-CD2 4.41Å; P35-F37 HydrophobicContact CB-CE2 3.77Å; P35-F37 HydrophobicContact CB-CZ 4.25Å; P35-F37 HydrophobicContact CG-CD2 4.44Å; P35-F37 HydrophobicContact CG-CE2 3.68Å; P35-F37 HydrophobicContact CG-CZ 4.41Å
36F97.4Very high95.3Very high2 Ų268.5 Ų68.51%0.00938%0.38CS..BIsolated β-bridgetrans-98.5124.5177.6-58.9-80.1000109.8I17 P19 F21 K22 L23 I26 I33 T42 V44 L52I17-F36 HydrophobicContact CD1-CE1 4.28Å; P19-F36 HydrophobicContact CB-CB 4.37Å; P19-F36 HydrophobicContact CB-CD1 4.27Å; P19-F36 HydrophobicContact CG-CB 4.23Å; P19-F36 HydrophobicContact CG-CD1 4.2Å; F21-F36 HydrophobicContact CD2-CB 4.37Å; F21-F36 HydrophobicContact CE2-CB 3.83Å; F21-F36 HydrophobicContact CE2-CD2 4.04Å; F21-F36 AromaticContact CE2-CG 3.91Å; F21-F36 HydrophobicContact CE2-CG 3.91Å; F21-F36 HydrophobicContact CZ-CB 4.06Å; F21-F36 HydrophobicContact CZ-CD1 4.12Å; F21-F36 HydrophobicContact CZ-CD2 4.18Å; F21-F36 AromaticContact CZ-CG 3.84Å; F21-F36 HydrophobicContact CZ-CG 3.84Å; K22-F36 CarbonylContact C-O 3.51Å; K22-F36 VanDerWaalsContact CA-O 3.29Å; K22-F36 WeakPolarHBondContact CA-O 3.42Å; L23-F36 HydrophobicContact CB-CB 4.22Å; L23-F36 HydrophobicContact CB-CD2 4.01Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CD2-CE2 4.48Å; L23-F36 HydrophobicContact CG-CD2 4.36Å; L23-F36 PolarHBondContact N-O 3.47Å; L23-F36 PolarHBondContact O-N 3.27Å; I26-F36 HydrophobicContact CD1-CE2 4.47Å; I33-F36 HydrophobicContact CB-CZ 4.23Å; I33-F36 HydrophobicContact CD1-CE2 4.46Å; I33-F36 HydrophobicContact CD1-CZ 4.2Å; I33-F36 HydrophobicContact CG1-CE2 4.36Å; I33-F36 HydrophobicContact CG1-CZ 4.26Å; F36-T42 HydrophobicContact CD1-CG2 4.32Å; F36-T42 HydrophobicContact CE1-CG2 4.3Å; F36-V44 HydrophobicContact CE1-CG1 3.63Å; F36-V44 HydrophobicContact CZ-CG1 3.93Å; F36-L52 HydrophobicContact CE1-CD1 4.18Å; F36-L52 HydrophobicContact CZ-CD1 4.41Å
37F96.9Very high95.3Very high88 Ų8870.4 Ų70.439%0.38638%0.383SS..  trans-123.5136.7173.7-66.5-78.8000110.6P19 F21 K22 P35 N39 V40P19-F37 WeakPolarHBondContact CG-O 3.29Å; F21-F37 CarbonylContact O-C 3.6Å; K22-F37 HydrophobicContact CG-CD1 4.33Å; P35-F37 HydrophobicContact CB-CD2 4.41Å; P35-F37 HydrophobicContact CB-CE2 3.77Å; P35-F37 HydrophobicContact CB-CZ 4.25Å; P35-F37 HydrophobicContact CG-CD2 4.44Å; P35-F37 HydrophobicContact CG-CE2 3.68Å; P35-F37 HydrophobicContact CG-CZ 4.41Å; F37-N39 PolarHBondContact O-N 3.3Å; F37-V40 HydrophobicContact CB-CB 3.94Å; F37-V40 HydrophobicContact CB-CG2 3.73Å; F37-V40 PolarHBondContact O-N 2.95Å; F37-V40 VanDerWaalsContact O-N 3.08Å
38P96.8Very high95.4Very high60 Ų6062.3 Ų62.339%0.3935%0.349SS..THydrogen-bonded Turntrans-53.2130.2179.5-25.433.1000112P19 F21 K22 V40P19-P38 CarbonylContact O-C 3.56Å; P19-P38 WeakPolarHBondContact O-CA 3.47Å; F21-P38 WeakPolarHBondContact O-CD 3.5Å; K22-P38 HydrophobicContact CB-CG 4.32Å; P38-V40 PolarHBondContact O-N 3.29Å
39N95.5Very high95.6Very high128 Ų12859.5 Ų59.568%0.68433%0.334SS*.THydrogen-bonded Turntrans63.415.8178.6-51.2-51.5000115.5P19 F37P19-N39 PolarHBondContact O-N 3.01Å; F37-N39 PolarHBondContact O-N 3.3Å
40V97.1Very high95.7Very high70 Ų7052 Ų5242%0.42430%0.295SS..  trans-107.1118.7175.4-178.30000109.8P19 F37 P38 T42P19-V40 WeakPolarHBondContact CD-O 3.48Å; F37-V40 HydrophobicContact CB-CB 3.94Å; F37-V40 HydrophobicContact CB-CG2 3.73Å; F37-V40 PolarHBondContact O-N 2.95Å; F37-V40 VanDerWaalsContact O-N 3.08Å; P38-V40 PolarHBondContact O-N 3.29Å; V40-T42 PolarHBondContact O-N 2.9Å; V40-T42 PolarHBondContact O-OG1 2.91Å
41P97.4Very high96Very high79 Ų7950.3 Ų50.351%0.51328%0.28SS..  trans-54.8131.6177.5-25.334000112.2T16 I17 V18 M61T16-P41 HydrophobicContact CG2-CB 3.92Å; I17-P41 CarbonylContact O-C 3.55Å; I17-P41 WeakPolarHBondContact O-CA 3.26Å; V18-P41 HydrophobicContact CG2-CG 4.34Å; P41-M61 HydrophobicContact CB-SD 4.31Å; P41-M61 HydrophobicContact CG-SD 4.4Å
42T96.6Very high96.3Very high19 Ų1948 Ų4812%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-136.5135-179.5-52.80000109.2I17 F36 V40 V44I17-T42 WeakPolarHBondContact CG1-O 3.42Å; I17-T42 PolarHBondContact N-O 3.46Å; I17-T42 PolarHBondContact O-N 3.25Å; F36-T42 HydrophobicContact CD1-CG2 4.32Å; F36-T42 HydrophobicContact CE1-CG2 4.3Å; V40-T42 PolarHBondContact O-N 2.9Å; V40-T42 PolarHBondContact O-OG1 2.91Å; T42-V44 HydrophobicContact CG2-CG1 4.4Å
43V97Very high96.4Very high95 Ų9546 Ų4658%0.57625%0.249SC*.EExtended strand (participates in β ladder)trans-85.9128.9176.2-1780000109.2L15L15-V43 WeakPolarHBondContact O-CA 3.33Å
44V96.4Very high96.4Very high3 Ų348.7 Ų48.72%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-138.4156.4175.1-62.80000110L15 I17 I33 F36 T42 V48 A49L15-V44 PolarHBondContact N-O 3.03Å; L15-V44 PolarHBondContact O-N 3.12Å; L15-V44 VanDerWaalsContact O-O 3.07Å; I17-V44 HydrophobicContact CD1-CG1 4.26Å; I17-V44 HydrophobicContact CD1-CG2 3.73Å; I17-V44 HydrophobicContact CG1-CG1 4.5Å; I17-V44 HydrophobicContact CG1-CG2 3.9Å; I17-V44 HydrophobicContact CG2-CG2 4.04Å; I33-V44 HydrophobicContact CB-CG1 4.49Å; F36-V44 HydrophobicContact CE1-CG1 3.63Å; F36-V44 HydrophobicContact CZ-CG1 3.93Å; T42-V44 HydrophobicContact CG2-CG1 4.4Å; V44-V48 HydrophobicContact CB-CB 4.01Å; V44-V48 HydrophobicContact CB-CG1 3.99Å; V44-V48 HydrophobicContact CG1-CG1 4.25Å; V44-V48 HydrophobicContact CG2-CB 4.09Å; V44-V48 HydrophobicContact CG2-CG1 4.12Å; V44-A49 HydrophobicContact CG2-CB 3.84Å
45P96.7Very high96.6Very high19 Ų1951.6 Ų51.612%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-55.3147.6170.1-24.334.1000111.8E13 I33 W47 V48 A49E13-P45 CarbonylContact O-C 3.58Å; E13-P45 WeakPolarHBondContact O-CA 3.3Å; I33-P45 HydrophobicContact CG2-CG 4.48Å; P45-W47 VanDerWaalsContact C-N 3.28Å; P45-W47 HydrophobicContact CB-CG 4.38Å; P45-W47 PolarHBondContact O-N 3.3Å; P45-V48 HydrophobicContact CB-CG2 4.25Å; P45-V48 HydrophobicContact CG-CG2 4.26Å; P45-V48 WeakPolarHBondContact O-CA 3.39Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.41Å; P45-A49 PolarHBondContact O-N 2.99Å
46L97Very high96.6Very high2 Ų256.1 Ų56.11%0.0130%0.303CS..Hα-helixtrans-54.5-41.7-177.3174.863.4000112.2E11 E13 L15 V48 A49 L50 I95 L98 L99E11-L46 WeakPolarHBondContact O-CB 3.48Å; E11-L46 PolarHBondContact O-N 3.43Å; E11-L46 VanDerWaalsContact O-N 3.07Å; E13-L46 PolarHBondContact O-N 2.87Å; L15-L46 HydrophobicContact CD2-CD1 3.87Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 3.45Å; L46-A49 WeakPolarHBondContact O-CB 3.46Å; L46-A49 PolarHBondContact O-N 3.33Å; L46-A49 VanDerWaalsContact O-N 3.12Å; L46-L50 HydrophobicContact CD1-CD1 4.07Å; L46-L50 HydrophobicContact CD1-CD2 4.38Å; L46-L50 HydrophobicContact CD1-CG 3.97Å; L46-L50 HydrophobicContact CG-CD1 4Å; L46-L50 HydrophobicContact CG-CG 4.33Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.45Å; L46-I95 HydrophobicContact CD2-CG1 4.14Å; L46-I95 HydrophobicContact CD2-CG2 4.33Å; L46-L98 HydrophobicContact CD2-CD1 3.75Å; L46-L99 HydrophobicContact CD1-CD2 3.8Å; L46-L99 HydrophobicContact CD1-CG 4.37Å
47W96.3Very high96.5Very high107 Ų10760.3 Ų60.341%0.40532%0.322SS..Hα-helixtrans-59.5-37.2175.964.6-94.7000113.1E11 L28 P45 F51E11-W47 HydrophobicContact CB-CB 4.04Å; E11-W47 HydrophobicContact CG-CB 4.37Å; E11-W47 VanDerWaalsContact O-CD1 3.31Å; E11-W47 PolarHBondContact O-N 2.92Å; E11-W47 WeakPolarHBondContact OE2-CB 3.4Å; L28-W47 HydrophobicContact CD1-CH2 3.79Å; L28-W47 HydrophobicContact CD1-CZ2 3.72Å; P45-W47 VanDerWaalsContact C-N 3.28Å; P45-W47 HydrophobicContact CB-CG 4.38Å; P45-W47 PolarHBondContact O-N 3.3Å; W47-F51 VanDerWaalsContact O-CB 3.29Å; W47-F51 WeakPolarHBondContact O-CB 3.23Å; W47-F51 PolarHBondContact O-N 3.21Å
48V96.3Very high96.5Very high5 Ų556.1 Ų56.13%0.0330%0.303CS..Hα-helixtrans-68.7-43.6175.9-179.90000110I33 V44 P45 L46 L50 F51 L52I33-V48 HydrophobicContact CD1-CG1 3.99Å; I33-V48 HydrophobicContact CD1-CG2 4.17Å; V44-V48 HydrophobicContact CB-CB 4.01Å; V44-V48 HydrophobicContact CB-CG1 3.99Å; V44-V48 HydrophobicContact CG1-CG1 4.25Å; V44-V48 HydrophobicContact CG2-CB 4.09Å; V44-V48 HydrophobicContact CG2-CG1 4.12Å; P45-V48 HydrophobicContact CB-CG2 4.25Å; P45-V48 HydrophobicContact CG-CG2 4.26Å; P45-V48 WeakPolarHBondContact O-CA 3.39Å; P45-V48 WeakPolarHBondContact O-CB 3.29Å; P45-V48 PolarHBondContact O-N 3.41Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 3.45Å; V48-L50 PolarHBondContact O-N 3.16Å; V48-F51 PolarHBondContact O-N 3.44Å; V48-L52 HydrophobicContact CG1-CD1 3.88Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CB 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.44Å; V48-L52 PolarHBondContact O-N 2.96Å
49A97.1Very high96.5Very high0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-59.3-47.7178.800000111.3L15 I17 V44 P45 L46 L52 R53 I60L15-A49 HydrophobicContact CB-CB 4.36Å; L15-A49 HydrophobicContact CD2-CB 3.65Å; I17-A49 HydrophobicContact CG2-CB 3.52Å; V44-A49 HydrophobicContact CG2-CB 3.84Å; P45-A49 PolarHBondContact O-N 2.99Å; L46-A49 WeakPolarHBondContact O-CB 3.46Å; L46-A49 PolarHBondContact O-N 3.33Å; L46-A49 VanDerWaalsContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 3.24Å; A49-R53 VanDerWaalsContact O-CB 3.26Å; A49-R53 WeakPolarHBondContact O-CB 3.11Å; A49-R53 PolarHBondContact O-N 2.98Å; A49-I60 HydrophobicContact CB-CD1 4.42Å; A49-I60 HydrophobicContact CB-CG1 4.42Å
50L96.8Very high96.6Very high23 Ų2354 Ų5412%0.1228%0.278CS..Hα-helixtrans-64-43.4178.4-66.2174.9000111.6L46 V48 R53 G54 I60 L98 L99 H102L46-L50 HydrophobicContact CD1-CD1 4.07Å; L46-L50 HydrophobicContact CD1-CD2 4.38Å; L46-L50 HydrophobicContact CD1-CG 3.97Å; L46-L50 HydrophobicContact CG-CD1 4Å; L46-L50 HydrophobicContact CG-CG 4.33Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.45Å; V48-L50 PolarHBondContact O-N 3.16Å; L50-R53 PolarHBondContact O-N 3.27Å; L50-G54 PolarHBondContact O-N 3.34Å; L50-I60 HydrophobicContact CD2-CD1 4.36Å; L50-L98 HydrophobicContact CD1-CB 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.22Å; L50-L98 HydrophobicContact CD1-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CG 4.41Å; L50-L99 HydrophobicContact CD2-CD2 4.39Å; L50-H102 HydrophobicContact CD2-CB 3.86Å
51F96.5Very high96.6Very high124 Ų12454.8 Ų54.854%0.54428%0.278SS..Hα-helixtrans-59.9-48.5176.3177.2-102.9000112.6W47 V48 R53 G54 Q55W47-F51 VanDerWaalsContact O-CB 3.29Å; W47-F51 WeakPolarHBondContact O-CB 3.23Å; W47-F51 PolarHBondContact O-N 3.21Å; V48-F51 PolarHBondContact O-N 3.44Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.45Å; F51-G54 PolarHBondContact O-N 3.18Å; F51-Q55 VanDerWaalsContact CE1-NE2 3.34Å; F51-Q55 PolarHBondContact O-N 2.63Å
