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DNA replication complex GINS protein PSF1

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex is a core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex seems to bind preferentially to single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A060W7E6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gins1, Length 196 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
1M75.3Confident93.8Very high202 Ų20269.5 Ų69.5100%0.99532%0.32SS*.  01530-167.8177.1-101.900107E4M1-E4 HydrophobicContact CB-CG 4.15Å; M1-E4 VanDerWaalsContact O-CG 3.26Å; M1-E4 WeakPolarHBondContact O-CG 3.25Å
2F91.9Very high93.6Very high80 Ų8069.9 Ų69.935%0.35132%0.322SS..THydrogen-bonded Turntrans-67.2158.2177-66.4-58.3000111.2E4 E35 L39 F64 C68F2-E4 PolarHBondContact O-N 2.67Å; F2-E35 WeakPolarHBondContact CA-OE1 3.3Å; F2-L39 HydrophobicContact CD1-CD1 4Å; F2-L39 HydrophobicContact CD1-CD2 3.91Å; F2-L39 HydrophobicContact CD1-CG 4.26Å; F2-L39 HydrophobicContact CE1-CD1 4.37Å; F2-L39 HydrophobicContact CE1-CD2 3.45Å; F2-L39 VanDerWaalsContact CE1-CD2 3.45Å; F2-L39 HydrophobicContact CE1-CG 4.12Å; F2-L39 HydrophobicContact CE2-CD2 4.12Å; F2-L39 HydrophobicContact CG-CD1 4.39Å; F2-L39 HydrophobicContact CG-CD2 4.45Å; F2-L39 HydrophobicContact CZ-CD2 3.57Å; F2-F64 HydrophobicContact CD2-CD1 4.39Å; F2-F64 AromaticContact CD2-CE1 3.55Å; F2-F64 HydrophobicContact CD2-CE1 3.55Å; F2-F64 HydrophobicContact CD2-CZ 4.19Å; F2-F64 HydrophobicContact CE2-CD1 4.32Å; F2-F64 AromaticContact CE2-CE1 3.69Å; F2-F64 HydrophobicContact CE2-CE1 3.69Å; F2-C68 HydrophobicContact CB-CB 4.08Å; F2-C68 HydrophobicContact CG-CB 4.45Å
3C96.3Very high93.4Very high8 Ų865.2 Ų65.25%0.05430%0.301CS..THydrogen-bonded Turntrans67.29.3175.1-44.30000115.9K5 A6 I7 E35 C68 R71 N72C3-K5 PolarHBondContact O-N 3.14Å; C3-A6 PolarHBondContact O-N 3.25Å; C3-I7 WeakPolarHBondContact O-CG1 3.43Å; C3-I7 PolarHBondContact O-N 3.41Å; C3-E35 PolarHBondContact N-OE1 3.25Å; C3-C68 PolarHBondContact SG-O 2.64Å; C3-R71 HydrophobicContact CB-CG 4.14Å; C3-N72 VanDerWaalsContact CA-OD1 3.27Å; C3-N72 WeakPolarHBondContact CA-OD1 3.24Å; C3-N72 VanDerWaalsContact CB-OD1 3.27Å; C3-N72 WeakPolarHBondContact CB-OD1 3.28Å; C3-N72 PolarHBondContact SG-OD1 2.82Å; C3-N72 VanDerWaalsContact SG-OD1 3.33Å
4E96.6Very high93.3Very high90 Ų9072.1 Ų72.142%0.42133%0.333SS..Hα-helixtrans-61.8-44.9-179-71.8-69.1173.700111.5M1 F2 A6 I7 E8M1-E4 HydrophobicContact CB-CG 4.15Å; M1-E4 VanDerWaalsContact O-CG 3.26Å; M1-E4 WeakPolarHBondContact O-CG 3.25Å; F2-E4 PolarHBondContact O-N 2.67Å; E4-A6 VanDerWaalsContact C-N 3.32Å; E4-A6 PolarHBondContact O-N 3.39Å; E4-I7 PolarHBondContact O-N 2.76Å; E4-I7 VanDerWaalsContact O-N 3.14Å; E4-E8 PolarHBondContact O-N 3.46Å
5K96.4Very high93.1Very high45 Ų4580.3 Ų80.320%0.19636%0.36CS..Hα-helixtrans-65.3-38179.5-166.770.2-170.9174.30112.3C3 I7 E8 I9 Q31 V32C3-K5 PolarHBondContact O-N 3.14Å; K5-I7 VanDerWaalsContact C-N 3.27Å; K5-I7 PolarHBondContact O-N 2.94Å; K5-E8 VanDerWaalsContact CD-OE2 3.3Å; K5-E8 WeakPolarHBondContact CD-OE2 3.26Å; K5-E8 WeakPolarHBondContact CE-OE2 3.49Å; K5-E8 IonicContact NZ-OE1 2.82Å; K5-E8 IonicContact NZ-OE2 3.33Å; K5-E8 PolarHBondContact NZ-OE2 3.48Å; K5-E8 WeakPolarHBondContact O-CB 3.3Å; K5-E8 PolarHBondContact O-N 3.21Å; K5-I9 PolarHBondContact O-N 2.92Å; K5-Q31 HydrophobicContact CG-CB 3.95Å; K5-V32 HydrophobicContact CB-CG2 3.83Å; K5-V32 HydrophobicContact CG-CG2 3.85Å
6A96.6Very high92.8Very high0 Ų079.3 Ų79.30%036%0.357CS..Hα-helixtrans-65.5-31.1176.100000112.4C3 E4 I9 I10 V32 N72 C75C3-A6 PolarHBondContact O-N 3.25Å; E4-A6 VanDerWaalsContact C-N 3.32Å; E4-A6 PolarHBondContact O-N 3.39Å; A6-I9 WeakPolarHBondContact O-CG1 3.01Å; A6-I10 WeakPolarHBondContact O-CG1 3.39Å; A6-V32 HydrophobicContact CB-CG1 4.02Å; A6-V32 HydrophobicContact CB-CG2 3.91Å; A6-N72 WeakPolarHBondContact CB-OD1 3.29Å; A6-C75 HydrophobicContact CB-CB 3.75Å
7I96.1Very high92Very high42 Ų4276.8 Ų76.822%0.21536%0.358CS..Hα-helixtrans-75.9-37.8174-67.6166.7000110.8C3 E4 K5 I10 R11C3-I7 WeakPolarHBondContact O-CG1 3.43Å; C3-I7 PolarHBondContact O-N 3.41Å; E4-I7 PolarHBondContact O-N 2.76Å; E4-I7 VanDerWaalsContact O-N 3.14Å; K5-I7 VanDerWaalsContact C-N 3.27Å; K5-I7 PolarHBondContact O-N 2.94Å; I7-I10 PolarHBondContact O-N 3.21Å; I7-R11 HydrophobicContact CG2-CG 4.21Å; I7-R11 VanDerWaalsContact CG2-CZ 3.45Å; I7-R11 WeakPolarHBondContact O-CG 3.41Å; I7-R11 PolarHBondContact O-N 2.83Å
8E95.9Very high90.7Very high101 Ų10181.7 Ų81.747%0.47239%0.387SS..Hα-helixtrans-57.5-48.9177.8-167.2-176.1-17800111.8E4 K5 I10 R11 E12E4-E8 PolarHBondContact O-N 3.46Å; K5-E8 VanDerWaalsContact CD-OE2 3.3Å; K5-E8 WeakPolarHBondContact CD-OE2 3.26Å; K5-E8 WeakPolarHBondContact CE-OE2 3.49Å; K5-E8 IonicContact NZ-OE1 2.82Å; K5-E8 IonicContact NZ-OE2 3.33Å; K5-E8 PolarHBondContact NZ-OE2 3.48Å; K5-E8 WeakPolarHBondContact O-CB 3.3Å; K5-E8 PolarHBondContact O-N 3.21Å; E8-I10 VanDerWaalsContact C-N 3.26Å; E8-I10 PolarHBondContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.35Å; E8-R11 VanDerWaalsContact O-N 3.15Å; E8-E12 PolarHBondContact O-N 3Å
9I95.8Very high89.6Confident1 Ų179 Ų791%0.00538%0.384CS..Hα-helixtrans-60.8-34.6178.861.6169.2000112.5K5 A6 L13 Y79K5-I9 PolarHBondContact O-N 2.92Å; A6-I9 WeakPolarHBondContact O-CG1 3.01Å; I9-L13 WeakPolarHBondContact O-CB 3.35Å; I9-L13 PolarHBondContact O-N 3.38Å; I9-L13 VanDerWaalsContact O-N 3.15Å; I9-Y79 HydrophobicContact CB-CD2 4.2Å; I9-Y79 HydrophobicContact CD1-CG 4.25Å
10I95.9Very high89.4Confident56 Ų5681 Ų8129%0.28739%0.392SS..Hα-helixtrans-72.7-41.7177.5-67.3-63.1000110.8A6 I7 E8 E12 L13 H14 C75 A78A6-I10 WeakPolarHBondContact O-CG1 3.39Å; I7-I10 PolarHBondContact O-N 3.21Å; E8-I10 VanDerWaalsContact C-N 3.26Å; E8-I10 PolarHBondContact O-N 3.09Å; I10-E12 VanDerWaalsContact C-N 3.33Å; I10-L13 PolarHBondContact O-N 3.23Å; I10-H14 WeakPolarHBondContact O-CB 3.17Å; I10-H14 PolarHBondContact O-N 3.29Å; I10-C75 WeakPolarHBondContact CD1-O 3.42Å; I10-C75 HydrophobicContact CG1-CB 4.15Å; I10-A78 HydrophobicContact CD1-CB 4.1Å
11R94.8Very high89.5Confident140 Ų14077.9 Ų77.953%0.52838%0.377SS..Hα-helixtrans-65.1-39.1177.5-74.4176.4177.11571.3111.5I7 E8 H14 R15I7-R11 HydrophobicContact CG2-CG 4.21Å; I7-R11 VanDerWaalsContact CG2-CZ 3.45Å; I7-R11 WeakPolarHBondContact O-CG 3.41Å; I7-R11 PolarHBondContact O-N 2.83Å; E8-R11 PolarHBondContact O-N 3.35Å; E8-R11 VanDerWaalsContact O-N 3.15Å; R11-H14 PolarHBondContact O-N 3.3Å; R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.38Å; R11-R15 PolarHBondContact O-N 3.45Å; R11-R15 VanDerWaalsContact O-N 3.15Å
12E92Very high90.4Very high74 Ų7469 Ų6935%0.34634%0.335SS..Hα-helixtrans-59-50.9173.9-174.4-176.2-179.500110.7E8 I10 H14 R15 N25E8-E12 PolarHBondContact O-N 3Å; I10-E12 VanDerWaalsContact C-N 3.33Å; E12-H14 VanDerWaalsContact C-N 3.32Å; E12-H14 PolarHBondContact O-N 2.98Å; E12-R15 PolarHBondContact O-N 3.34Å; E12-N25 PolarHBondContact OE2-ND2 2.99Å
13L90.7Very high90.5Very high9 Ų967.9 Ų67.95%0.04734%0.34CS..Hα-helixtrans-62.8-38.7179.7-167.162.3000112.5I9 I10 R15 M16 P22 Y79 D82 R83I9-L13 WeakPolarHBondContact O-CB 3.35Å; I9-L13 PolarHBondContact O-N 3.38Å; I9-L13 VanDerWaalsContact O-N 3.15Å; I10-L13 PolarHBondContact O-N 3.23Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.94Å; L13-M16 WeakPolarHBondContact O-CB 3.37Å; L13-M16 PolarHBondContact O-N 3.35Å; L13-P22 HydrophobicContact CD1-CG 3.76Å; L13-Y79 HydrophobicContact CB-CD2 4.34Å; L13-Y79 HydrophobicContact CD2-CD2 3.83Å; L13-Y79 HydrophobicContact CD2-CE2 4.43Å; L13-Y79 HydrophobicContact CD2-CG 4.43Å; L13-D82 HydrophobicContact CD2-CB 3.68Å; L13-D82 VanDerWaalsContact CD2-OD2 3.25Å; L13-D82 WeakPolarHBondContact CD2-OD2 3.35Å; L13-D82 WeakPolarHBondContact CG-OD2 3.34Å; L13-R83 HydrophobicContact CD1-CG 4.19Å