52L96.6Very high96.4Very high16 Ų1652.8 Ų52.88%0.08427%0.266CS..Hα-helixtrans-67.6-33.8178.5-70.4176.5000112.1I17 F21 F36 V48 A49 Q55 Q56 K57 C58I17-L52 HydrophobicContact CD1-CD1 3.73Å; F21-L52 HydrophobicContact CE1-CD1 4.25Å; F21-L52 HydrophobicContact CE1-CD2 4.09Å; F21-L52 HydrophobicContact CZ-CD1 4.07Å; F21-L52 HydrophobicContact CZ-CD2 3.95Å; F36-L52 HydrophobicContact CE1-CD1 4.18Å; F36-L52 HydrophobicContact CZ-CD1 4.41Å; V48-L52 HydrophobicContact CG1-CD1 3.88Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CB 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.44Å; V48-L52 PolarHBondContact O-N 2.96Å; A49-L52 PolarHBondContact O-N 3.24Å; L52-Q55 PolarHBondContact O-N 3.03Å; L52-Q56 PolarHBondContact O-N 3.15Å; L52-K57 HydrophobicContact CD2-CD 4.44Å; L52-K57 PolarHBondContact O-N 2.92Å; L52-C58 HydrophobicContact CB-CB 4.42Å; L52-C58 VanDerWaalsContact CB-SG 3.53Å
53R96.3Very high96.4Very high33 Ų3353 Ų5313%0.12527%0.268CS..Hα-helixtrans-65.9-42.6175.2176.562.8-163.5-172.51.9111.5A49 L50 F51 Q55 Q56 C58 I60 A103 E105 D106A49-R53 VanDerWaalsContact O-CB 3.26Å; A49-R53 WeakPolarHBondContact O-CB 3.11Å; A49-R53 PolarHBondContact O-N 2.98Å; L50-R53 PolarHBondContact O-N 3.27Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.45Å; R53-Q55 PolarHBondContact O-N 3.49Å; R53-Q56 WeakPolarHBondContact O-CA 3.1Å; R53-Q56 PolarHBondContact O-N 3.36Å; R53-C58 PolarHBondContact N-SG 3.23Å; R53-C58 VanDerWaalsContact N-SG 3.43Å; R53-I60 HydrophobicContact CB-CD1 3.79Å; R53-I60 HydrophobicContact CB-CG1 4.39Å; R53-I60 HydrophobicContact CG-CD1 3.98Å; R53-A103 HydrophobicContact CG-CB 4.3Å; R53-E105 IonicContact NH2-OE2 3.58Å; R53-E105 PolarHBondContact NH2-OE2 2.82Å; R53-D106 IonicContact CZ-OD1 3.51Å; R53-D106 IonicContact CZ-OD2 3.57Å; R53-D106 IonicContact NE-OD2 3.66Å; R53-D106 IonicContact NH1-OD1 2.88Å; R53-D106 PolarHBondContact NH1-OD1 2.88Å; R53-D106 IonicContact NH1-OD2 3.96Å; R53-D106 PolarHBondContact NH1-OD2 2.75Å; R53-D106 IonicContact NH2-OD1 3.32Å
54G95.7Very high96.3Very high69 Ų6952.7 Ų52.771%0.71128%0.276SS*.Hα-helixtrans-58.8-29175.300000113.3L50 F51 Q56L50-G54 PolarHBondContact O-N 3.34Å; F51-G54 PolarHBondContact O-N 3.18Å; G54-Q56 VanDerWaalsContact C-N 3.31Å
55Q96.4Very high96.2Very high83 Ų8354.8 Ų54.839%0.38828%0.283SS..THydrogen-bonded Turntrans-87.26.4173.1-61.4-175.76.600114F51 L52 R53 K57F51-Q55 VanDerWaalsContact CE1-NE2 3.34Å; F51-Q55 PolarHBondContact O-N 2.63Å; L52-Q55 PolarHBondContact O-N 3.03Å; R53-Q55 PolarHBondContact O-N 3.49Å; Q55-K57 HydrophobicContact CB-CD 4.11Å; Q55-K57 HydrophobicContact CB-CG 4.07Å; Q55-K57 PolarHBondContact O-N 3.4Å; Q55-K57 VanDerWaalsContact O-N 3.11Å
56Q95.6Very high96.2Very high153 Ų15353.9 Ų53.972%0.71528%0.277SS*.THydrogen-bonded Turntrans57.820.3-175.9-55.7179.7-10.100114.4L52 R53 G54L52-Q56 PolarHBondContact O-N 3.15Å; R53-Q56 WeakPolarHBondContact O-CA 3.1Å; R53-Q56 PolarHBondContact O-N 3.36Å; G54-Q56 VanDerWaalsContact C-N 3.31Å
57K96.4Very high96.1Very high90 Ų9055.4 Ų55.439%0.39129%0.29SS..  trans-88-11.5-175.1-77.6-178.4-178.9166.10114.2K20 F21 L52 Q55K20-K57 WeakPolarHBondContact CB-O 3.27Å; K20-K57 PolarHBondContact N-O 2.79Å; F21-K57 HydrophobicContact CD1-CB 3.77Å; F21-K57 HydrophobicContact CD1-CD 4.35Å; F21-K57 HydrophobicContact CD1-CG 4.33Å; F21-K57 WeakPolarHBondContact CD1-O 3.36Å; F21-K57 HydrophobicContact CE1-CB 3.88Å; F21-K57 HydrophobicContact CE1-CD 4.48Å; L52-K57 HydrophobicContact CD2-CD 4.44Å; L52-K57 PolarHBondContact O-N 2.92Å; Q55-K57 HydrophobicContact CB-CD 4.11Å; Q55-K57 HydrophobicContact CB-CG 4.07Å; Q55-K57 PolarHBondContact O-N 3.4Å; Q55-K57 VanDerWaalsContact O-N 3.11Å
58C96.7Very high96Very high0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-142.7163.8175.665.90000111.6I17 V18 L52 R53I17-C58 HydrophobicContact CB-CB 4.24Å; I17-C58 HydrophobicContact CD1-CB 3.95Å; V18-C58 CarbonylContact O-C 3.24Å; V18-C58 VanDerWaalsContact O-CA 3.3Å; V18-C58 WeakPolarHBondContact O-CA 3.43Å; L52-C58 HydrophobicContact CB-CB 4.42Å; L52-C58 VanDerWaalsContact CB-SG 3.53Å; R53-C58 PolarHBondContact N-SG 3.23Å; R53-C58 VanDerWaalsContact N-SG 3.43Å
59R96.9Very high96Very high143 Ų14359.5 Ų59.554%0.5432%0.315SS..EExtended strand (participates in β ladder)trans-105.3132.5162.4-176.4179.5179.8-178.2-0.7107.8I17 V18 D106I17-R59 CarbonylContact C-O 3.57Å; I17-R59 WeakPolarHBondContact CA-O 3.45Å; V18-R59 HydrophobicContact CB-CB 4.47Å; V18-R59 PolarHBondContact N-O 2.86Å; V18-R59 PolarHBondContact O-N 2.97Å; R59-D106 HydrophobicContact CG-CB 4.3Å
60I97.1Very high95.9Very high1 Ų164 Ų641%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-80.4139.2174.3-74.7167000109.1L15 I17 A49 L50 R53 L99 A103 D106L15-I60 HydrophobicContact CD2-CB 4.47Å; L15-I60 HydrophobicContact CD2-CD1 4.32Å; L15-I60 HydrophobicContact CD2-CG1 4.15Å; L15-I60 HydrophobicContact CD2-CG2 3.56Å; L15-I60 HydrophobicContact CG-CG2 4.35Å; I17-I60 HydrophobicContact CG2-CG1 4.01Å; A49-I60 HydrophobicContact CB-CD1 4.42Å; A49-I60 HydrophobicContact CB-CG1 4.42Å; L50-I60 HydrophobicContact CD2-CD1 4.36Å; R53-I60 HydrophobicContact CB-CD1 3.79Å; R53-I60 HydrophobicContact CB-CG1 4.39Å; R53-I60 HydrophobicContact CG-CD1 3.98Å; I60-L99 HydrophobicContact CD1-CD2 4.28Å; I60-L99 HydrophobicContact CG2-CD2 4.08Å; I60-A103 HydrophobicContact CB-CB 4.34Å; I60-A103 HydrophobicContact CD1-CB 3.58Å; I60-A103 HydrophobicContact CG1-CB 4.49Å; I60-D106 HydrophobicContact CB-CB 4.39Å; I60-D106 PolarHBondContact N-OD2 3.43Å; I60-D106 WeakPolarHBondContact O-CB 3.42Å
61M96.3Very high95.8Very high86 Ų8663 Ų6342%0.42433%0.329SS..PPolyproline II helixtrans-92.9126.4168.8-64.5-172.461.500109.2T16 V18 P41T16-M61 HydrophobicContact CG2-CB 4.38Å; T16-M61 HydrophobicContact CG2-CG 4.28Å; T16-M61 HydrophobicContact CG2-SD 3.6Å; T16-M61 VanDerWaalsContact CG2-SD 3.6Å; T16-M61 WeakPolarHBondContact O-CB 3.43Å; T16-M61 PolarHBondContact O-N 3Å; V18-M61 HydrophobicContact CG2-CG 3.9Å; V18-M61 HydrophobicContact CG2-SD 3.79Å; P41-M61 HydrophobicContact CB-SD 4.31Å; P41-M61 HydrophobicContact CG-SD 4.4Å
62S94.8Very high95.8Very high38 Ų3859.6 Ų59.627%0.26632%0.317SS..PPolyproline II helixtrans-58129.5176-171.10000110.3
63P96Very high95.7Very high22 Ų2263.7 Ų63.714%0.14334%0.335CS..PPolyproline II helixtrans-56.4147.8172.3-23.932.9000111.8L15 W65 L66 L99L15-P63 HydrophobicContact CD1-CG 3.67Å; P63-W65 VanDerWaalsContact C-N 3.26Å; P63-W65 HydrophobicContact CB-CD2 4.34Å; P63-W65 HydrophobicContact CB-CG 4.28Å; P63-W65 HydrophobicContact CB-CZ2 4.39Å; P63-W65 HydrophobicContact CG-CZ2 4.39Å; P63-W65 PolarHBondContact O-N 3.14Å; P63-L66 HydrophobicContact CB-CB 4.26Å; P63-L66 HydrophobicContact CG-CB 4.46Å; P63-L66 PolarHBondContact O-N 2.89Å; P63-L99 HydrophobicContact CG-CD1 3.99Å
64A94.2Very high95.7Very high90 Ų9063.5 Ų63.574%0.74434%0.339SS*.G310 helixtrans-62.1-32.5-177.700000113.3L66 A67A64-L66 VanDerWaalsContact C-N 3.32Å; A64-A67 WeakPolarHBondContact O-CB 3.41Å
65W95Very high95.6Very high46 Ų4662.3 Ų62.317%0.17431%0.314CS..G310 helixtrans-74-22.1176.463.8-103.4000112.8P63 A67 P88 H89 I95P63-W65 VanDerWaalsContact C-N 3.26Å; P63-W65 HydrophobicContact CB-CD2 4.34Å; P63-W65 HydrophobicContact CB-CG 4.28Å; P63-W65 HydrophobicContact CB-CZ2 4.39Å; P63-W65 HydrophobicContact CG-CZ2 4.39Å; P63-W65 PolarHBondContact O-N 3.14Å; W65-A67 PolarHBondContact O-N 2.81Å; W65-P88 HydrophobicContact CB-CB 4.29Å; W65-P88 HydrophobicContact CE3-CB 4.19Å; W65-P88 HydrophobicContact CE3-CG 4.48Å; W65-H89 HydrophobicContact CD2-CB 3.94Å; W65-H89 HydrophobicContact CE3-CB 4.36Å; W65-H89 HydrophobicContact CG-CB 4.28Å; W65-H89 HydrophobicContact CZ2-CB 4.12Å; W65-H89 AromaticContact NE1-CD2 3.89Å; W65-H89 AromaticContact NE1-CG 3.94Å; W65-I95 HydrophobicContact CH2-CB 4.19Å; W65-I95 HydrophobicContact CH2-CG2 4.23Å; W65-I95 HydrophobicContact CZ2-CB 4.01Å; W65-I95 HydrophobicContact CZ2-CD1 4.29Å; W65-I95 HydrophobicContact CZ2-CG2 3.79Å
66L95.5Very high95.6Very high0 Ų064 Ų640%032%0.322CS..G310 helixtrans-87.829.8177.5-161.775.7000111.3P63 A64 L71 L99 I107 I113P63-L66 HydrophobicContact CB-CB 4.26Å; P63-L66 HydrophobicContact CG-CB 4.46Å; P63-L66 PolarHBondContact O-N 2.89Å; A64-L66 VanDerWaalsContact C-N 3.32Å; L66-L71 HydrophobicContact CD1-CD1 4.24Å; L66-L99 HydrophobicContact CD2-CD1 4.09Å; L66-I107 HydrophobicContact CD2-CD1 3.94Å; L66-I113 HydrophobicContact CD1-CG2 3.82Å; L66-I113 HydrophobicContact CG-CG2 4.06Å
67A94.9Very high95.6Very high35 Ų3558.9 Ų58.929%0.28931%0.306SS..SBendtrans-89.3140.417200000109.7A64 W65 E69 K70 L71A64-A67 WeakPolarHBondContact O-CB 3.41Å; W65-A67 PolarHBondContact O-N 2.81Å; A67-E69 VanDerWaalsContact C-N 3.26Å; A67-E69 PolarHBondContact O-N 3.27Å; A67-K70 HydrophobicContact CB-CB 4.39Å; A67-K70 HydrophobicContact CB-CG 4.37Å; A67-K70 PolarHBondContact O-N 3.19Å; A67-K70 VanDerWaalsContact O-N 3.13Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 3.46Å
68L95.1Very high95.5Very high53 Ų5354.7 Ų54.728%0.27729%0.288SS..Hα-helixtrans-56-41.2-178.3-173.4151000112.4L71 N72 N109 I116L68-L71 PolarHBondContact O-N 2.96Å; L68-N72 WeakPolarHBondContact CD2-ND2 3.48Å; L68-N72 PolarHBondContact O-N 2.82Å; L68-N72 PolarHBondContact O-ND2 2.92Å; L68-N109 HydrophobicContact CD1-CB 4.12Å; L68-I116 HydrophobicContact CG-CD1 4Å
69E95.3Very high95.4Very high145 Ų14560 Ų6068%0.67831%0.313SS*.Hα-helixtrans-60.7-49.7177-65.9175-178.500111.7A67 L71 N72 E73A67-E69 VanDerWaalsContact C-N 3.26Å; A67-E69 PolarHBondContact O-N 3.27Å; E69-L71 PolarHBondContact O-N 3.14Å; E69-N72 PolarHBondContact O-N 3.27Å; E69-E73 WeakPolarHBondContact O-CG 3.42Å; E69-E73 PolarHBondContact O-N 3.26Å
70K94.8Very high95.2Very high94 Ų9460 Ų6041%0.40932%0.323SS..Hα-helixtrans-65.1-39.1-179.5-70.8-72.6155.7-142.20112.5A67 E73 C74A67-K70 HydrophobicContact CB-CB 4.39Å; A67-K70 HydrophobicContact CB-CG 4.37Å; A67-K70 PolarHBondContact O-N 3.19Å; A67-K70 VanDerWaalsContact O-N 3.13Å; K70-E73 VanDerWaalsContact NZ-CD 3.28Å; K70-E73 IonicContact NZ-OE1 2.92Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 3.74Å; K70-E73 PolarHBondContact NZ-OE2 3.45Å; K70-E73 PolarHBondContact O-N 3.23Å; K70-C74 PolarHBondContact O-N 3.45Å; K70-C74 PolarHBondContact O-SG 2.87Å; K70-C74 VanDerWaalsContact O-SG 3.33Å
71L96.1Very high94.9Very high2 Ų263.7 Ų63.71%0.0134%0.343CS..Hα-helixtrans-67.9-36.2177.4-68.7173.5000112.1L66 A67 L68 E69 C74 K75 P88 I113 I116 V117L66-L71 HydrophobicContact CD1-CD1 4.24Å; A67-L71 WeakPolarHBondContact O-CG 3.25Å; A67-L71 PolarHBondContact O-N 3.46Å; L68-L71 PolarHBondContact O-N 2.96Å; E69-L71 PolarHBondContact O-N 3.14Å; L71-C74 PolarHBondContact O-N 2.94Å; L71-K75 WeakPolarHBondContact O-CB 3.48Å; L71-K75 PolarHBondContact O-N 3.35Å; L71-P88 HydrophobicContact CD2-CB 4.43Å; L71-P88 HydrophobicContact CD2-CG 4.18Å; L71-I113 HydrophobicContact CD1-CB 4.44Å; L71-I113 HydrophobicContact CD1-CG1 4.32Å; L71-I113 HydrophobicContact CD1-CG2 3.75Å; L71-I116 HydrophobicContact CB-CB 4.45Å; L71-I116 HydrophobicContact CB-CG2 3.67Å; L71-V117 HydrophobicContact CD1-CG2 4.12Å; L71-V117 HydrophobicContact CD2-CG2 4.49Å