14H91.3Very high90.6Very high162 Ų16269.8 Ų69.875%0.7535%0.348SS*.Hα-helixtrans-66.7-27.9177.6-176.563.1000113.6I10 R11 E12 M16I10-H14 WeakPolarHBondContact O-CB 3.17Å; I10-H14 PolarHBondContact O-N 3.29Å; R11-H14 PolarHBondContact O-N 3.3Å; E12-H14 VanDerWaalsContact C-N 3.32Å; E12-H14 PolarHBondContact O-N 2.98Å; H14-M16 PolarHBondContact O-N 2.82Å
15R91.6Very high90.6Very high195 Ų19567.1 Ų67.174%0.73634%0.336SS*.Hα-helixtrans-73-17.3176.2-72.2166.7-176.6174.41.3112.7R11 E12 L13R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.38Å; R11-R15 PolarHBondContact O-N 3.45Å; R11-R15 VanDerWaalsContact O-N 3.15Å; E12-R15 PolarHBondContact O-N 3.34Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.94Å
16M87.8Confident90.6Very high64 Ų6470.5 Ų70.532%0.31535%0.353SS..SBendtrans-78.1132.2179.3-61.1-65.691.800110.5L13 H14 P22L13-M16 WeakPolarHBondContact O-CB 3.37Å; L13-M16 PolarHBondContact O-N 3.35Å; H14-M16 PolarHBondContact O-N 2.82Å; M16-P22 HydrophobicContact CG-CB 4Å; M16-P22 HydrophobicContact CG-CG 3.98Å; M16-P22 HydrophobicContact SD-CB 4.11Å
17G78.8Confident90.6Very high36 Ų3674.9 Ų74.937%0.37138%0.377SS..PPolyproline II helixtrans-61.4163.7176.500000112.7G19 Q20 R86G17-G19 PolarHBondContact O-N 3.47Å; G17-Q20 PolarHBondContact O-N 3.02Å; G17-R86 PolarHBondContact O-NH1 3.46Å
18D69.8Low90.6Very high165 Ų16572.9 Ų72.988%0.88237%0.366SS*.THydrogen-bonded Turntrans-57.1136.7177.2-71.4-23.8000111.1Q20D18-Q20 PolarHBondContact O-N 2.91Å; D18-Q20 VanDerWaalsContact O-N 3.17Å
19G68.3Low90.7Very high31 Ų3169.1 Ų69.132%0.3235%0.349SS..THydrogen-bonded Turntrans76.5-10.1178.500000115.9G17G17-G19 PolarHBondContact O-N 3.47Å
20Q85.6Confident90.8Very high118 Ų11873.8 Ų73.855%0.55137%0.366SS*.  trans-81127.9176-66.5-172.5-10.200111.3G17 D18 P22 R86G17-Q20 PolarHBondContact O-N 3.02Å; D18-Q20 PolarHBondContact O-N 2.91Å; D18-Q20 VanDerWaalsContact O-N 3.17Å; Q20-P22 WeakPolarHBondContact O-CD 3.46Å; Q20-R86 WeakPolarHBondContact O-CD 3.11Å; Q20-R86 PolarHBondContact O-NH1 3.22Å
21L92.3Very high90.9Very high16 Ų1675.4 Ų75.48%0.08437%0.373CS..  trans-98.4105.9174.1-174.966.8000109.8R83 R86 I87 L90 I102 H105 M106L21-R83 HydrophobicContact CD1-CB 4.49Å; L21-R86 HydrophobicContact CD1-CB 4.26Å; L21-I87 HydrophobicContact CD1-CD1 4.37Å; L21-I87 HydrophobicContact CD1-CG1 3.95Å; L21-I87 HydrophobicContact CD2-CD1 4.44Å; L21-I87 HydrophobicContact CD2-CG1 3.79Å; L21-L90 HydrophobicContact CB-CD1 4.28Å; L21-L90 HydrophobicContact CD2-CD1 3.96Å; L21-I102 HydrophobicContact CD2-CG2 4.29Å; L21-H105 PolarHBondContact O-ND1 2.86Å; L21-H105 VanDerWaalsContact O-ND1 3.17Å; L21-M106 HydrophobicContact CD2-CG 3.6Å; L21-M106 HydrophobicContact CD2-SD 4.36Å
22P93.4Very high91.1Very high17 Ų1768.7 Ų68.711%0.1135%0.348CS..PPolyproline II helixtrans-69.1165.7174.730.1-35.3000111.1L13 M16 Q20 R83L13-P22 HydrophobicContact CD1-CG 3.76Å; M16-P22 HydrophobicContact CG-CB 4Å; M16-P22 HydrophobicContact CG-CG 3.98Å; M16-P22 HydrophobicContact SD-CB 4.11Å; Q20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-R83 PolarHBondContact O-NH1 3.39Å
23A95.3Very high91.4Very high55 Ų5569.6 Ų69.646%0.45535%0.354SS..PPolyproline II helixtrans-57.4145.517100000111.3N25 R83A23-N25 PolarHBondContact O-N 3.35Å; A23-R83 PolarHBondContact O-NH1 3.27Å