72N96Very high94.3Very high53 Ų5365.4 Ų65.428%0.28336%0.363SS..Hα-helixtrans-66.2-43.7172.7-80.1-37.5000111.8L68 E69 C74 K75 E76 I116L68-N72 WeakPolarHBondContact CD2-ND2 3.48Å; L68-N72 PolarHBondContact O-N 2.82Å; L68-N72 PolarHBondContact O-ND2 2.92Å; E69-N72 PolarHBondContact O-N 3.27Å; N72-C74 VanDerWaalsContact C-N 3.3Å; N72-C74 PolarHBondContact O-N 3.36Å; N72-K75 WeakPolarHBondContact O-CB 3.47Å; N72-K75 PolarHBondContact O-N 3.44Å; N72-K75 VanDerWaalsContact O-N 3.15Å; N72-E76 WeakPolarHBondContact O-CG 3.16Å; N72-E76 PolarHBondContact O-N 3.22Å; N72-I116 VanDerWaalsContact OD1-CD1 3.25Å; N72-I116 WeakPolarHBondContact OD1-CD1 3.16Å
73E95.4Very high93.8Very high101 Ų10165 Ų6547%0.47237%0.365SS..Hα-helixtrans-56.6-45.1173.3-70.1171.2-160.100111.3E69 K70 E76 A77E69-E73 WeakPolarHBondContact O-CG 3.42Å; E69-E73 PolarHBondContact O-N 3.26Å; K70-E73 VanDerWaalsContact NZ-CD 3.28Å; K70-E73 IonicContact NZ-OE1 2.92Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 3.74Å; K70-E73 PolarHBondContact NZ-OE2 3.45Å; K70-E73 PolarHBondContact O-N 3.23Å; E73-E76 PolarHBondContact O-N 3.01Å; E73-A77 WeakPolarHBondContact O-CB 3.32Å; E73-A77 PolarHBondContact O-N 3.41Å
74C94.6Very high93.3Very high29 Ų2964.9 Ų64.920%0.19637%0.365CS..Hα-helixtrans-62.5-42.3175.9-71.80000112.1K70 L71 N72 A77 E78K70-C74 PolarHBondContact O-N 3.45Å; K70-C74 PolarHBondContact O-SG 2.87Å; K70-C74 VanDerWaalsContact O-SG 3.33Å; L71-C74 PolarHBondContact O-N 2.94Å; N72-C74 VanDerWaalsContact C-N 3.3Å; N72-C74 PolarHBondContact O-N 3.36Å; C74-A77 PolarHBondContact O-N 2.97Å; C74-E78 VanDerWaalsContact O-CB 3.32Å; C74-E78 WeakPolarHBondContact O-CB 3.2Å; C74-E78 PolarHBondContact O-N 3.43Å
75K95.6Very high93.2Very high44 Ų4461.9 Ų61.919%0.19134%0.337CS..Hα-helixtrans-61.4-49.2176.7-179-177.9168.5177.70111.2L71 N72 A77 E78 E79 I116 D119 V120 I123L71-K75 WeakPolarHBondContact O-CB 3.48Å; L71-K75 PolarHBondContact O-N 3.35Å; N72-K75 WeakPolarHBondContact O-CB 3.47Å; N72-K75 PolarHBondContact O-N 3.44Å; N72-K75 VanDerWaalsContact O-N 3.15Å; K75-A77 VanDerWaalsContact C-N 3.34Å; K75-A77 PolarHBondContact O-N 2.97Å; K75-E78 CarbonylContact O-C 3.57Å; K75-E78 PolarHBondContact O-N 3.31Å; K75-E78 VanDerWaalsContact O-N 3.15Å; K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 2.73Å; K75-E79 WeakPolarHBondContact O-CG 3.49Å; K75-E79 PolarHBondContact O-N 3.3Å; K75-I116 HydrophobicContact CB-CG2 4.34Å; K75-I116 HydrophobicContact CD-CG2 4.41Å; K75-D119 HydrophobicContact CD-CB 4.08Å; K75-D119 IonicContact NZ-OD2 3.68Å; K75-D119 PolarHBondContact NZ-OD2 3.49Å; K75-V120 HydrophobicContact CB-CG2 3.74Å; K75-V120 HydrophobicContact CG-CG2 4.25Å; K75-I123 HydrophobicContact CG-CD1 4.19Å
76E96Very high93Very high118 Ų11863.6 Ų63.655%0.55136%0.356SS*.Hα-helixtrans-61.9-41.7178.8-72.1179.1-176.400111.8N72 E73 E78 E79 N80N72-E76 WeakPolarHBondContact O-CG 3.16Å; N72-E76 PolarHBondContact O-N 3.22Å; E73-E76 PolarHBondContact O-N 3.01Å; E76-E78 VanDerWaalsContact C-N 3.29Å; E76-E78 PolarHBondContact O-N 3.47Å; E76-E79 PolarHBondContact O-N 3.37Å; E76-N80 WeakPolarHBondContact O-CB 3.25Å; E76-N80 PolarHBondContact O-N 3.05Å; E76-N80 VanDerWaalsContact O-N 3.11Å; E76-N80 PolarHBondContact O-ND2 3.23Å
77A95Very high92.8Very high46 Ų4664.6 Ų64.638%0.3836%0.363SS..Hα-helixtrans-60.9-41.4174.800000111.5E73 C74 K75 N80 D81 T85E73-A77 WeakPolarHBondContact O-CB 3.32Å; E73-A77 PolarHBondContact O-N 3.41Å; C74-A77 PolarHBondContact O-N 2.97Å; K75-A77 VanDerWaalsContact C-N 3.34Å; K75-A77 PolarHBondContact O-N 2.97Å; A77-N80 PolarHBondContact O-N 3.14Å; A77-D81 PolarHBondContact O-N 3.02Å; A77-D81 VanDerWaalsContact O-N 3.08Å; A77-T85 HydrophobicContact CB-CG2 4.39Å
78E94.4Very high92.7Very high2 Ų264.4 Ų64.41%0.00936%0.358CS..Hα-helixtrans-70.2-32178.3-160.766.8-130.800112.2C74 K75 E76 C84 T85 I123 R124 K127C74-E78 VanDerWaalsContact O-CB 3.32Å; C74-E78 WeakPolarHBondContact O-CB 3.2Å; C74-E78 PolarHBondContact O-N 3.43Å; K75-E78 CarbonylContact O-C 3.57Å; K75-E78 PolarHBondContact O-N 3.31Å; K75-E78 VanDerWaalsContact O-N 3.15Å; E76-E78 VanDerWaalsContact C-N 3.29Å; E76-E78 PolarHBondContact O-N 3.47Å; E78-C84 WeakPolarHBondContact OE1-CA 3.14Å; E78-T85 PolarHBondContact OE1-N 3.25Å; E78-T85 WeakPolarHBondContact OE2-CB 3.2Å; E78-T85 PolarHBondContact OE2-N 3.3Å; E78-T85 PolarHBondContact OE2-OG1 3.4Å; E78-I123 HydrophobicContact CB-CG2 4.42Å; E78-I123 HydrophobicContact CG-CB 4.32Å; E78-I123 HydrophobicContact CG-CG2 3.66Å; E78-R124 VanDerWaalsContact CD-CG 3.46Å; E78-R124 HydrophobicContact CG-CG 3.64Å; E78-R124 IonicContact OE1-NH1 3.02Å; E78-R124 IonicContact OE2-CZ 3.49Å; E78-R124 IonicContact OE2-NH1 2.74Å; E78-R124 PolarHBondContact OE2-NH1 3.15Å; E78-K127 WeakPolarHBondContact O-CE 3.27Å; E78-K127 PolarHBondContact O-NZ 3.12Å; E78-K127 VanDerWaalsContact OE1-CD 3.28Å; E78-K127 WeakPolarHBondContact OE1-CD 3.3Å; E78-K127 WeakPolarHBondContact OE1-CE 3.1Å; E78-K127 IonicContact OE1-NZ 3.84Å; E78-K127 PolarHBondContact OE1-NZ 3.28Å
79E94.5Very high92.7Very high113 Ų11363.2 Ų63.253%0.52835%0.351SS..Hα-helixtrans-71.1-34.1174.2-72.4178.1173.100112.6K75 E76 I123K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 2.73Å; K75-E79 WeakPolarHBondContact O-CG 3.49Å; K75-E79 PolarHBondContact O-N 3.3Å; E76-E79 PolarHBondContact O-N 3.37Å; E79-I123 HydrophobicContact CG-CD1 3.64Å
80N93.6Very high92.7Very high141 Ų14160.1 Ų60.175%0.75434%0.344SS*.Hα-helixtrans-84.8-27.3-174.8-70.9-51000114E76 A77E76-N80 WeakPolarHBondContact O-CB 3.25Å; E76-N80 PolarHBondContact O-N 3.05Å; E76-N80 VanDerWaalsContact O-N 3.11Å; E76-N80 PolarHBondContact O-ND2 3.23Å; A77-N80 PolarHBondContact O-N 3.14Å
81D90.5Very high92.7Very high79 Ų7957.7 Ų57.742%0.42233%0.334SS..  trans-87.5143.7179.9-159.8-80.5000112.4A77 G83 T85 K127A77-D81 PolarHBondContact O-N 3.02Å; A77-D81 VanDerWaalsContact O-N 3.08Å; D81-G83 WeakPolarHBondContact OD1-CA 3.42Å; D81-G83 PolarHBondContact OD1-N 3.23Å; D81-T85 HydrophobicContact CB-CG2 3.61Å; D81-K127 WeakPolarHBondContact O-CE 3.35Å; D81-K127 PolarHBondContact O-NZ 3.19Å
82S83.9Confident92.7Very high122 Ų12257.6 Ų57.685%0.85333%0.334SS*.SBendtrans-74.5-28.3176.562.80000114
83G83.9Confident92.7Very high29 Ų2956.2 Ų56.230%0.29933%0.326SS..SBendtrans-104.3176.5176.500000112.2D81 T85 K127D81-G83 WeakPolarHBondContact OD1-CA 3.42Å; D81-G83 PolarHBondContact OD1-N 3.23Å; G83-T85 PolarHBondContact O-N 2.92Å; G83-K127 PolarHBondContact O-NZ 3.02Å
84C85Confident92.7Very high20 Ų2051.7 Ų51.714%0.13531%0.305CS..PPolyproline II helixtrans-72.1126.5175.5-66.50000110.3E78 Q147 L148E78-C84 WeakPolarHBondContact OE1-CA 3.14Å; C84-Q147 HydrophobicContact CB-CB 4.37Å; C84-Q147 WeakPolarHBondContact O-CB 3.47Å; C84-L148 HydrophobicContact CB-CD2 4.18Å; C84-L148 VanDerWaalsContact SG-CD2 3.51Å
85T91.3Very high92.8Very high27 Ų2750.5 Ų50.517%0.16630%0.296CS..PPolyproline II helixtrans-81.3173.8175.272.10000110.8A77 E78 D81 G83 P87 R124 Q147A77-T85 HydrophobicContact CB-CG2 4.39Å; E78-T85 PolarHBondContact OE1-N 3.25Å; E78-T85 WeakPolarHBondContact OE2-CB 3.2Å; E78-T85 PolarHBondContact OE2-N 3.3Å; E78-T85 PolarHBondContact OE2-OG1 3.4Å; D81-T85 HydrophobicContact CB-CG2 3.61Å; G83-T85 PolarHBondContact O-N 2.92Å; T85-P87 WeakPolarHBondContact O-CD 3.47Å; T85-R124 PolarHBondContact O-NH1 2.73Å; T85-Q147 WeakPolarHBondContact O-CB 3.35Å
86S91.8Very high92.9Very high83 Ų8348.5 Ų48.558%0.5829%0.288SS*.PPolyproline II helixtrans-63.7122.3174.5-177.70000109.7
87P92.2Very high92.9Very high21 Ų2146.2 Ų46.214%0.13628%0.282CS..PPolyproline II helixtrans-65.9156.5177.129.6-35.1000110.6T85 H89 Y92 T149T85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-H89 PolarHBondContact O-N 3.33Å; P87-Y92 HydrophobicContact CB-CD1 4.26Å; P87-Y92 HydrophobicContact CB-CE1 4.44Å; P87-T149 HydrophobicContact CB-CG2 3.92Å; P87-T149 HydrophobicContact CG-CG2 3.9Å
88P92.6Very high92.9Very high30 Ų3044.3 Ų44.320%0.19527%0.265CS..SBendtrans-61.9-32.7177.923.7-32.9000112.3W65 L71 Y92W65-P88 HydrophobicContact CB-CB 4.29Å; W65-P88 HydrophobicContact CE3-CB 4.19Å; W65-P88 HydrophobicContact CE3-CG 4.48Å; L71-P88 HydrophobicContact CD2-CB 4.43Å; L71-P88 HydrophobicContact CD2-CG 4.18Å; P88-Y92 HydrophobicContact CG-CD2 4.32Å; P88-Y92 HydrophobicContact CG-CG 4.06Å
89H95.1Very high93Very high28 Ų2844.2 Ų44.213%0.1327%0.265CS..SBendtrans-151.5147.3173.5-168.7-99.7000109.7E13 W65 P87 Q91 Y92 I95E13-H89 IonicContact OE1-NE2 2.88Å; W65-H89 HydrophobicContact CD2-CB 3.94Å; W65-H89 HydrophobicContact CE3-CB 4.36Å; W65-H89 HydrophobicContact CG-CB 4.28Å; W65-H89 HydrophobicContact CZ2-CB 4.12Å; W65-H89 AromaticContact NE1-CD2 3.89Å; W65-H89 AromaticContact NE1-CG 3.94Å; P87-H89 PolarHBondContact O-N 3.33Å; H89-Q91 PolarHBondContact CE1-OE1 3.46Å; H89-Q91 VanDerWaalsContact CE1-OE1 3.27Å; H89-Q91 PolarHBondContact ND1-N 3.31Å; H89-Q91 PolarHBondContact O-N 3.32Å; H89-Y92 WeakPolarHBondContact O-CB 3.49Å; H89-Y92 WeakPolarHBondContact O-CD1 3.44Å; H89-Y92 PolarHBondContact O-N 2.92Å; H89-I95 VanDerWaalsContact CE1-CD1 3.48Å; H89-I95 WeakPolarHBondContact CE1-CD1 3.29Å; H89-I95 WeakPolarHBondContact ND1-CD1 3.26Å
90P93.9Very high93.1Very high80 Ų8039.2 Ų39.252%0.51924%0.242SC..THydrogen-bonded Turntrans-58.1-29.5178.8-27.336.1000114.9T149P90-T149 WeakPolarHBondContact O-CB 3.41Å
91Q95.5Very high93.2Very high43 Ų4338.8 Ų38.820%0.20124%0.235CC..THydrogen-bonded Turntrans-119.738.4178.6-55.6130.5-14.700111.5H89 I93 E94 I95H89-Q91 PolarHBondContact CE1-OE1 3.46Å; H89-Q91 VanDerWaalsContact CE1-OE1 3.27Å; H89-Q91 PolarHBondContact ND1-N 3.31Å; H89-Q91 PolarHBondContact O-N 3.32Å; Q91-I93 PolarHBondContact O-N 2.92Å; Q91-E94 WeakPolarHBondContact CA-OE2 3.49Å; Q91-E94 HydrophobicContact CB-CB 4.49Å; Q91-E94 PolarHBondContact O-N 3.46Å; Q91-I95 HydrophobicContact CB-CD1 4.13Å; Q91-I95 HydrophobicContact CB-CG1 4.32Å; Q91-I95 WeakPolarHBondContact O-CG1 3.33Å; Q91-I95 PolarHBondContact O-N 3.32Å; Q91-I95 VanDerWaalsContact O-N 3.14Å