24F97Very high91.7Very high48 Ų4874.7 Ų74.721%0.21138%0.378CS..PPolyproline II helixtrans-68.4117.1176.9-172-91.6000110.6E26 I29 Y79 L80 H105 C107F24-E26 VanDerWaalsContact C-N 3.32Å; F24-E26 HydrophobicContact CD1-CB 4.01Å; F24-E26 HydrophobicContact CE1-CB 4.16Å; F24-E26 HydrophobicContact CE1-CG 4.36Å; F24-E26 PolarHBondContact O-N 3.45Å; F24-I29 HydrophobicContact CE1-CD1 3.84Å; F24-I29 HydrophobicContact CE2-CD1 4.11Å; F24-I29 HydrophobicContact CZ-CD1 3.42Å; F24-I29 VanDerWaalsContact CZ-CD1 3.42Å; F24-Y79 HydrophobicContact CE2-CE1 4.32Å; F24-L80 HydrophobicContact CE2-CD2 3.89Å; F24-L80 HydrophobicContact CZ-CD2 4.16Å; F24-H105 PolarHBondContact N-O 3.46Å; F24-H105 VanDerWaalsContact N-O 3.08Å; F24-C107 HydrophobicContact CB-CB 4.33Å; F24-C107 HydrophobicContact CD1-CB 3.95Å; F24-C107 HydrophobicContact CD2-CB 3.94Å; F24-C107 HydrophobicContact CE1-CB 4.2Å; F24-C107 HydrophobicContact CE2-CB 4.21Å; F24-C107 HydrophobicContact CG-CB 3.81Å; F24-C107 HydrophobicContact CZ-CB 4.32Å
25N96.5Very high92.1Very high34 Ų3469 Ų6918%0.18235%0.351CS..  trans-80.773.2-179.5-164.4-19.4000112E12 A23 G28 I29 Y79E12-N25 PolarHBondContact OE2-ND2 2.99Å; A23-N25 PolarHBondContact O-N 3.35Å; N25-G28 PolarHBondContact O-N 3.47Å; N25-G28 WeakPolarHBondContact OD1-CA 3.38Å; N25-G28 PolarHBondContact OD1-N 2.93Å; N25-I29 PolarHBondContact O-N 3.49Å; N25-I29 VanDerWaalsContact O-N 3.17Å; N25-Y79 PolarHBondContact N-OH 3.48Å
26E96.6Very high92.4Very high116 Ų11661.5 Ų61.554%0.54233%0.325SS..Hα-helixtrans-62.4-43-179.8-162.4-171.1145.300111.9F24 G28 I29 R30F24-E26 VanDerWaalsContact C-N 3.32Å; F24-E26 HydrophobicContact CD1-CB 4.01Å; F24-E26 HydrophobicContact CE1-CB 4.16Å; F24-E26 HydrophobicContact CE1-CG 4.36Å; F24-E26 PolarHBondContact O-N 3.45Å; E26-G28 PolarHBondContact O-N 3.08Å; E26-I29 PolarHBondContact O-N 2.85Å; E26-R30 VanDerWaalsContact CD-NH2 3.3Å; E26-R30 WeakPolarHBondContact O-CB 3.45Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 IonicContact OE1-CZ 3.89Å; E26-R30 IonicContact OE1-NH2 2.67Å; E26-R30 PolarHBondContact OE1-NH2 3.45Å
27D97.1Very high92.9Very high93 Ų9364.8 Ų64.850%0.49734%0.338SS..Hα-helixtrans-63.5-41.7-179.9-66.7-28.2000112R30 Q31D27-R30 PolarHBondContact O-N 3.22Å; D27-R30 IonicContact OD1-CZ 3.73Å; D27-R30 IonicContact OD1-NH1 3.57Å; D27-R30 PolarHBondContact OD1-NH1 3.48Å; D27-R30 IonicContact OD1-NH2 2.82Å; D27-Q31 VanDerWaalsContact O-CG 3.31Å; D27-Q31 WeakPolarHBondContact O-CG 3.13Å; D27-Q31 PolarHBondContact O-N 3.39Å
28G96.9Very high93.8Very high0 Ų065.1 Ų65.10%034%0.337CS..Hα-helixtrans-63.7-44176.600000112.3N25 E26 V32N25-G28 PolarHBondContact O-N 3.47Å; N25-G28 WeakPolarHBondContact OD1-CA 3.38Å; N25-G28 PolarHBondContact OD1-N 2.93Å; E26-G28 PolarHBondContact O-N 3.08Å; G28-V32 WeakPolarHBondContact O-CG2 3.5Å; G28-V32 PolarHBondContact O-N 3.27Å; G28-V32 VanDerWaalsContact O-N 3.16Å
29I97.6Very high95.2Very high21 Ų2157.4 Ų57.411%0.10830%0.296CS..Hα-helixtrans-62.2-46.3174.4-71.2170000110.5F24 N25 E26 Q31 V32 L33 Y79 L80F24-I29 HydrophobicContact CE1-CD1 3.84Å; F24-I29 HydrophobicContact CE2-CD1 4.11Å; F24-I29 HydrophobicContact CZ-CD1 3.42Å; F24-I29 VanDerWaalsContact CZ-CD1 3.42Å; N25-I29 PolarHBondContact O-N 3.49Å; N25-I29 VanDerWaalsContact O-N 3.17Å; E26-I29 PolarHBondContact O-N 2.85Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; I29-Q31 PolarHBondContact O-N 3.2Å; I29-V32 PolarHBondContact O-N 3.47Å; I29-L33 HydrophobicContact CG2-CD1 3.78Å; I29-L33 HydrophobicContact CG2-CG 4.16Å; I29-L33 WeakPolarHBondContact O-CG 3.31Å; I29-L33 PolarHBondContact O-N 3.23Å; I29-Y79 HydrophobicContact CD1-CD1 4.01Å; I29-Y79 HydrophobicContact CD1-CE1 3.68Å; I29-Y79 HydrophobicContact CG1-CD1 4.48Å; I29-Y79 HydrophobicContact CG1-CE1 4.36Å; I29-L80 HydrophobicContact CD1-CD2 4.06Å