92Y96Very high93.4Very high1 Ų139.5 Ų39.50%0.00424%0.236CC..Hα-helixtrans-61.4-32.4-17377.5-82.1000112.6P87 P88 H89 S96 V117 V120 T149P87-Y92 HydrophobicContact CB-CD1 4.26Å; P87-Y92 HydrophobicContact CB-CE1 4.44Å; P88-Y92 HydrophobicContact CG-CD2 4.32Å; P88-Y92 HydrophobicContact CG-CG 4.06Å; H89-Y92 WeakPolarHBondContact O-CB 3.49Å; H89-Y92 WeakPolarHBondContact O-CD1 3.44Å; H89-Y92 PolarHBondContact O-N 2.92Å; Y92-S96 WeakPolarHBondContact O-CB 3.26Å; Y92-S96 PolarHBondContact O-N 3.16Å; Y92-S96 PolarHBondContact O-OG 2.95Å; Y92-V117 HydrophobicContact CD2-CG1 4.2Å; Y92-V117 HydrophobicContact CE2-CG1 4.09Å; Y92-V120 HydrophobicContact CE2-CG1 4.28Å; Y92-T149 HydrophobicContact CD1-CG2 4Å; Y92-T149 HydrophobicContact CE1-CG2 3.82Å
93I96.2Very high94Very high23 Ų2333.8 Ų33.812%0.11820%0.196CC..Hα-helixtrans-69-50.2-179.3-66.8-68.2000110.9Q91 S96 T97 V117 W121 M151Q91-I93 PolarHBondContact O-N 2.92Å; I93-S96 PolarHBondContact O-OG 3.47Å; I93-T97 WeakPolarHBondContact O-CB 3.48Å; I93-T97 PolarHBondContact O-N 3.25Å; I93-T97 PolarHBondContact O-OG1 2.69Å; I93-V117 HydrophobicContact CD1-CG1 3.84Å; I93-W121 HydrophobicContact CD1-CB 3.9Å; I93-W121 HydrophobicContact CD1-CD2 4.05Å; I93-W121 HydrophobicContact CD1-CE3 3.61Å; I93-W121 HydrophobicContact CD1-CG 4.2Å; I93-W121 HydrophobicContact CD1-CZ3 4.44Å; I93-W121 HydrophobicContact CG1-CD2 4.41Å; I93-W121 HydrophobicContact CG1-CE3 3.54Å; I93-W121 HydrophobicContact CG1-CZ3 3.91Å; I93-M151 HydrophobicContact CB-CG 4.24Å; I93-M151 HydrophobicContact CG2-CG 4.01Å
94E96.1Very high94.5Very high7 Ų733.7 Ų33.73%0.03319%0.192CC..Hα-helixtrans-61.7-52.6-176.9-58.789.9150.200109.7L6 S10 Q91 T97 L98 M151L6-E94 HydrophobicContact CB-CG 4.37Å; S10-E94 VanDerWaalsContact OG-CB 3.26Å; S10-E94 WeakPolarHBondContact OG-CB 3.47Å; Q91-E94 WeakPolarHBondContact CA-OE2 3.49Å; Q91-E94 HydrophobicContact CB-CB 4.49Å; Q91-E94 PolarHBondContact O-N 3.46Å; E94-T97 PolarHBondContact O-N 3.39Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.41Å; E94-M151 HydrophobicContact CG-CE 3.46Å; E94-M151 VanDerWaalsContact CG-CE 3.46Å
95I96.7Very high94.9Very high4 Ų440.4 Ų40.42%0.02122%0.222CC..Hα-helixtrans-65.8-46.2-177.7-59.4169.4000110.8E13 L46 W65 H89 Q91 T97 L98 L99E13-I95 HydrophobicContact CB-CD1 4.14Å; E13-I95 HydrophobicContact CG-CD1 3.84Å; L46-I95 HydrophobicContact CD2-CG1 4.14Å; L46-I95 HydrophobicContact CD2-CG2 4.33Å; W65-I95 HydrophobicContact CH2-CB 4.19Å; W65-I95 HydrophobicContact CH2-CG2 4.23Å; W65-I95 HydrophobicContact CZ2-CB 4.01Å; W65-I95 HydrophobicContact CZ2-CD1 4.29Å; W65-I95 HydrophobicContact CZ2-CG2 3.79Å; H89-I95 VanDerWaalsContact CE1-CD1 3.48Å; H89-I95 WeakPolarHBondContact CE1-CD1 3.29Å; H89-I95 WeakPolarHBondContact ND1-CD1 3.26Å; Q91-I95 HydrophobicContact CB-CD1 4.13Å; Q91-I95 HydrophobicContact CB-CG1 4.32Å; Q91-I95 WeakPolarHBondContact O-CG1 3.33Å; Q91-I95 PolarHBondContact O-N 3.32Å; Q91-I95 VanDerWaalsContact O-N 3.14Å; I95-T97 PolarHBondContact O-N 3.27Å; I95-L98 PolarHBondContact O-N 3.01Å; I95-L99 HydrophobicContact CG2-CD1 3.69Å; I95-L99 HydrophobicContact CG2-CG 4.1Å; I95-L99 VanDerWaalsContact O-CB 3.3Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.45Å; I95-L99 PolarHBondContact O-N 2.62Å
96S96.5Very high95.1Very high1 Ų140 Ų401%0.00722%0.218CC..Hα-helixtrans-64.4-40.2-179.662.80000111.9Y92 I93 L99 L100 V117Y92-S96 WeakPolarHBondContact O-CB 3.26Å; Y92-S96 PolarHBondContact O-N 3.16Å; Y92-S96 PolarHBondContact O-OG 2.95Å; I93-S96 PolarHBondContact O-OG 3.47Å; S96-L99 PolarHBondContact O-N 2.74Å; S96-L100 WeakPolarHBondContact O-CB 3.45Å; S96-L100 WeakPolarHBondContact O-CD1 3.21Å; S96-L100 WeakPolarHBondContact O-CG 3.07Å; S96-L100 PolarHBondContact O-N 2.79Å; S96-V117 WeakPolarHBondContact OG-CG1 3.3Å
97T95.8Very high95.2Very high71 Ų7136.4 Ų36.444%0.43619%0.193SC..Hα-helixtrans-62.7-49.9177.7-580000110.7I93 E94 I95 L99 L100 Q101I93-T97 WeakPolarHBondContact O-CB 3.48Å; I93-T97 PolarHBondContact O-N 3.25Å; I93-T97 PolarHBondContact O-OG1 2.69Å; E94-T97 PolarHBondContact O-N 3.39Å; I95-T97 PolarHBondContact O-N 3.27Å; T97-L99 PolarHBondContact O-N 2.68Å; T97-L100 PolarHBondContact O-N 3.3Å; T97-Q101 VanDerWaalsContact O-CB 3.25Å; T97-Q101 WeakPolarHBondContact O-CB 3.5Å; T97-Q101 PolarHBondContact O-N 3.02Å
98L96.1Very high95.3Very high5 Ų539.2 Ų39.23%0.02621%0.211CC..Hα-helixtrans-59.1-46.1178.5-80.3175.1000112.4E7 E11 L46 L50 E94 I95 Q101 H102E7-L98 HydrophobicContact CG-CD1 3.85Å; E7-L98 HydrophobicContact CG-CD2 4.21Å; E7-L98 HydrophobicContact CG-CG 4.13Å; E7-L98 WeakPolarHBondContact OE1-CD2 3.15Å; E11-L98 HydrophobicContact CG-CD1 4.16Å; L46-L98 HydrophobicContact CD2-CD1 3.75Å; L50-L98 HydrophobicContact CD1-CB 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.22Å; L50-L98 HydrophobicContact CD1-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CG 4.41Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 3.01Å; L98-Q101 PolarHBondContact O-N 2.91Å; L98-H102 PolarHBondContact O-N 3.48Å; L98-H102 VanDerWaalsContact O-N 3.14Å; L98-H102 PolarHBondContact O-ND1 2.73Å
99L96.6Very high95.3Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-68.2-44.1-179.6-71.1-177.8000112.3L15 L46 L50 I60 P63 L66 I95 S96 T97 Q101 A103 A104 I107L15-L99 HydrophobicContact CD1-CD1 4.26Å; L15-L99 HydrophobicContact CD2-CD2 3.78Å; L46-L99 HydrophobicContact CD1-CD2 3.8Å; L46-L99 HydrophobicContact CD1-CG 4.37Å; L50-L99 HydrophobicContact CD2-CD2 4.39Å; I60-L99 HydrophobicContact CD1-CD2 4.28Å; I60-L99 HydrophobicContact CG2-CD2 4.08Å; P63-L99 HydrophobicContact CG-CD1 3.99Å; L66-L99 HydrophobicContact CD2-CD1 4.09Å; I95-L99 HydrophobicContact CG2-CD1 3.69Å; I95-L99 HydrophobicContact CG2-CG 4.1Å; I95-L99 VanDerWaalsContact O-CB 3.3Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.45Å; I95-L99 PolarHBondContact O-N 2.62Å; S96-L99 PolarHBondContact O-N 2.74Å; T97-L99 PolarHBondContact O-N 2.68Å; L99-Q101 PolarHBondContact O-N 2.69Å; L99-A103 CarbonylContact O-C 3.59Å; L99-A103 VanDerWaalsContact O-C 3.24Å; L99-A103 VanDerWaalsContact O-CA 3.25Å; L99-A103 WeakPolarHBondContact O-CA 3.34Å; L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 2.88Å; L99-A104 PolarHBondContact O-N 3.12Å; L99-I107 HydrophobicContact CB-CD1 3.89Å
100L96Very high95.4Very high9 Ų942.8 Ų42.85%0.04723%0.231CC..Hα-helixtrans-70.7-19.3178.3-69169.4000112.9S96 T97 A104 I107 P110 I113 R114S96-L100 WeakPolarHBondContact O-CB 3.45Å; S96-L100 WeakPolarHBondContact O-CD1 3.21Å; S96-L100 WeakPolarHBondContact O-CG 3.07Å; S96-L100 PolarHBondContact O-N 2.79Å; T97-L100 PolarHBondContact O-N 3.3Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-I107 HydrophobicContact CD2-CD1 4.1Å; L100-P110 HydrophobicContact CD2-CB 3.71Å; L100-I113 HydrophobicContact CD1-CG2 4.09Å; L100-I113 HydrophobicContact CD2-CB 4.49Å; L100-I113 HydrophobicContact CD2-CG2 4.3Å; L100-R114 HydrophobicContact CD1-CB 4Å; L100-R114 HydrophobicContact CD1-CG 4.4Å; L100-R114 PolarHBondContact O-NH2 3.33Å
101Q95.8Very high95.5Very high131 Ų13143.8 Ų43.861%0.61223%0.229SC*.Hα-helixtrans-82.4-43.8175.2-179.5174-24.800112.2T97 L98 L99T97-Q101 VanDerWaalsContact O-CB 3.25Å; T97-Q101 WeakPolarHBondContact O-CB 3.5Å; T97-Q101 PolarHBondContact O-N 3.02Å; L98-Q101 PolarHBondContact O-N 2.91Å; L99-Q101 PolarHBondContact O-N 2.69Å
102H95.4Very high95.5Very high95 Ų9544.3 Ų44.344%0.4424%0.237SC..Hα-helixtrans-105.6-18.8-170.6-6093.9000114.4L50 L98L50-H102 HydrophobicContact CD2-CB 3.86Å; L98-H102 PolarHBondContact O-N 3.48Å; L98-H102 VanDerWaalsContact O-N 3.14Å; L98-H102 PolarHBondContact O-ND1 2.73Å
103A95Very high95.6Very high1 Ų144.3 Ų44.31%0.00824%0.237CC..  trans-137.326.8-170.700000113R53 I60 L99 E105 D106R53-A103 HydrophobicContact CG-CB 4.3Å; I60-A103 HydrophobicContact CB-CB 4.34Å; I60-A103 HydrophobicContact CD1-CB 3.58Å; I60-A103 HydrophobicContact CG1-CB 4.49Å; L99-A103 CarbonylContact O-C 3.59Å; L99-A103 VanDerWaalsContact O-C 3.24Å; L99-A103 VanDerWaalsContact O-CA 3.25Å; L99-A103 WeakPolarHBondContact O-CA 3.34Å; L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 2.88Å; A103-E105 PolarHBondContact O-N 3.43Å; A103-E105 VanDerWaalsContact O-N 3.14Å; A103-D106 PolarHBondContact O-N 2.88Å
104A95.2Very high95.6Very high27 Ų2748 Ų4822%0.22325%0.25CC..G310 helixtrans-52.8-36.9-179.900000113.5L99 L100 D106 I107 P110L99-A104 PolarHBondContact O-N 3.12Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; A104-D106 PolarHBondContact O-N 3.32Å; A104-I107 PolarHBondContact O-N 3.45Å; A104-P110 HydrophobicContact CB-CB 4.07Å; A104-P110 HydrophobicContact CB-CG 4.36Å
105E94Very high95.6Very high162 Ų16252 Ų5276%0.75727%0.272SS*.G310 helixtrans-65.3-24.8179.5-61.1179.2167.600113.7R53 A103 I107R53-E105 IonicContact NH2-OE2 3.58Å; R53-E105 PolarHBondContact NH2-OE2 2.82Å; A103-E105 PolarHBondContact O-N 3.43Å; A103-E105 VanDerWaalsContact O-N 3.14Å; E105-I107 VanDerWaalsContact C-N 3.32Å
106D94Very high95.7Very high17 Ų1752.6 Ų52.69%0.09127%0.274CS..G310 helixtrans-85.6-11.9-178.8-67.2-17.7000111.8R53 R59 I60 A103 A104R53-D106 IonicContact CZ-OD1 3.51Å; R53-D106 IonicContact CZ-OD2 3.57Å; R53-D106 IonicContact NE-OD2 3.66Å; R53-D106 IonicContact NH1-OD1 2.88Å; R53-D106 PolarHBondContact NH1-OD1 2.88Å; R53-D106 IonicContact NH1-OD2 3.96Å; R53-D106 PolarHBondContact NH1-OD2 2.75Å; R53-D106 IonicContact NH2-OD1 3.32Å; R59-D106 HydrophobicContact CG-CB 4.3Å; I60-D106 HydrophobicContact CB-CB 4.39Å; I60-D106 PolarHBondContact N-OD2 3.43Å; I60-D106 WeakPolarHBondContact O-CB 3.42Å; A103-D106 PolarHBondContact O-N 2.88Å; A104-D106 PolarHBondContact O-N 3.32Å
107I94.7Very high95.7Very high8 Ų853 Ų534%0.04128%0.277CS..SBendtrans-104.2133-174.9-63.1171.7000110.1L66 L99 L100 A104 E105 N109 I113L66-I107 HydrophobicContact CD2-CD1 3.94Å; L99-I107 HydrophobicContact CB-CD1 3.89Å; L100-I107 HydrophobicContact CD2-CD1 4.1Å; A104-I107 PolarHBondContact O-N 3.45Å; E105-I107 VanDerWaalsContact C-N 3.32Å; I107-N109 PolarHBondContact O-N 3.5Å; I107-I113 HydrophobicContact CG2-CD1 3.4Å; I107-I113 VanDerWaalsContact CG2-CD1 3.4Å
108P93.4Very high95.7Very high81 Ų8157.4 Ų57.453%0.52629%0.285SS..SBendtrans-70.1130.2174.828.9-33.3000111.2I113P108-I113 WeakPolarHBondContact O-CD1 3.33Å
109N94.4Very high95.7Very high100 Ų10059.9 Ų59.954%0.53530%0.299SS..SBendtrans54.157.9177.3-53.9-36.4000114.1L68 I107 E111 S112 I113L68-N109 HydrophobicContact CD1-CB 4.12Å; I107-N109 PolarHBondContact O-N 3.5Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.39Å; N109-S112 PolarHBondContact O-N 3.25Å; N109-I113 PolarHBondContact O-N 3.24Å; N109-I113 VanDerWaalsContact O-N 3.12Å
110P95.8Very high95.7Very high32 Ų3260 Ų6021%0.20830%0.3CS..Hα-helixtrans-61.6-36.1-171.225.6-34.5000113.2L100 A104 I113 R114L100-P110 HydrophobicContact CD2-CB 3.71Å; A104-P110 HydrophobicContact CB-CB 4.07Å; A104-P110 HydrophobicContact CB-CG 4.36Å; P110-I113 PolarHBondContact O-N 2.95Å; P110-R114 WeakPolarHBondContact O-CB 3.36Å; P110-R114 PolarHBondContact O-N 2.97Å
111E96.1Very high95.6Very high102 Ų10261.9 Ų61.948%0.47731%0.306SS..Hα-helixtrans-67.8-40.4178.7-62.8-55.1136.900112.4N109 I113 R114 N115N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.39Å; E111-I113 VanDerWaalsContact C-N 3.34Å; E111-R114 PolarHBondContact O-N 3.03Å; E111-R114 IonicContact OE1-CZ 2.89Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 3.03Å; E111-R114 IonicContact OE1-NH2 3.43Å; E111-R114 IonicContact OE2-CZ 3.35Å; E111-R114 IonicContact OE2-NH1 3.68Å; E111-R114 PolarHBondContact OE2-NH1 3.24Å; E111-N115 VanDerWaalsContact O-CG 3.3Å; E111-N115 PolarHBondContact O-N 2.71Å; E111-N115 PolarHBondContact O-ND2 3.13Å
112S96.5Very high95.6Very high53 Ų5359.5 Ų59.537%0.37130%0.298SS..Hα-helixtrans-64.2-41.9175.6-56.40000111.2N109 N115 I116N109-S112 PolarHBondContact O-N 3.25Å; S112-N115 PolarHBondContact O-N 3.24Å; S112-I116 WeakPolarHBondContact O-CG1 3.22Å; S112-I116 PolarHBondContact O-N 2.94Å
113I96.8Very high95.6Very high1 Ų157 Ų571%0.00529%0.287CS..Hα-helixtrans-62.7-44.8175.5-68.9171.6000110.5L66 L71 L100 I107 P108 N109 P110 E111 N115 I116 V117L66-I113 HydrophobicContact CD1-CG2 3.82Å; L66-I113 HydrophobicContact CG-CG2 4.06Å; L71-I113 HydrophobicContact CD1-CB 4.44Å; L71-I113 HydrophobicContact CD1-CG1 4.32Å; L71-I113 HydrophobicContact CD1-CG2 3.75Å; L100-I113 HydrophobicContact CD1-CG2 4.09Å; L100-I113 HydrophobicContact CD2-CB 4.49Å; L100-I113 HydrophobicContact CD2-CG2 4.3Å; I107-I113 HydrophobicContact CG2-CD1 3.4Å; I107-I113 VanDerWaalsContact CG2-CD1 3.4Å; P108-I113 WeakPolarHBondContact O-CD1 3.33Å; N109-I113 PolarHBondContact O-N 3.24Å; N109-I113 VanDerWaalsContact O-N 3.12Å; P110-I113 PolarHBondContact O-N 2.95Å; E111-I113 VanDerWaalsContact C-N 3.34Å; I113-N115 VanDerWaalsContact C-N 3.28Å; I113-N115 PolarHBondContact O-N 3.44Å; I113-I116 PolarHBondContact O-N 3.32Å; I113-V117 HydrophobicContact CG2-CG2 4.17Å; I113-V117 WeakPolarHBondContact O-CB 3.41Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.44Å; I113-V117 PolarHBondContact O-N 2.85Å
114R96.8Very high95.6Very high101 Ų10156.9 Ų56.938%0.38129%0.286SS..Hα-helixtrans-56.5-43.3177.5-168.4-179.1-70.1141.50.8111.8L100 P110 E111 R118L100-R114 HydrophobicContact CD1-CB 4Å; L100-R114 HydrophobicContact CD1-CG 4.4Å; L100-R114 PolarHBondContact O-NH2 3.33Å; P110-R114 WeakPolarHBondContact O-CB 3.36Å; P110-R114 PolarHBondContact O-N 2.97Å; E111-R114 PolarHBondContact O-N 3.03Å; E111-R114 IonicContact OE1-CZ 2.89Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 3.03Å; E111-R114 IonicContact OE1-NH2 3.43Å; E111-R114 IonicContact OE2-CZ 3.35Å; E111-R114 IonicContact OE2-NH1 3.68Å; E111-R114 PolarHBondContact OE2-NH1 3.24Å; R114-R118 WeakPolarHBondContact O-CB 3.44Å; R114-R118 PolarHBondContact O-N 3.13Å; R114-R118 VanDerWaalsContact O-N 3.15Å
115N97.1Very high95.5Very high92 Ų9256.8 Ų56.849%0.49228%0.283SS..Hα-helixtrans-66.6-47.3178.6-66.9-18.1000111.7E111 S112 I113 V117 R118 D119E111-N115 VanDerWaalsContact O-CG 3.3Å; E111-N115 PolarHBondContact O-N 2.71Å; E111-N115 PolarHBondContact O-ND2 3.13Å; S112-N115 PolarHBondContact O-N 3.24Å; I113-N115 VanDerWaalsContact C-N 3.28Å; I113-N115 PolarHBondContact O-N 3.44Å; N115-V117 PolarHBondContact O-N 3.44Å; N115-R118 WeakPolarHBondContact O-CB 3.3Å; N115-R118 PolarHBondContact O-N 3.42Å; N115-D119 VanDerWaalsContact O-CG 3.31Å; N115-D119 PolarHBondContact O-N 3.45Å
116I97Very high95.5Very high15 Ų1550.6 Ų50.68%0.07726%0.262CS..Hα-helixtrans-64.9-42.4-179-62.7161.1000111.3L68 L71 N72 K75 S112 I113 R118 D119 V120L68-I116 HydrophobicContact CG-CD1 4Å; L71-I116 HydrophobicContact CB-CB 4.45Å; L71-I116 HydrophobicContact CB-CG2 3.67Å; N72-I116 VanDerWaalsContact OD1-CD1 3.25Å; N72-I116 WeakPolarHBondContact OD1-CD1 3.16Å; K75-I116 HydrophobicContact CB-CG2 4.34Å; K75-I116 HydrophobicContact CD-CG2 4.41Å; S112-I116 WeakPolarHBondContact O-CG1 3.22Å; S112-I116 PolarHBondContact O-N 2.94Å; I113-I116 PolarHBondContact O-N 3.32Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 2.81Å; I116-D119 PolarHBondContact O-N 3.28Å; I116-V120 HydrophobicContact CG2-CG2 4.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.37Å; I116-V120 PolarHBondContact O-N 3.33Å
117V96.8Very high95.4Very high9 Ų951.4 Ų51.46%0.05527%0.265CS..Hα-helixtrans-58.4-42.2176.2168.10000110.9L71 Y92 I93 S96 I113 N115 W121L71-V117 HydrophobicContact CD1-CG2 4.12Å; L71-V117 HydrophobicContact CD2-CG2 4.49Å; Y92-V117 HydrophobicContact CD2-CG1 4.2Å; Y92-V117 HydrophobicContact CE2-CG1 4.09Å; I93-V117 HydrophobicContact CD1-CG1 3.84Å; S96-V117 WeakPolarHBondContact OG-CG1 3.3Å; I113-V117 HydrophobicContact CG2-CG2 4.17Å; I113-V117 WeakPolarHBondContact O-CB 3.41Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.44Å; I113-V117 PolarHBondContact O-N 2.85Å; N115-V117 PolarHBondContact O-N 3.44Å; V117-W121 WeakPolarHBondContact O-CB 3.48Å; V117-W121 PolarHBondContact O-N 3.23Å
118R96.5Very high95.3Very high164 Ų16451.6 Ų51.662%0.61927%0.266SS*.Hα-helixtrans-65.1-45176-174.4-174.5-176.8122.94.5112R114 N115 I116 V120 W121 D122R114-R118 WeakPolarHBondContact O-CB 3.44Å; R114-R118 PolarHBondContact O-N 3.13Å; R114-R118 VanDerWaalsContact O-N 3.15Å; N115-R118 WeakPolarHBondContact O-CB 3.3Å; N115-R118 PolarHBondContact O-N 3.42Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 2.81Å; R118-V120 VanDerWaalsContact C-N 3.34Å; R118-V120 PolarHBondContact O-N 3.41Å; R118-W121 WeakPolarHBondContact O-CB 3.44Å; R118-W121 PolarHBondContact O-N 3.03Å; R118-D122 IonicContact NE-OD2 3.96Å; R118-D122 PolarHBondContact O-N 2.91Å
119D96.6Very high95.2Very high57 Ų5751.9 Ų51.931%0.30526%0.263SS..Hα-helixtrans-59.2-47.1178-70-10.1000110.8K75 N115 I116 W121 D122 I123K75-D119 HydrophobicContact CD-CB 4.08Å; K75-D119 IonicContact NZ-OD2 3.68Å; K75-D119 PolarHBondContact NZ-OD2 3.49Å; N115-D119 VanDerWaalsContact O-CG 3.31Å; N115-D119 PolarHBondContact O-N 3.45Å; I116-D119 PolarHBondContact O-N 3.28Å; D119-W121 VanDerWaalsContact C-N 3.32Å; D119-W121 PolarHBondContact O-N 3.47Å; D119-D122 PolarHBondContact O-N 2.64Å; D119-I123 WeakPolarHBondContact O-CD1 3.26Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.37Å; D119-I123 PolarHBondContact O-N 3.28Å
120V95.3Very high95Very high4 Ų451.1 Ų51.12%0.02427%0.265CS..Hα-helixtrans-59.3-44.3177.2171.60000110.8K75 Y92 I116 R118 R124K75-V120 HydrophobicContact CB-CG2 3.74Å; K75-V120 HydrophobicContact CG-CG2 4.25Å; Y92-V120 HydrophobicContact CE2-CG1 4.28Å; I116-V120 HydrophobicContact CG2-CG2 4.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.37Å; I116-V120 PolarHBondContact O-N 3.33Å; R118-V120 VanDerWaalsContact C-N 3.34Å; R118-V120 PolarHBondContact O-N 3.41Å; V120-R124 HydrophobicContact CG1-CG 4.45Å; V120-R124 WeakPolarHBondContact O-CB 3.4Å; V120-R124 WeakPolarHBondContact O-CD 3.47Å; V120-R124 WeakPolarHBondContact O-CG 3.45Å; V120-R124 PolarHBondContact O-N 2.69Å
121W95.4Very high94.7Very high48 Ų4853 Ų5318%0.18228%0.279CS..Hα-helixtrans-58.7-50.3175172.6-95.8000112.6I93 V117 R118 D119 I123 R124 V125 M151 E152 T155I93-W121 HydrophobicContact CD1-CB 3.9Å; I93-W121 HydrophobicContact CD1-CD2 4.05Å; I93-W121 HydrophobicContact CD1-CE3 3.61Å; I93-W121 HydrophobicContact CD1-CG 4.2Å; I93-W121 HydrophobicContact CD1-CZ3 4.44Å; I93-W121 HydrophobicContact CG1-CD2 4.41Å; I93-W121 HydrophobicContact CG1-CE3 3.54Å; I93-W121 HydrophobicContact CG1-CZ3 3.91Å; V117-W121 WeakPolarHBondContact O-CB 3.48Å; V117-W121 PolarHBondContact O-N 3.23Å; R118-W121 WeakPolarHBondContact O-CB 3.44Å; R118-W121 PolarHBondContact O-N 3.03Å; D119-W121 VanDerWaalsContact C-N 3.32Å; D119-W121 PolarHBondContact O-N 3.47Å; W121-I123 VanDerWaalsContact C-N 3.33Å; W121-I123 PolarHBondContact O-N 3.46Å; W121-R124 PolarHBondContact O-N 2.88Å; W121-V125 HydrophobicContact CD2-CG2 3.91Å; W121-V125 HydrophobicContact CE3-CG2 4.37Å; W121-V125 HydrophobicContact CG-CG2 4.4Å; W121-V125 HydrophobicContact CH2-CG2 4.19Å; W121-V125 HydrophobicContact CZ2-CG2 3.7Å; W121-V125 WeakPolarHBondContact O-CB 3.43Å; W121-V125 WeakPolarHBondContact O-CG2 3.44Å; W121-V125 PolarHBondContact O-N 3.03Å; W121-M151 HydrophobicContact CH2-CB 4.18Å; W121-M151 HydrophobicContact CH2-CG 3.54Å; W121-M151 HydrophobicContact CZ3-CB 3.89Å; W121-M151 HydrophobicContact CZ3-CG 3.56Å; W121-E152 HydrophobicContact CE3-CG 4.03Å; W121-E152 HydrophobicContact CH2-CG 4.2Å; W121-E152 HydrophobicContact CZ3-CB 4.33Å; W121-E152 HydrophobicContact CZ3-CG 3.57Å; W121-T155 HydrophobicContact CH2-CG2 3.58Å; W121-T155 HydrophobicContact CZ2-CG2 3.56Å
122D95.6Very high94.5Very high81 Ų8149.6 Ų49.643%0.43327%0.265SS..Hα-helixtrans-62.8-40.8-177.2-73.4-20.6000111R118 D119 G126R118-D122 IonicContact NE-OD2 3.96Å; R118-D122 PolarHBondContact O-N 2.91Å; D119-D122 PolarHBondContact O-N 2.64Å; D122-G126 PolarHBondContact O-N 3.35Å
123I94.7Very high94.2Very high41 Ų4152 Ų5221%0.2127%0.273CS..Hα-helixtrans-61-48.6174.6-64.5160.5000110.4K75 E78 E79 D119 W121 G126 K127K75-I123 HydrophobicContact CG-CD1 4.19Å; E78-I123 HydrophobicContact CB-CG2 4.42Å; E78-I123 HydrophobicContact CG-CB 4.32Å; E78-I123 HydrophobicContact CG-CG2 3.66Å; E79-I123 HydrophobicContact CG-CD1 3.64Å; D119-I123 WeakPolarHBondContact O-CD1 3.26Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.37Å; D119-I123 PolarHBondContact O-N 3.28Å; W121-I123 VanDerWaalsContact C-N 3.33Å; W121-I123 PolarHBondContact O-N 3.46Å; I123-G126 PolarHBondContact O-N 3.06Å; I123-K127 HydrophobicContact CG2-CD 4.47Å; I123-K127 WeakPolarHBondContact O-CG 3.21Å; I123-K127 PolarHBondContact O-N 3Å
124R94.8Very high93.8Very high0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-68.3-41.8-175.5-70.2173.963.680.58.9112.4E78 T85 V120 W121 G126 K127 L128 Q147 E152E78-R124 VanDerWaalsContact CD-CG 3.46Å; E78-R124 HydrophobicContact CG-CG 3.64Å; E78-R124 IonicContact OE1-NH1 3.02Å; E78-R124 IonicContact OE2-CZ 3.49Å; E78-R124 IonicContact OE2-NH1 2.74Å; E78-R124 PolarHBondContact OE2-NH1 3.15Å; T85-R124 PolarHBondContact O-NH1 2.73Å; V120-R124 HydrophobicContact CG1-CG 4.45Å; V120-R124 WeakPolarHBondContact O-CB 3.4Å; V120-R124 WeakPolarHBondContact O-CD 3.47Å; V120-R124 WeakPolarHBondContact O-CG 3.45Å; V120-R124 PolarHBondContact O-N 2.69Å; W121-R124 PolarHBondContact O-N 2.88Å; R124-G126 VanDerWaalsContact C-N 3.32Å; R124-G126 PolarHBondContact O-N 3.32Å; R124-K127 PolarHBondContact O-N 3.09Å; R124-L128 WeakPolarHBondContact O-CB 3.18Å; R124-L128 PolarHBondContact O-N 3.43Å; R124-Q147 PolarHBondContact NH2-O 3.41Å; R124-E152 IonicContact CZ-OE1 3.61Å; R124-E152 IonicContact CZ-OE2 3.89Å; R124-E152 IonicContact NE-OE1 2.69Å; R124-E152 PolarHBondContact NE-OE1 3.21Å; R124-E152 IonicContact NE-OE2 2.71Å; R124-E152 IonicContact NH2-OE1 2.73Å; R124-E152 PolarHBondContact NH2-OE1 3.26Å; R124-E152 IonicContact NH2-OE2 2.75Å; R124-E152 PolarHBondContact NH2-OE2 2.93Å