30R98.1Very high96.6Very high99 Ų9962.1 Ų62.137%0.37431%0.305SS..Hα-helixtrans-57.3-47.2-179.7-165.9-177.3-52.9112.83.4111.6E26 D27 V32 L33 E34E26-R30 VanDerWaalsContact CD-NH2 3.3Å; E26-R30 WeakPolarHBondContact O-CB 3.45Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 IonicContact OE1-CZ 3.89Å; E26-R30 IonicContact OE1-NH2 2.67Å; E26-R30 PolarHBondContact OE1-NH2 3.45Å; D27-R30 PolarHBondContact O-N 3.22Å; D27-R30 IonicContact OD1-CZ 3.73Å; D27-R30 IonicContact OD1-NH1 3.57Å; D27-R30 PolarHBondContact OD1-NH1 3.48Å; D27-R30 IonicContact OD1-NH2 2.82Å; R30-V32 VanDerWaalsContact C-N 3.35Å; R30-V32 PolarHBondContact O-N 3.48Å; R30-L33 PolarHBondContact O-N 3.15Å; R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 3.14Å
31Q98.1Very high97.2Very high90 Ų9061.4 Ų61.442%0.42130%0.301SS..Hα-helixtrans-61.2-40.3177.7-73173.821.500112.6K5 D27 I29 E34 E35K5-Q31 HydrophobicContact CG-CB 3.95Å; D27-Q31 VanDerWaalsContact O-CG 3.31Å; D27-Q31 WeakPolarHBondContact O-CG 3.13Å; D27-Q31 PolarHBondContact O-N 3.39Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; I29-Q31 PolarHBondContact O-N 3.2Å; Q31-E34 PolarHBondContact O-N 2.99Å; Q31-E35 PolarHBondContact O-N 3.37Å
32V98.3Very high97.4Very high0 Ų065 Ų650%032%0.318CS..Hα-helixtrans-66.9-40.2175.8179.40000111K5 A6 G28 I29 R30 E35 M36 N72 I76K5-V32 HydrophobicContact CB-CG2 3.83Å; K5-V32 HydrophobicContact CG-CG2 3.85Å; A6-V32 HydrophobicContact CB-CG1 4.02Å; A6-V32 HydrophobicContact CB-CG2 3.91Å; G28-V32 WeakPolarHBondContact O-CG2 3.5Å; G28-V32 PolarHBondContact O-N 3.27Å; G28-V32 VanDerWaalsContact O-N 3.16Å; I29-V32 PolarHBondContact O-N 3.47Å; R30-V32 VanDerWaalsContact C-N 3.35Å; R30-V32 PolarHBondContact O-N 3.48Å; V32-E35 PolarHBondContact O-N 2.87Å; V32-M36 HydrophobicContact CG1-CG 4.45Å; V32-M36 HydrophobicContact CG1-SD 4.3Å; V32-M36 VanDerWaalsContact O-CG 3.28Å; V32-M36 WeakPolarHBondContact O-CG 3.26Å; V32-M36 PolarHBondContact O-N 3.27Å; V32-N72 HydrophobicContact CG1-CB 3.75Å; V32-I76 HydrophobicContact CB-CD1 4Å; V32-I76 HydrophobicContact CB-CG1 4.4Å; V32-I76 HydrophobicContact CG1-CD1 3.42Å; V32-I76 VanDerWaalsContact CG1-CD1 3.42Å; V32-I76 HydrophobicContact CG1-CG1 3.92Å
33L98.4Very high97.6Very high92 Ų9265 Ų6548%0.48232%0.317SS..Hα-helixtrans-66.1-37.7177.3-68.4176000112.2I29 R30 M36 K37 I76I29-L33 HydrophobicContact CG2-CD1 3.78Å; I29-L33 HydrophobicContact CG2-CG 4.16Å; I29-L33 WeakPolarHBondContact O-CG 3.31Å; I29-L33 PolarHBondContact O-N 3.23Å; R30-L33 PolarHBondContact O-N 3.15Å; L33-M36 HydrophobicContact CD2-SD 4.36Å; L33-M36 PolarHBondContact O-N 3.03Å; L33-K37 WeakPolarHBondContact O-CB 3.18Å; L33-K37 PolarHBondContact O-N 3.1Å; L33-I76 HydrophobicContact CD2-CD1 3.92Å; L33-I76 HydrophobicContact CG-CD1 4.38Å
34E98.3Very high97.7Very high116 Ų11666.8 Ų66.854%0.54232%0.316SS..Hα-helixtrans-62.8-45.2172.6-73.7170.1-177.900111.5R30 Q31 M36 K37 A38R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 3.14Å; Q31-E34 PolarHBondContact O-N 2.99Å; E34-M36 VanDerWaalsContact C-N 3.34Å; E34-M36 PolarHBondContact O-N 2.88Å; E34-K37 PolarHBondContact O-N 3.5Å; E34-A38 PolarHBondContact O-N 3.39Å
35E97.9Very high97.7Very high42 Ų4267.2 Ų67.220%0.19633%0.325CS..Hα-helixtrans-59.2-44.9173.2-174.6-172148.800111.2F2 C3 Q31 V32 K37 A38 L39 N72F2-E35 WeakPolarHBondContact CA-OE1 3.3Å; C3-E35 PolarHBondContact N-OE1 3.25Å; Q31-E35 PolarHBondContact O-N 3.37Å; V32-E35 PolarHBondContact O-N 2.87Å; E35-K37 VanDerWaalsContact C-N 3.34Å; E35-K37 PolarHBondContact O-N 3.46Å; E35-A38 PolarHBondContact O-N 3.32Å; E35-L39 HydrophobicContact CG-CD1 4.13Å; E35-L39 HydrophobicContact CG-CG 4.49Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 WeakPolarHBondContact O-CG 3.44Å; E35-L39 PolarHBondContact O-N 2.98Å; E35-N72 PolarHBondContact OE1-ND2 3.06Å
36M98.4Very high97.7Very high39 Ų3966.8 Ų66.819%0.19232%0.323CS..Hα-helixtrans-61.8-41.5177.7-73.4179.472.600112.1V32 L33 E34 Y40 L69 N72 Q73 I76V32-M36 HydrophobicContact CG1-CG 4.45Å; V32-M36 HydrophobicContact CG1-SD 4.3Å; V32-M36 VanDerWaalsContact O-CG 3.28Å; V32-M36 WeakPolarHBondContact O-CG 3.26Å; V32-M36 PolarHBondContact O-N 3.27Å; L33-M36 HydrophobicContact CD2-SD 4.36Å; L33-M36 PolarHBondContact O-N 3.03Å; E34-M36 VanDerWaalsContact C-N 3.34Å; E34-M36 PolarHBondContact O-N 2.88Å; M36-Y40 VanDerWaalsContact O-CB 3.25Å; M36-Y40 WeakPolarHBondContact O-CB 2.95Å; M36-Y40 PolarHBondContact O-N 3.15Å; M36-L69 HydrophobicContact CB-CD2 3.84Å; M36-L69 HydrophobicContact CG-CD2 4.03Å; M36-L69 VanDerWaalsContact O-CD2 3.23Å; M36-L69 WeakPolarHBondContact O-CD2 3.45Å; M36-N72 HydrophobicContact CG-CB 3.6Å; M36-N72 HydrophobicContact SD-CB 3.66Å; M36-Q73 HydrophobicContact CE-CB 4.12Å; M36-I76 HydrophobicContact SD-CD1 3.87Å
37K98.5Very high97.7Very high133 Ų13364.2 Ų64.258%0.57832%0.315SS*.Hα-helixtrans-63.8-48.3177.3-176.7177.3174.5-177.30111.3L33 E34 E35 L39 Y40 E41L33-K37 WeakPolarHBondContact O-CB 3.18Å; L33-K37 PolarHBondContact O-N 3.1Å; E34-K37 PolarHBondContact O-N 3.5Å; E35-K37 VanDerWaalsContact C-N 3.34Å; E35-K37 PolarHBondContact O-N 3.46Å; K37-L39 PolarHBondContact O-N 2.9Å; K37-Y40 WeakPolarHBondContact O-CB 3.4Å; K37-Y40 PolarHBondContact O-N 3.28Å; K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 WeakPolarHBondContact O-CG 3.34Å; K37-E41 PolarHBondContact O-N 3.22Å
38A98.2Very high97.6Very high42 Ų4264.2 Ų64.235%0.34731%0.314SS..Hα-helixtrans-61.2-44.5178.600000112E34 E35 Y40 E41 Q42E34-A38 PolarHBondContact O-N 3.39Å; E35-A38 PolarHBondContact O-N 3.32Å; A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.08Å; A38-E41 PolarHBondContact O-N 2.99Å; A38-Q42 WeakPolarHBondContact O-CB 3.35Å; A38-Q42 VanDerWaalsContact O-CG 3.29Å; A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 2.88Å; A38-Q42 VanDerWaalsContact O-N 3.08Å
39L97.9Very high97.5Very high3 Ų367.1 Ų67.12%0.01633%0.328CS..Hα-helixtrans-61.6-42.1175.4-80.7177.5000111.9F2 E35 K37 N43 R65 C68 L69F2-L39 HydrophobicContact CD1-CD1 4Å; F2-L39 HydrophobicContact CD1-CD2 3.91Å; F2-L39 HydrophobicContact CD1-CG 4.26Å; F2-L39 HydrophobicContact CE1-CD1 4.37Å; F2-L39 HydrophobicContact CE1-CD2 3.45Å; F2-L39 VanDerWaalsContact CE1-CD2 3.45Å; F2-L39 HydrophobicContact CE1-CG 4.12Å; F2-L39 HydrophobicContact CE2-CD2 4.12Å; F2-L39 HydrophobicContact CG-CD1 4.39Å; F2-L39 HydrophobicContact CG-CD2 4.45Å; F2-L39 HydrophobicContact CZ-CD2 3.57Å; E35-L39 HydrophobicContact CG-CD1 4.13Å; E35-L39 HydrophobicContact CG-CG 4.49Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 WeakPolarHBondContact O-CG 3.44Å; E35-L39 PolarHBondContact O-N 2.98Å; K37-L39 PolarHBondContact O-N 2.9Å; L39-N43 WeakPolarHBondContact O-CB 3.41Å; L39-N43 PolarHBondContact O-N 3.17Å; L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 3.92Å; L39-C68 HydrophobicContact CD1-CB 3.96Å; L39-L69 HydrophobicContact CB-CD2 3.78Å; L39-L69 HydrophobicContact CB-CG 4.17Å; L39-L69 HydrophobicContact CD1-CD2 4.36Å
40Y98.3Very high97.4Very high131 Ų13167 Ų6751%0.51433%0.33SS..Hα-helixtrans-62.4-49178.5175-94.7000111.8M36 K37 A38 N43 Q44M36-Y40 VanDerWaalsContact O-CB 3.25Å; M36-Y40 WeakPolarHBondContact O-CB 2.95Å; M36-Y40 PolarHBondContact O-N 3.15Å; K37-Y40 WeakPolarHBondContact O-CB 3.4Å; K37-Y40 PolarHBondContact O-N 3.28Å; A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.08Å; Y40-N43 PolarHBondContact O-N 3.4Å; Y40-Q44 WeakPolarHBondContact O-CB 3.44Å; Y40-Q44 PolarHBondContact O-N 3.45Å