125V92.8Very high93.4Very high25 Ų2551.1 Ų51.115%0.15228%0.284CS..Hα-helixtrans-63.6-39.7172.4173.70000110.7W121 K127 L128 L129W121-V125 HydrophobicContact CD2-CG2 3.91Å; W121-V125 HydrophobicContact CE3-CG2 4.37Å; W121-V125 HydrophobicContact CG-CG2 4.4Å; W121-V125 HydrophobicContact CH2-CG2 4.19Å; W121-V125 HydrophobicContact CZ2-CG2 3.7Å; W121-V125 WeakPolarHBondContact O-CB 3.43Å; W121-V125 WeakPolarHBondContact O-CG2 3.44Å; W121-V125 PolarHBondContact O-N 3.03Å; V125-K127 PolarHBondContact O-N 3.33Å; V125-L128 PolarHBondContact O-N 3.26Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 HydrophobicContact CG1-CG 4.42Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CG 3.3Å; V125-L129 PolarHBondContact O-N 3.47Å
126G93.3Very high93Very high31 Ų3149.5 Ų49.532%0.3228%0.275SS..Hα-helixtrans-59.4-43.2173.800000113.3D122 I123 R124 S130D122-G126 PolarHBondContact O-N 3.35Å; I123-G126 PolarHBondContact O-N 3.06Å; R124-G126 VanDerWaalsContact C-N 3.32Å; R124-G126 PolarHBondContact O-N 3.32Å; G126-S130 WeakPolarHBondContact O-CB 3.41Å; G126-S130 PolarHBondContact O-N 3.43Å; G126-S130 PolarHBondContact O-OG 2.96Å
127K92.7Very high92.6Very high34 Ų3453.2 Ų53.215%0.14830%0.302CS..Hα-helixtrans-64.9-43.6173.7-72.6179.5177.8-173.50112.4E78 D81 G83 I123 R124 V125 L129 S130 S131E78-K127 WeakPolarHBondContact O-CE 3.27Å; E78-K127 PolarHBondContact O-NZ 3.12Å; E78-K127 VanDerWaalsContact OE1-CD 3.28Å; E78-K127 WeakPolarHBondContact OE1-CD 3.3Å; E78-K127 WeakPolarHBondContact OE1-CE 3.1Å; E78-K127 IonicContact OE1-NZ 3.84Å; E78-K127 PolarHBondContact OE1-NZ 3.28Å; D81-K127 WeakPolarHBondContact O-CE 3.35Å; D81-K127 PolarHBondContact O-NZ 3.19Å; G83-K127 PolarHBondContact O-NZ 3.02Å; I123-K127 HydrophobicContact CG2-CD 4.47Å; I123-K127 WeakPolarHBondContact O-CG 3.21Å; I123-K127 PolarHBondContact O-N 3Å; R124-K127 PolarHBondContact O-N 3.09Å; V125-K127 PolarHBondContact O-N 3.33Å; K127-L129 PolarHBondContact O-N 3.04Å; K127-S130 PolarHBondContact O-N 3.44Å; K127-S131 WeakPolarHBondContact O-CB 3.28Å; K127-S131 PolarHBondContact O-N 3.39Å
128L91.9Very high92.2Very high13 Ų1356.7 Ų56.77%0.06833%0.327CS..Hα-helixtrans-59.4-47.5177.3-173162.6000110.6R124 V125 S130 S131 V132 L148 E152 L156R124-L128 WeakPolarHBondContact O-CB 3.18Å; R124-L128 PolarHBondContact O-N 3.43Å; V125-L128 PolarHBondContact O-N 3.26Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 2.87Å; L128-S131 WeakPolarHBondContact O-CB 3.32Å; L128-S131 PolarHBondContact O-N 3.2Å; L128-V132 HydrophobicContact CD2-CG2 4.14Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.63Å; L128-L148 HydrophobicContact CB-CD2 4.47Å; L128-L148 HydrophobicContact CD1-CD1 3.45Å; L128-L148 VanDerWaalsContact CD1-CD1 3.45Å; L128-L148 HydrophobicContact CD1-CD2 3.9Å; L128-L148 HydrophobicContact CD1-CG 4.32Å; L128-L148 HydrophobicContact CG-CD1 3.97Å; L128-L148 HydrophobicContact CG-CD2 4.42Å; L128-E152 HydrophobicContact CD1-CB 3.99Å; L128-L156 HydrophobicContact CD2-CB 4.39Å; L128-L156 HydrophobicContact CD2-CD1 3.13Å; L128-L156 HydrophobicContact CD2-CG 3.86Å
129L91.6Very high91.5Very high87 Ų8750.8 Ų50.846%0.45532%0.317SS..Hα-helixtrans-60.3-42.4175-74.3169.2000112.3V125 K127 S131 V132 N133 L156V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 HydrophobicContact CG1-CG 4.42Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CG 3.3Å; V125-L129 PolarHBondContact O-N 3.47Å; K127-L129 PolarHBondContact O-N 3.04Å; L129-S131 VanDerWaalsContact C-N 3.35Å; L129-V132 PolarHBondContact O-N 2.97Å; L129-N133 WeakPolarHBondContact O-CB 3.43Å; L129-N133 PolarHBondContact O-N 3.46Å; L129-L156 HydrophobicContact CD2-CD1 3.49Å; L129-L156 VanDerWaalsContact CD2-CD1 3.49Å; L129-L156 HydrophobicContact CD2-CD2 4.22Å; L129-L156 HydrophobicContact CG-CD1 4.2Å
130S91.6Very high90.8Very high84 Ų8450 Ų5059%0.58732%0.317SS*.Hα-helixtrans-63.9-41.4177.3-58.50000111.6G126 K127 L128 N133 G134G126-S130 WeakPolarHBondContact O-CB 3.41Å; G126-S130 PolarHBondContact O-N 3.43Å; G126-S130 PolarHBondContact O-OG 2.96Å; K127-S130 PolarHBondContact O-N 3.44Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 2.87Å; S130-N133 PolarHBondContact O-N 3.15Å; S130-G134 PolarHBondContact O-N 3.39Å
131S89.9Confident90.2Very high72 Ų7255.2 Ų55.250%0.50335%0.353SS..Hα-helixtrans-62.3-46.6175.7-176.20000111.8K127 L128 L129 N133 G134 F135K127-S131 WeakPolarHBondContact O-CB 3.28Å; K127-S131 PolarHBondContact O-N 3.39Å; L128-S131 WeakPolarHBondContact O-CB 3.32Å; L128-S131 PolarHBondContact O-N 3.2Å; L129-S131 VanDerWaalsContact C-N 3.35Å; S131-N133 PolarHBondContact O-N 2.66Å; S131-G134 PolarHBondContact O-N 2.71Å; S131-F135 WeakPolarHBondContact O-CB 3.37Å; S131-F135 PolarHBondContact O-N 3.27Å
132V90.2Very high89.8Confident29 Ų2958 Ų5818%0.17638%0.375CS..Hα-helixtrans-57.7-50.6174.3165.80000110.5L128 L129 G134 F135 L136 L160L128-V132 HydrophobicContact CD2-CG2 4.14Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.63Å; L129-V132 PolarHBondContact O-N 2.97Å; V132-G134 VanDerWaalsContact C-N 3.29Å; V132-G134 PolarHBondContact O-N 3.42Å; V132-F135 WeakPolarHBondContact O-CA 3.46Å; V132-F135 WeakPolarHBondContact O-CB 3.37Å; V132-F135 PolarHBondContact O-N 3.49Å; V132-L136 HydrophobicContact CG1-CD1 4.21Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.37Å; V132-L160 HydrophobicContact CB-CD2 4.41Å; V132-L160 HydrophobicContact CG1-CD2 3.44Å; V132-L160 VanDerWaalsContact CG1-CD2 3.44Å; V132-L160 HydrophobicContact CG2-CD1 3.79Å; V132-L160 HydrophobicContact CG2-CD2 4.04Å
133N89.9Confident89.3Confident103 Ų10357 Ų5755%0.55138%0.378SS*.Hα-helixtrans-61.4-39.7-177.8-170.648000112.2L129 S130 S131 L136 S137L129-N133 WeakPolarHBondContact O-CB 3.43Å; L129-N133 PolarHBondContact O-N 3.46Å; S130-N133 PolarHBondContact O-N 3.15Å; S131-N133 PolarHBondContact O-N 2.66Å; N133-L136 PolarHBondContact O-N 3.02Å; N133-S137 WeakPolarHBondContact O-CB 3.43Å; N133-S137 PolarHBondContact O-N 3.31Å; N133-S137 VanDerWaalsContact O-N 3.09Å; N133-S137 PolarHBondContact O-OG 2.89Å
134G89.3Confident88.8Confident40 Ų4066.4 Ų66.441%0.41241%0.411SS..Hα-helixtrans-61.3-43.6171.700000112.5S130 S131 V132 S137 S138S130-G134 PolarHBondContact O-N 3.39Å; S131-G134 PolarHBondContact O-N 2.71Å; V132-G134 VanDerWaalsContact C-N 3.29Å; V132-G134 PolarHBondContact O-N 3.42Å; G134-S137 PolarHBondContact O-N 3.01Å; G134-S138 WeakPolarHBondContact O-CB 3.36Å; G134-S138 PolarHBondContact O-N 2.87Å; G134-S138 PolarHBondContact O-OG 2.96Å
135F89.3Confident88.2Confident45 Ų4570.9 Ų70.920%0.19744%0.438CS..Hα-helixtrans-59.8-48.2176.3174.3-105.7000111.9S131 V132 S137 S138 S140 T142 A143 M164S131-F135 WeakPolarHBondContact O-CB 3.37Å; S131-F135 PolarHBondContact O-N 3.27Å; V132-F135 WeakPolarHBondContact O-CA 3.46Å; V132-F135 WeakPolarHBondContact O-CB 3.37Å; V132-F135 PolarHBondContact O-N 3.49Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 2.91Å; F135-S138 PolarHBondContact O-N 3.19Å; F135-S138 PolarHBondContact O-OG 2.7Å; F135-S140 VanDerWaalsContact CE2-O 3.27Å; F135-S140 WeakPolarHBondContact CE2-O 3.35Å; F135-S140 WeakPolarHBondContact CZ-O 3.37Å; F135-T142 VanDerWaalsContact CE2-C 3.48Å; F135-A143 HydrophobicContact CD2-CB 3.77Å; F135-A143 HydrophobicContact CE2-CB 3.98Å; F135-A143 HydrophobicContact CG-CB 4.18Å; F135-M164 HydrophobicContact CE1-SD 4.14Å
136L87.5Confident87.9Confident58 Ų5873.2 Ų73.230%0.30446%0.456SS..Hα-helixtrans-59.2-44.8178.7-63-175.2000112.3V132 N133 M164V132-L136 HydrophobicContact CG1-CD1 4.21Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.37Å; N133-L136 PolarHBondContact O-N 3.02Å; L136-M164 HydrophobicContact CD1-CE 4.5Å; L136-M164 HydrophobicContact CD2-CE 3.15Å; L136-M164 HydrophobicContact CD2-SD 3.36Å; L136-M164 WeakPolarHBondContact CD2-SD 3.37Å; L136-M164 HydrophobicContact CG-CE 4.42Å
137S88.8Confident87.8Confident93 Ų9376.6 Ų76.665%0.6546%0.463SS*.Hα-helixtrans-69.2-34-178.3-56.80000112.6N133 G134 F135 G139N133-S137 WeakPolarHBondContact O-CB 3.43Å; N133-S137 PolarHBondContact O-N 3.31Å; N133-S137 VanDerWaalsContact O-N 3.09Å; N133-S137 PolarHBondContact O-OG 2.89Å; G134-S137 PolarHBondContact O-N 3.01Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 2.91Å; S137-G139 VanDerWaalsContact C-N 3.27Å; S137-G139 PolarHBondContact O-N 2.96Å
138S88.4Confident87.8Confident81 Ų8176.7 Ų76.757%0.56647%0.465SS*.Hα-helixtrans-70.9-19.4-178.371.70000114.3G134 F135 S140G134-S138 WeakPolarHBondContact O-CB 3.36Å; G134-S138 PolarHBondContact O-N 2.87Å; G134-S138 PolarHBondContact O-OG 2.96Å; F135-S138 PolarHBondContact O-N 3.19Å; F135-S138 PolarHBondContact O-OG 2.7Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 WeakPolarHBondContact OG-CB 3.36Å; S138-S140 PolarHBondContact OG-N 2.99Å
139G81Confident87.8Confident41 Ų4176.3 Ų76.342%0.42346%0.463SS..THydrogen-bonded Turntrans73.74.2-172.200000114.6S137 R171S137-G139 VanDerWaalsContact C-N 3.27Å; S137-G139 PolarHBondContact O-N 2.96Å; G139-R171 PolarHBondContact O-NH1 2.95Å
140S83.7Confident87.9Confident41 Ų4176.3 Ų76.329%0.28746%0.463SS..  trans-58.6151.3179.6-177.30000112.1F135 S138 T142F135-S140 VanDerWaalsContact CE2-O 3.27Å; F135-S140 WeakPolarHBondContact CE2-O 3.35Å; F135-S140 WeakPolarHBondContact CZ-O 3.37Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 WeakPolarHBondContact OG-CB 3.36Å; S138-S140 PolarHBondContact OG-N 2.99Å; S140-T142 PolarHBondContact OG-N 3.49Å; S140-T142 PolarHBondContact OG-O 3.47Å
141S81.9Confident88Confident112 Ų11273.2 Ų73.278%0.78344%0.44SS*.SBendtrans-95.1-17.4172.757.50000112.9
142T86.5Confident88.1Confident107 Ų10769.8 Ų69.866%0.65642%0.416SS*.  trans-130.4133.6-176.7610000111.3F135 S140F135-T142 VanDerWaalsContact CE2-C 3.48Å; S140-T142 PolarHBondContact OG-N 3.49Å; S140-T142 PolarHBondContact OG-O 3.47Å
143A85.8Confident88.1Confident59 Ų5971.7 Ų71.749%0.48843%0.425SS..  trans-114.8138.3171.600000109.5F135F135-A143 HydrophobicContact CD2-CB 3.77Å; F135-A143 HydrophobicContact CE2-CB 3.98Å; F135-A143 HydrophobicContact CG-CB 4.18Å
144R84.7Confident88.2Confident240 Ų24067.8 Ų67.891%0.90641%0.405SS*.  trans-86.8128165.9-77.4-155.1-174.2125.20.7109.1
145V82.4Confident88.1Confident93 Ų9369.2 Ų69.256%0.56441%0.406SS*.  trans-110.2112.3173.1176.90000107.3L148 L153V145-L148 HydrophobicContact CG1-CB 3.95Å; V145-L148 HydrophobicContact CG1-CD1 3.37Å; V145-L148 HydrophobicContact CG1-CG 3.68Å; V145-L153 HydrophobicContact CG1-CD2 4.27Å