41E98.3Very high97.1Very high102 Ų10271 Ų7148%0.47735%0.35SS..Hα-helixtrans-62.2-46.1-179.5-71170.7178.400111.7K37 A38 N43 Q44 S45K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 WeakPolarHBondContact O-CG 3.34Å; K37-E41 PolarHBondContact O-N 3.22Å; A38-E41 PolarHBondContact O-N 2.99Å; E41-N43 VanDerWaalsContact C-N 3.33Å; E41-N43 PolarHBondContact O-N 3.33Å; E41-Q44 PolarHBondContact O-N 3.39Å; E41-S45 PolarHBondContact O-N 2.94Å
42Q97.3Very high96.9Very high93 Ų9371.2 Ų71.244%0.43536%0.361SS..Hα-helixtrans-61.7-42.3174.9-69.9174.311.800111.7A38 Q44 S45 D46 R65A38-Q42 WeakPolarHBondContact O-CB 3.35Å; A38-Q42 VanDerWaalsContact O-CG 3.29Å; A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 2.88Å; A38-Q42 VanDerWaalsContact O-N 3.08Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.18Å; Q42-S45 PolarHBondContact O-N 3.25Å; Q42-D46 PolarHBondContact O-N 3.06Å; Q42-R65 PolarHBondContact O-NH1 3.4Å
43N96.9Very high96.5Very high16 Ų1677 Ų779%0.08639%0.388CS..Hα-helixtrans-66.7-37.4179.7-155.930.3000111.8L39 Y40 E41 D46 V47 I62 R65L39-N43 WeakPolarHBondContact O-CB 3.41Å; L39-N43 PolarHBondContact O-N 3.17Å; Y40-N43 PolarHBondContact O-N 3.4Å; E41-N43 VanDerWaalsContact C-N 3.33Å; E41-N43 PolarHBondContact O-N 3.33Å; N43-D46 PolarHBondContact O-N 3.35Å; N43-V47 WeakPolarHBondContact O-CB 3.1Å; N43-V47 WeakPolarHBondContact O-CG2 3.27Å; N43-V47 PolarHBondContact O-N 3.48Å; N43-I62 PolarHBondContact ND2-O 2.91Å; N43-I62 WeakPolarHBondContact OD1-CA 3.27Å; N43-I62 WeakPolarHBondContact OD1-CB 3.45Å; N43-I62 WeakPolarHBondContact OD1-CG2 3.48Å; N43-I62 PolarHBondContact OD1-O 3.33Å; N43-R65 HydrophobicContact CB-CB 4.27Å
44Q97.3Very high96.1Very high92 Ų9275 Ų7543%0.4339%0.39SS..Hα-helixtrans-66-39.7176.7-171.1175.512.700111.9Y40 E41 Q42 V47 N48Y40-Q44 WeakPolarHBondContact O-CB 3.44Å; Y40-Q44 PolarHBondContact O-N 3.45Å; E41-Q44 PolarHBondContact O-N 3.39Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.18Å; Q44-V47 PolarHBondContact O-N 3.44Å; Q44-N48 VanDerWaalsContact O-CG 3.26Å; Q44-N48 PolarHBondContact O-N 3.1Å; Q44-N48 VanDerWaalsContact O-N 3.08Å; Q44-N48 PolarHBondContact O-ND2 2.87Å
45S96.9Very high95.8Very high58 Ų5872.4 Ų72.441%0.40638%0.377SS..Hα-helixtrans-58.3-52.5174-166.20000111.4E41 Q42 V47 N48 E49E41-S45 PolarHBondContact O-N 2.94Å; Q42-S45 PolarHBondContact O-N 3.25Å; S45-V47 VanDerWaalsContact C-N 3.32Å; S45-V47 PolarHBondContact O-N 3.46Å; S45-N48 WeakPolarHBondContact O-CB 3.33Å; S45-N48 PolarHBondContact O-N 3Å; S45-N48 VanDerWaalsContact O-N 3.1Å; S45-E49 PolarHBondContact O-N 3.45Å
46D96.5Very high95.4Very high25 Ų2574.4 Ų74.413%0.13440%0.396CS..Hα-helixtrans-66.3-34.1-177.7-68.810.3000112.3Q42 N43 N48 E49 A50 L58 I62 R65Q42-D46 PolarHBondContact O-N 3.06Å; N43-D46 PolarHBondContact O-N 3.35Å; D46-N48 VanDerWaalsContact C-N 3.33Å; D46-E49 PolarHBondContact O-N 3.3Å; D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.5Å; D46-A50 PolarHBondContact O-N 3.47Å; D46-L58 HydrophobicContact CB-CD1 4.19Å; D46-I62 HydrophobicContact CB-CD1 4.11Å; D46-I62 HydrophobicContact CB-CG1 3.9Å; D46-R65 VanDerWaalsContact CG-NH1 3.32Å; D46-R65 IonicContact OD1-NH1 2.73Å; D46-R65 IonicContact OD2-CZ 3.5Å; D46-R65 IonicContact OD2-NH1 3.73Å; D46-R65 PolarHBondContact OD2-NH1 2.93Å; D46-R65 IonicContact OD2-NH2 3.56Å
47V96.5Very high95.3Very high62 Ų6278.6 Ų78.638%0.37642%0.415SS..Hα-helixtrans-63-41.1173.41660000111.1N43 Q44 S45 K51 I62N43-V47 WeakPolarHBondContact O-CB 3.1Å; N43-V47 WeakPolarHBondContact O-CG2 3.27Å; N43-V47 PolarHBondContact O-N 3.48Å; Q44-V47 PolarHBondContact O-N 3.44Å; S45-V47 VanDerWaalsContact C-N 3.32Å; S45-V47 PolarHBondContact O-N 3.46Å; V47-K51 WeakPolarHBondContact O-CB 3.17Å; V47-K51 PolarHBondContact O-N 2.94Å; V47-K51 VanDerWaalsContact O-N 3.15Å; V47-I62 HydrophobicContact CG2-CD1 3.85Å; V47-I62 HydrophobicContact CG2-CG1 4.12Å; V47-I62 HydrophobicContact CG2-CG2 3.72Å