146S86.5Confident88Confident75 Ų7568.2 Ų68.252%0.52440%0.402SS..  trans-121.3137.1179.154.10000110.4L148S146-L148 PolarHBondContact O-N 2.98Å; S146-L148 VanDerWaalsContact O-N 3.12Å
147Q90.2Very high88Confident102 Ų10269.9 Ų69.948%0.47741%0.408SS..SBendtrans61.414.6172.5-52.8-61.1-42.600115.8C84 T85 R124C84-Q147 HydrophobicContact CB-CB 4.37Å; C84-Q147 WeakPolarHBondContact O-CB 3.47Å; T85-Q147 WeakPolarHBondContact O-CB 3.35Å; R124-Q147 PolarHBondContact NH2-O 3.41Å
148L91.6Very high87.9Confident36 Ų3669.9 Ų69.919%0.18840%0.401CS..  trans-75.5145.3173.7-67.4-171.9000111.8C84 L128 V145 S146 E152 L153C84-L148 HydrophobicContact CB-CD2 4.18Å; C84-L148 VanDerWaalsContact SG-CD2 3.51Å; L128-L148 HydrophobicContact CB-CD2 4.47Å; L128-L148 HydrophobicContact CD1-CD1 3.45Å; L128-L148 VanDerWaalsContact CD1-CD1 3.45Å; L128-L148 HydrophobicContact CD1-CD2 3.9Å; L128-L148 HydrophobicContact CD1-CG 4.32Å; L128-L148 HydrophobicContact CG-CD1 3.97Å; L128-L148 HydrophobicContact CG-CD2 4.42Å; V145-L148 HydrophobicContact CG1-CB 3.95Å; V145-L148 HydrophobicContact CG1-CD1 3.37Å; V145-L148 HydrophobicContact CG1-CG 3.68Å; S146-L148 PolarHBondContact O-N 2.98Å; S146-L148 VanDerWaalsContact O-N 3.12Å; L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 WeakPolarHBondContact CD2-OE2 3.42Å; L148-L153 HydrophobicContact CB-CD1 4.3Å; L148-L153 HydrophobicContact CB-CG 4.09Å; L148-L153 HydrophobicContact CD1-CD2 3.82Å; L148-L153 HydrophobicContact CD1-CG 4.12Å
149T93.7Very high87.9Confident4 Ų471.7 Ų71.73%0.02540%0.404CS..  trans-83.8159.1171.166.20000111.4P87 P90 Y92 M151 E152 L153P87-T149 HydrophobicContact CB-CG2 3.92Å; P87-T149 HydrophobicContact CG-CG2 3.9Å; P90-T149 WeakPolarHBondContact O-CB 3.41Å; Y92-T149 HydrophobicContact CD1-CG2 4Å; Y92-T149 HydrophobicContact CE1-CG2 3.82Å; T149-M151 PolarHBondContact O-N 3.49Å; T149-E152 PolarHBondContact N-OE2 3.23Å; T149-E152 PolarHBondContact O-N 2.88Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.5Å; T149-E152 PolarHBondContact OG1-N 3.28Å; T149-E152 PolarHBondContact OG1-OE1 3.45Å; T149-E152 PolarHBondContact OG1-OE2 3.48Å; T149-L153 PolarHBondContact O-N 3.26Å
150N92.5Very high88.2Confident87 Ų8771.8 Ų71.847%0.46539%0.394SS..Hα-helixtrans-63.7-33.6177.5-70.5-29.4000112L6 L153 T154L6-N150 HydrophobicContact CD2-CB 3.55Å; N150-L153 PolarHBondContact O-N 2.87Å; N150-T154 VanDerWaalsContact O-CB 3.26Å; N150-T154 WeakPolarHBondContact O-CB 3.23Å; N150-T154 PolarHBondContact O-N 3.41Å; N150-T154 PolarHBondContact O-OG1 3.25Å
151M93.4Very high88.5Confident20 Ų2072.3 Ų72.310%0.09940%0.396CS..Hα-helixtrans-63.7-47.1175.5-169.955.877.600111.2P3 L6 I93 E94 W121 T149 L153 T154 T155P3-M151 HydrophobicContact CB-CE 4.37Å; P3-M151 HydrophobicContact CB-SD 4.27Å; L6-M151 HydrophobicContact CB-CE 3.87Å; L6-M151 HydrophobicContact CD1-CB 4.26Å; L6-M151 HydrophobicContact CD1-CE 3.85Å; L6-M151 HydrophobicContact CD1-SD 3.85Å; I93-M151 HydrophobicContact CB-CG 4.24Å; I93-M151 HydrophobicContact CG2-CG 4.01Å; E94-M151 HydrophobicContact CG-CE 3.46Å; E94-M151 VanDerWaalsContact CG-CE 3.46Å; W121-M151 HydrophobicContact CH2-CB 4.18Å; W121-M151 HydrophobicContact CH2-CG 3.54Å; W121-M151 HydrophobicContact CZ3-CB 3.89Å; W121-M151 HydrophobicContact CZ3-CG 3.56Å; T149-M151 PolarHBondContact O-N 3.49Å; M151-L153 PolarHBondContact O-N 3.3Å; M151-T154 PolarHBondContact O-N 2.97Å; M151-T155 VanDerWaalsContact O-CG2 3.29Å; M151-T155 WeakPolarHBondContact O-CG2 3.39Å; M151-T155 PolarHBondContact O-N 2.92Å
152E92.4Very high88.9Confident0 Ų071.9 Ų71.90%039%0.385CS..Hα-helixtrans-57.6-49.5174.9-73.4151.2-152.800111.3W121 R124 L128 L148 T149 T154 T155W121-E152 HydrophobicContact CE3-CG 4.03Å; W121-E152 HydrophobicContact CH2-CG 4.2Å; W121-E152 HydrophobicContact CZ3-CB 4.33Å; W121-E152 HydrophobicContact CZ3-CG 3.57Å; R124-E152 IonicContact CZ-OE1 3.61Å; R124-E152 IonicContact CZ-OE2 3.89Å; R124-E152 IonicContact NE-OE1 2.69Å; R124-E152 PolarHBondContact NE-OE1 3.21Å; R124-E152 IonicContact NE-OE2 2.71Å; R124-E152 IonicContact NH2-OE1 2.73Å; R124-E152 PolarHBondContact NH2-OE1 3.26Å; R124-E152 IonicContact NH2-OE2 2.75Å; R124-E152 PolarHBondContact NH2-OE2 2.93Å; L128-E152 HydrophobicContact CD1-CB 3.99Å; L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 WeakPolarHBondContact CD2-OE2 3.42Å; T149-E152 PolarHBondContact N-OE2 3.23Å; T149-E152 PolarHBondContact O-N 2.88Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.5Å; T149-E152 PolarHBondContact OG1-N 3.28Å; T149-E152 PolarHBondContact OG1-OE1 3.45Å; T149-E152 PolarHBondContact OG1-OE2 3.48Å; E152-T154 VanDerWaalsContact C-N 3.34Å; E152-T154 PolarHBondContact O-N 2.93Å; E152-T155 PolarHBondContact O-N 2.9Å; E152-T155 PolarHBondContact O-OG1 3.49Å
153L90.7Very high89.2Confident68 Ų6869 Ų6936%0.35637%0.369SS..Hα-helixtrans-60.2-43.5179.7-80.1165.9000112.5V145 L148 T149 N150 M151 T155 L156 H157V145-L153 HydrophobicContact CG1-CD2 4.27Å; L148-L153 HydrophobicContact CB-CD1 4.3Å; L148-L153 HydrophobicContact CB-CG 4.09Å; L148-L153 HydrophobicContact CD1-CD2 3.82Å; L148-L153 HydrophobicContact CD1-CG 4.12Å; T149-L153 PolarHBondContact O-N 3.26Å; N150-L153 PolarHBondContact O-N 2.87Å; M151-L153 PolarHBondContact O-N 3.3Å; L153-T155 PolarHBondContact O-N 3.19Å; L153-L156 PolarHBondContact O-N 3.05Å; L153-H157 WeakPolarHBondContact O-CB 3.25Å; L153-H157 PolarHBondContact O-N 2.92Å
154T90.9Very high89.3Confident22 Ų2268.3 Ų68.314%0.13536%0.356CS..Hα-helixtrans-65.9-29.2-175.7-61.70000112.2M1 L6 N150 M151 E152 L156M1-T154 HydrophobicContact CB-CG2 4.24Å; M1-T154 WeakPolarHBondContact O-CG2 3.33Å; L6-T154 HydrophobicContact CD1-CG2 4.16Å; L6-T154 WeakPolarHBondContact CD1-OG1 3.39Å; N150-T154 VanDerWaalsContact O-CB 3.26Å; N150-T154 WeakPolarHBondContact O-CB 3.23Å; N150-T154 PolarHBondContact O-N 3.41Å; N150-T154 PolarHBondContact O-OG1 3.25Å; M151-T154 PolarHBondContact O-N 2.97Å; E152-T154 VanDerWaalsContact C-N 3.34Å; E152-T154 PolarHBondContact O-N 2.93Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 3.45Å
155T88.8Confident89.6Confident69 Ų6961.3 Ų61.342%0.42334%0.337SS..Hα-helixtrans-62.3-37.5178.764.30000113.3W121 M151 E152 L153W121-T155 HydrophobicContact CH2-CG2 3.58Å; W121-T155 HydrophobicContact CZ2-CG2 3.56Å; M151-T155 VanDerWaalsContact O-CG2 3.29Å; M151-T155 WeakPolarHBondContact O-CG2 3.39Å; M151-T155 PolarHBondContact O-N 2.92Å; E152-T155 PolarHBondContact O-N 2.9Å; E152-T155 PolarHBondContact O-OG1 3.49Å; L153-T155 PolarHBondContact O-N 3.19Å
156L87.2Confident90.1Very high24 Ų2462.4 Ų62.413%0.12634%0.336CS..Hα-helixtrans-104.8-13.6-179-63.1-160.5000113.8L128 L129 L153 T154 N158 L159 L160L128-L156 HydrophobicContact CD2-CB 4.39Å; L128-L156 HydrophobicContact CD2-CD1 3.13Å; L128-L156 HydrophobicContact CD2-CG 3.86Å; L129-L156 HydrophobicContact CD2-CD1 3.49Å; L129-L156 VanDerWaalsContact CD2-CD1 3.49Å; L129-L156 HydrophobicContact CD2-CD2 4.22Å; L129-L156 HydrophobicContact CG-CD1 4.2Å; L153-L156 PolarHBondContact O-N 3.05Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 3.45Å; L156-N158 PolarHBondContact O-N 2.88Å; L156-L159 PolarHBondContact O-N 2.72Å; L156-L159 VanDerWaalsContact O-N 3.09Å; L156-L160 HydrophobicContact CB-CD1 3.57Å; L156-L160 HydrophobicContact CB-CG 3.93Å; L156-L160 HydrophobicContact CD1-CD1 4.16Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.08Å
157H87.3Confident90.3Very high93 Ų9361.4 Ų61.443%0.43132%0.324SS..Hα-helixtrans-45.4-58.9-172.6176.2-91.4000112.7L153 L159 L160 T161L153-H157 WeakPolarHBondContact O-CB 3.25Å; L153-H157 PolarHBondContact O-N 2.92Å; H157-L159 VanDerWaalsContact C-N 3.3Å; H157-L159 PolarHBondContact O-N 3.22Å; H157-L160 PolarHBondContact O-N 3.37Å; H157-T161 WeakPolarHBondContact O-CG2 3.47Å; H157-T161 PolarHBondContact O-N 2.9Å; H157-T161 PolarHBondContact O-OG1 3.2Å
158N86Confident90.2Very high94 Ų9458.7 Ų58.750%0.50332%0.316SS..Hα-helixtrans-64.1-35.7-174.1-65.3-18.2000112.7L156 N162L156-N158 PolarHBondContact O-N 2.88Å; N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.35Å; N158-N162 PolarHBondContact O-N 2.88Å; N158-N162 PolarHBondContact O-ND2 3.35Å
159L88.5Confident90.3Very high118 Ų11861.3 Ų61.362%0.61833%0.33SS*.Hα-helixtrans-70.8-47.3177.9178.163000110.5L156 H157 S163L156-L159 PolarHBondContact O-N 2.72Å; L156-L159 VanDerWaalsContact O-N 3.09Å; H157-L159 VanDerWaalsContact C-N 3.3Å; H157-L159 PolarHBondContact O-N 3.22Å; L159-S163 VanDerWaalsContact O-CB 3.26Å; L159-S163 WeakPolarHBondContact O-CB 3.23Å; L159-S163 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-OG 2.71Å
160L88.6Confident90.2Very high44 Ų4466.8 Ų66.823%0.2336%0.359CS..Hα-helixtrans-66.7-49.5-176-70.2175.8000111.9V132 L156 H157 N162 S163 M164V132-L160 HydrophobicContact CB-CD2 4.41Å; V132-L160 HydrophobicContact CG1-CD2 3.44Å; V132-L160 VanDerWaalsContact CG1-CD2 3.44Å; V132-L160 HydrophobicContact CG2-CD1 3.79Å; V132-L160 HydrophobicContact CG2-CD2 4.04Å; L156-L160 HydrophobicContact CB-CD1 3.57Å; L156-L160 HydrophobicContact CB-CG 3.93Å; L156-L160 HydrophobicContact CD1-CD1 4.16Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.08Å; H157-L160 PolarHBondContact O-N 3.37Å; L160-N162 PolarHBondContact O-N 3.4Å; L160-S163 PolarHBondContact O-N 3.47Å; L160-S163 PolarHBondContact O-OG 3.07Å; L160-S163 VanDerWaalsContact O-OG 3.13Å; L160-M164 WeakPolarHBondContact O-CB 3.48Å; L160-M164 WeakPolarHBondContact O-CG 3.32Å; L160-M164 PolarHBondContact O-N 3.31Å
161T88.5Confident90Very high51 Ų5167.6 Ų67.631%0.31336%0.355SS..Hα-helixtrans-61.6-48.3-17855.70000111H157 S163 M164 D165H157-T161 WeakPolarHBondContact O-CG2 3.47Å; H157-T161 PolarHBondContact O-N 2.9Å; H157-T161 PolarHBondContact O-OG1 3.2Å; T161-S163 PolarHBondContact O-N 3.22Å; T161-M164 PolarHBondContact O-N 3.18Å; T161-D165 VanDerWaalsContact O-CG 3.27Å; T161-D165 PolarHBondContact O-N 3.45Å
162N91.1Very high89.8Confident104 Ų10471.7 Ų71.756%0.55637%0.374SS*.Hα-helixtrans-63.8-44.6-178.8-67.8-18.1000111.9N158 L160 Q166N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.35Å; N158-N162 PolarHBondContact O-N 2.88Å; N158-N162 PolarHBondContact O-ND2 3.35Å; L160-N162 PolarHBondContact O-N 3.4Å; N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 2.89Å
163S91.3Very high89.8Confident46 Ų4674.2 Ų74.232%0.32240%0.395SS..Hα-helixtrans-68.5-35.5178.758.70000112.3L159 L160 T161 Q166 L167L159-S163 VanDerWaalsContact O-CB 3.26Å; L159-S163 WeakPolarHBondContact O-CB 3.23Å; L159-S163 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-OG 2.71Å; L160-S163 PolarHBondContact O-N 3.47Å; L160-S163 PolarHBondContact O-OG 3.07Å; L160-S163 VanDerWaalsContact O-OG 3.13Å; T161-S163 PolarHBondContact O-N 3.22Å; S163-Q166 PolarHBondContact O-N 3.05Å; S163-L167 VanDerWaalsContact O-CB 3.23Å; S163-L167 WeakPolarHBondContact O-CB 3.44Å; S163-L167 PolarHBondContact O-N 2.98Å
164M89.4Confident89.8Confident44 Ų4475.3 Ų75.322%0.21740%0.404CS..Hα-helixtrans-71-37.4178.9-72.6-50.893.200112.3F135 L136 L160 T161 L167 S168F135-M164 HydrophobicContact CE1-SD 4.14Å; L136-M164 HydrophobicContact CD1-CE 4.5Å; L136-M164 HydrophobicContact CD2-CE 3.15Å; L136-M164 HydrophobicContact CD2-SD 3.36Å; L136-M164 WeakPolarHBondContact CD2-SD 3.37Å; L136-M164 HydrophobicContact CG-CE 4.42Å; L160-M164 WeakPolarHBondContact O-CB 3.48Å; L160-M164 WeakPolarHBondContact O-CG 3.32Å; L160-M164 PolarHBondContact O-N 3.31Å; T161-M164 PolarHBondContact O-N 3.18Å; M164-L167 HydrophobicContact CE-CB 4.35Å; M164-L167 HydrophobicContact CE-CD1 4.12Å; M164-L167 PolarHBondContact O-N 3.36Å; M164-S168 WeakPolarHBondContact O-CB 3.2Å; M164-S168 PolarHBondContact O-N 2.76Å
165D91.5Very high89.6Confident93 Ų9377.2 Ų77.250%0.49742%0.419SS..Hα-helixtrans-59.8-48.6173.4-71-21.1000110.3T161 L167 S168 L169T161-D165 VanDerWaalsContact O-CG 3.27Å; T161-D165 PolarHBondContact O-N 3.45Å; D165-L167 PolarHBondContact O-N 3.3Å; D165-S168 PolarHBondContact O-N 3.4Å; D165-S168 PolarHBondContact O-OG 3.35Å; D165-L169 WeakPolarHBondContact O-CG 3.12Å; D165-L169 PolarHBondContact O-N 3.5Å
166Q92.6Very high89.4Confident116 Ų11679.3 Ų79.354%0.54242%0.424SS..Hα-helixtrans-61.6-43.7176.6-63.9-54-51.700112.3N162 S163 S168 L169 L170N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 2.89Å; S163-Q166 PolarHBondContact O-N 3.05Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.39Å; Q166-L169 PolarHBondContact O-N 2.76Å; Q166-L170 WeakPolarHBondContact O-CG 3.48Å; Q166-L170 PolarHBondContact O-N 2.6Å
167L90.6Very high89.3Confident54 Ų5481.3 Ų81.328%0.28344%0.444SS..Hα-helixtrans-64.8-36179.1-172.6145.3000111.6S163 M164 D165 L170 R171S163-L167 VanDerWaalsContact O-CB 3.23Å; S163-L167 WeakPolarHBondContact O-CB 3.44Å; S163-L167 PolarHBondContact O-N 2.98Å; M164-L167 HydrophobicContact CE-CB 4.35Å; M164-L167 HydrophobicContact CE-CD1 4.12Å; M164-L167 PolarHBondContact O-N 3.36Å; D165-L167 PolarHBondContact O-N 3.3Å; L167-L170 PolarHBondContact O-N 3.11Å; L167-R171 HydrophobicContact CD2-CG 4.36Å; L167-R171 VanDerWaalsContact CD2-NE 3.33Å; L167-R171 WeakPolarHBondContact O-CG 3.46Å; L167-R171 PolarHBondContact O-N 3.15Å
168S88.5Confident88.9Confident45 Ų4581.9 Ų81.932%0.31545%0.453SS..Hα-helixtrans-65.2-42.8174.483.30000111.7M164 D165 Q166 L170 R171 Q172M164-S168 WeakPolarHBondContact O-CB 3.2Å; M164-S168 PolarHBondContact O-N 2.76Å; D165-S168 PolarHBondContact O-N 3.4Å; D165-S168 PolarHBondContact O-OG 3.35Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.39Å; S168-L170 PolarHBondContact O-N 3.3Å; S168-R171 PolarHBondContact O-N 3.45Å; S168-Q172 VanDerWaalsContact O-CG 3.3Å; S168-Q172 WeakPolarHBondContact O-CG 3.38Å; S168-Q172 PolarHBondContact O-N 3.37Å
169L93.2Very high88.2Confident92 Ų9284.6 Ų84.648%0.48246%0.463SS..Hα-helixtrans-62.1-44.2176.7-69.5172.4000111D165 Q166 Q172 A173D165-L169 WeakPolarHBondContact O-CG 3.12Å; D165-L169 PolarHBondContact O-N 3.5Å; Q166-L169 PolarHBondContact O-N 2.76Å; L169-Q172 PolarHBondContact O-N 3.14Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.41Å
170L91.6Very high86.8Confident118 Ų11887.2 Ų87.262%0.61847%0.47SS*.Hα-helixtrans-64.3-40.7177.2-70.3174.4000112.3Q166 L167 S168 A173 T174Q166-L170 WeakPolarHBondContact O-CG 3.48Å; Q166-L170 PolarHBondContact O-N 2.6Å; L167-L170 PolarHBondContact O-N 3.11Å; S168-L170 PolarHBondContact O-N 3.3Å; L170-A173 PolarHBondContact O-N 2.98Å; L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 2.87Å; L170-T174 PolarHBondContact O-OG1 3.44Å
171R88.3Confident85.3Confident105 Ų10587.5 Ų87.540%0.39648%0.483SS..Hα-helixtrans-62.4-43.8174.9-76.9-178.9178.5170.45.1111.3G139 L167 S168 T174 S175G139-R171 PolarHBondContact O-NH1 2.95Å; L167-R171 HydrophobicContact CD2-CG 4.36Å; L167-R171 VanDerWaalsContact CD2-NE 3.33Å; L167-R171 WeakPolarHBondContact O-CG 3.46Å; L167-R171 PolarHBondContact O-N 3.15Å; S168-R171 PolarHBondContact O-N 3.45Å; R171-T174 PolarHBondContact O-N 3.42Å; R171-S175 PolarHBondContact O-N 3.09Å; R171-S175 PolarHBondContact O-OG 2.92Å
172Q89.4Confident83.3Confident105 Ų10587.6 Ų87.649%0.49150%0.495SS..Hα-helixtrans-63.2-48.2177.2-70.9172.228.600111.7S168 L169 T174 S175 Q176S168-Q172 VanDerWaalsContact O-CG 3.3Å; S168-Q172 WeakPolarHBondContact O-CG 3.38Å; S168-Q172 PolarHBondContact O-N 3.37Å; L169-Q172 PolarHBondContact O-N 3.14Å; Q172-T174 VanDerWaalsContact C-N 3.3Å; Q172-T174 PolarHBondContact O-N 3.33Å; Q172-S175 WeakPolarHBondContact CA-OG 3.44Å; Q172-S175 PolarHBondContact O-N 3Å; Q172-S175 PolarHBondContact O-OG 3.34Å; Q172-Q176 WeakPolarHBondContact O-CG 3.47Å; Q172-Q176 PolarHBondContact O-N 3.48Å
173A92.2Very high80.9Confident54 Ų5485 Ų8545%0.44649%0.493SS..Hα-helixtrans-60.9-4017800000112.3L169 L170 Q176 A177L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.41Å; L170-A173 PolarHBondContact O-N 2.98Å; A173-Q176 PolarHBondContact O-N 2.97Å; A173-A177 WeakPolarHBondContact O-CB 3.01Å; A173-A177 PolarHBondContact O-N 3.37Å
174T90.7Very high78.7Confident90 Ų9086 Ų8655%0.55250%0.504SS*.Hα-helixtrans-64.8-43.2176.6-53.10000111L170 R171 Q172 Q176 A177 V178L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 2.87Å; L170-T174 PolarHBondContact O-OG1 3.44Å; R171-T174 PolarHBondContact O-N 3.42Å; Q172-T174 VanDerWaalsContact C-N 3.3Å; Q172-T174 PolarHBondContact O-N 3.33Å; T174-Q176 PolarHBondContact O-N 2.85Å; T174-A177 PolarHBondContact O-N 2.92Å; T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 2.84Å; T174-V178 VanDerWaalsContact O-N 3.14Å
175S86.3Confident76.5Confident63 Ų6387.4 Ų87.444%0.44152%0.523SS..Hα-helixtrans-61.7-42.2176.6640000112.7R171 Q172 V178 E179R171-S175 PolarHBondContact O-N 3.09Å; R171-S175 PolarHBondContact O-OG 2.92Å; Q172-S175 WeakPolarHBondContact CA-OG 3.44Å; Q172-S175 PolarHBondContact O-N 3Å; Q172-S175 PolarHBondContact O-OG 3.34Å; S175-V178 PolarHBondContact O-N 3.47Å; S175-E179 PolarHBondContact O-N 3Å
176Q84.9Confident74Confident113 Ų11389.6 Ų89.653%0.52853%0.534SS..Hα-helixtrans-64.7-42176.2-69.4177.1200112Q172 A173 T174 V178 E179 F180Q172-Q176 WeakPolarHBondContact O-CG 3.47Å; Q172-Q176 PolarHBondContact O-N 3.48Å; A173-Q176 PolarHBondContact O-N 2.97Å; T174-Q176 PolarHBondContact O-N 2.85Å; Q176-V178 VanDerWaalsContact C-N 3.29Å; Q176-V178 PolarHBondContact O-N 2.84Å; Q176-E179 PolarHBondContact O-N 2.73Å; Q176-F180 WeakPolarHBondContact O-CD2 3.48Å; Q176-F180 PolarHBondContact O-N 2.8Å; Q176-F180 VanDerWaalsContact O-N 3.07Å
177A84.2Confident71.4Confident65 Ų6594.4 Ų94.454%0.53755%0.547SS..Hα-helixtrans-62-37.1178.400000112.5A173 T174 F180 G181A173-A177 WeakPolarHBondContact O-CB 3.01Å; A173-A177 PolarHBondContact O-N 3.37Å; T174-A177 PolarHBondContact O-N 2.92Å; A177-F180 PolarHBondContact O-N 3.37Å; A177-G181 PolarHBondContact O-N 3.39Å
178V80.6Confident69.1Low105 Ų10598 Ų9864%0.63657%0.572SS**Hα-helixtrans-65.7-40.1175.8173.50000111.2T174 S175 Q176 G181 G182T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 2.84Å; T174-V178 VanDerWaalsContact O-N 3.14Å; S175-V178 PolarHBondContact O-N 3.47Å; Q176-V178 VanDerWaalsContact C-N 3.29Å; Q176-V178 PolarHBondContact O-N 2.84Å; V178-G181 PolarHBondContact O-N 3.22Å; V178-G182 PolarHBondContact O-N 3.44Å
179E70Confident66.7Low151 Ų151100.1 Ų100.171%0.70659%0.586SS**Hα-helixtrans-64.4-41.9176.5-70.4179.6172.100112.5S175 Q176S175-E179 PolarHBondContact O-N 3Å; Q176-E179 PolarHBondContact O-N 2.73Å
180F60.3Low64.2Low173 Ų173104.1 Ų104.176%0.75960%0.6SS**Hα-helixtrans-70.5-34.1175.8-83.3-79.6000113.1Q176 A177 G183Q176-F180 WeakPolarHBondContact O-CD2 3.48Å; Q176-F180 PolarHBondContact O-N 2.8Å; Q176-F180 VanDerWaalsContact O-N 3.07Å; A177-F180 PolarHBondContact O-N 3.37Å; F180-G183 PolarHBondContact O-N 3.04Å
181G55.7Low61.7Low50 Ų50106.4 Ų106.452%0.51561%0.612SS.*Hα-helixtrans-69.5-33.1176.600000113.7A177 V178 G183 A184A177-G181 PolarHBondContact O-N 3.39Å; V178-G181 PolarHBondContact O-N 3.22Å; G181-G183 VanDerWaalsContact C-N 3.27Å; G181-G183 PolarHBondContact O-N 3.38Å; G181-A184 PolarHBondContact O-N 3.43Å
182G47.8Very low59.3Low54 Ų54109.2 Ų109.256%0.55764%0.635SS**Hα-helixtrans-67.3-23.3175.700000114.2V178V178-G182 PolarHBondContact O-N 3.44Å
183G39.5Very low56.8Low50 Ų50109.6 Ų109.652%0.51565%0.649SS.*THydrogen-bonded Turntrans-77.2-16.9178.600000115.2F180 G181F180-G183 PolarHBondContact O-N 3.04Å; G181-G183 VanDerWaalsContact C-N 3.27Å; G181-G183 PolarHBondContact O-N 3.38Å
184A44.9Very low54.2Low66 Ų66112.5 Ų112.555%0.54567%0.666SS.*SBendtrans-82.2-21.9-176.800000113.7G181 N186 R187G181-A184 PolarHBondContact O-N 3.43Å; A184-N186 VanDerWaalsContact C-N 3.28Å; A184-N186 PolarHBondContact O-N 3.49Å; A184-R187 PolarHBondContact O-N 3.33Å
185A44.5Very low51.8Low74 Ų74113.6 Ų113.661%0.61268%0.678SS**THydrogen-bonded Turntrans-71.8-17.9-177.800000114.1
186N38.3Very low49.6Very low138 Ų138118.3 Ų118.374%0.73870%0.703SS**THydrogen-bonded Turntrans-986.5180-88.3-7.9000114.8A184A184-N186 VanDerWaalsContact C-N 3.28Å; A184-N186 PolarHBondContact O-N 3.49Å
187R37.9Very low47.4Very low217 Ų217116.1 Ų116.182%0.81971%0.711SS**SBendtrans-96.71.3178.8-87.4-173.7177.6-179.10.8115.3A184A184-R187 PolarHBondContact O-N 3.33Å
188T42.1Very low45.5Very low130 Ų130124.7 Ų124.780%0.79875%0.748SS**SBendtrans-93.64.1-178.149.30000115.1
189S38.6Very low43.8Very low89 Ų89125.7 Ų125.762%0.62275%0.754SS**SBendtrans-101.11.5-177.855.20000116.3
190F40.4Very low42.4Very low176 Ų176124.4 Ų124.477%0.77276%0.756SS**SBendtrans-107.310.1-174.9-78.5-79.2000116.3
191L39.4Very low41.4Very low167 Ų167121.7 Ų121.787%0.87476%0.756SS**SBendtrans-116.318.3-179-75.2170.8000115.1
192N36.8Very low40.5Very low164 Ų164125.9 Ų125.988%0.87777%0.77SS**  trans-129.262.6177-139.114.7000112.3
193S37.4Very low40.1Very low112 Ų112130.4 Ų130.478%0.78378%0.784SS**  trans-15455.6166.452.80000112.1
194S38.8Very low40.1Very low115 Ų115135.7 Ų135.780%0.80480%0.802SS**  trans-162.470.5166.856.70000112.4
195S39.4Very low39.8Very low114 Ų114140.7 Ų140.780%0.79782%0.82SS**  trans-172.782.7147.368.10000112.1
196V39.3Very low39.4Very low161 Ų161145.8 Ų145.898%0.97684%0.836SS**  trans-139.3106.6146.6-1790000106
197G40.1Very low39.5Very low67 Ų67146.5 Ų146.569%0.69184%0.844SS**  trans173.466-174.600000109.9
198N44Very low39.7Very low246 Ų246140.1 Ų140.1100%1.31685%0.846SS**  trans-172.20150.5-94.2-8.2000108.9

Retrieved 198 of 198 residues in 53.7 ms (Link to these results)

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