48N95.6Very high95.1Very high92 Ų9273.8 Ų73.849%0.49240%0.395SS..Hα-helixtrans-65.3-47.4177.4-70-26.4000110.7Q44 S45 D46 A50 K51 S52Q44-N48 VanDerWaalsContact O-CG 3.26Å; Q44-N48 PolarHBondContact O-N 3.1Å; Q44-N48 VanDerWaalsContact O-N 3.08Å; Q44-N48 PolarHBondContact O-ND2 2.87Å; S45-N48 WeakPolarHBondContact O-CB 3.33Å; S45-N48 PolarHBondContact O-N 3Å; S45-N48 VanDerWaalsContact O-N 3.1Å; D46-N48 VanDerWaalsContact C-N 3.33Å; N48-A50 PolarHBondContact O-N 2.93Å; N48-K51 PolarHBondContact O-N 3.49Å; N48-K51 VanDerWaalsContact O-N 3.14Å; N48-S52 PolarHBondContact O-N 3.26Å; N48-S52 PolarHBondContact O-OG 3.35Å
49E94.8Very high94.9Very high62 Ų6275.2 Ų75.229%0.2940%0.397SS..Hα-helixtrans-60.7-44.9176.9-73.5-170.7-149.100112.5S45 D46 K51 S52 E53 K55 L58S45-E49 PolarHBondContact O-N 3.45Å; D46-E49 PolarHBondContact O-N 3.3Å; E49-K51 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-N 3.01Å; E49-E53 WeakPolarHBondContact O-CB 3.49Å; E49-E53 PolarHBondContact O-N 3.25Å; E49-K55 HydrophobicContact CB-CD 4.42Å; E49-K55 IonicContact OE2-NZ 2.64Å; E49-K55 PolarHBondContact OE2-NZ 3.35Å; E49-L58 HydrophobicContact CB-CD1 4.12Å
50A94.5Very high94.9Very high17 Ų1779.3 Ų79.314%0.1442%0.423CS..Hα-helixtrans-59.2-33.517700000112D46 N48 G54 I62D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.5Å; D46-A50 PolarHBondContact O-N 3.47Å; N48-A50 PolarHBondContact O-N 2.93Å; A50-G54 WeakPolarHBondContact O-CA 3.33Å; A50-G54 PolarHBondContact O-N 2.99Å; A50-I62 HydrophobicContact CB-CD1 4.28Å
51K93.1Very high94.8Very high184 Ų18475.8 Ų75.880%0.842%0.415SS*.Hα-helixtrans-82.2-40.2-179.4-163.4-177.4-176.4-175.10113.2V47 N48 E49V47-K51 WeakPolarHBondContact O-CB 3.17Å; V47-K51 PolarHBondContact O-N 2.94Å; V47-K51 VanDerWaalsContact O-N 3.15Å; N48-K51 PolarHBondContact O-N 3.49Å; N48-K51 VanDerWaalsContact O-N 3.14Å; E49-K51 PolarHBondContact O-N 2.84Å
52S93.4Very high94.8Very high94 Ų9471.9 Ų71.966%0.65740%0.398SS*.Hα-helixtrans-83.2-39.5-177.156.40000113N48 E49N48-S52 PolarHBondContact O-N 3.26Å; N48-S52 PolarHBondContact O-OG 3.35Å; E49-S52 PolarHBondContact O-N 3.01Å
53E90Very high94.8Very high122 Ų12274.1 Ų74.157%0.5741%0.406SS*.SBendtrans-105.6-3.3-172.9-61.5177.8-167.200112.7E49 K55E49-E53 WeakPolarHBondContact O-CB 3.49Å; E49-E53 PolarHBondContact O-N 3.25Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 HydrophobicContact CB-CD 4.43Å; E53-K55 HydrophobicContact CB-CG 4.13Å; E53-K55 PolarHBondContact O-N 3.4Å; E53-K55 WeakPolarHBondContact OE2-CE 3.34Å; E53-K55 IonicContact OE2-NZ 3.84Å; E53-K55 PolarHBondContact OE2-NZ 2.89Å
54G89.8Confident94.8Very high50 Ų5079 Ų7952%0.51543%0.427SS..  trans72.915.9178.100000114.6A50 S56A50-G54 WeakPolarHBondContact O-CA 3.33Å; A50-G54 PolarHBondContact O-N 2.99Å; G54-S56 VanDerWaalsContact C-N 3.27Å; G54-S56 PolarHBondContact O-N 3.33Å; G54-S56 PolarHBondContact O-OG 3.46Å
55K90.9Very high94.8Very high61 Ų6176.6 Ų76.627%0.26541%0.413SS..  trans-67.972.6-179.6-71-178.9173.4153.70113.3E49 E53 E57 L58E49-K55 HydrophobicContact CB-CD 4.42Å; E49-K55 IonicContact OE2-NZ 2.64Å; E49-K55 PolarHBondContact OE2-NZ 3.35Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 HydrophobicContact CB-CD 4.43Å; E53-K55 HydrophobicContact CB-CG 4.13Å; E53-K55 PolarHBondContact O-N 3.4Å; E53-K55 WeakPolarHBondContact OE2-CE 3.34Å; E53-K55 IonicContact OE2-NZ 3.84Å; E53-K55 PolarHBondContact OE2-NZ 2.89Å; K55-E57 VanDerWaalsContact CA-OE2 3.25Å; K55-E57 WeakPolarHBondContact CA-OE2 3.48Å; K55-E57 VanDerWaalsContact CB-OE1 3.24Å; K55-E57 WeakPolarHBondContact CB-OE1 3.35Å; K55-E57 VanDerWaalsContact CG-OE1 3.28Å; K55-E57 WeakPolarHBondContact CG-OE1 3.28Å; K55-E57 PolarHBondContact O-N 3.47Å; K55-L58 HydrophobicContact CB-CD1 3.89Å; K55-L58 HydrophobicContact CB-CG 4.17Å; K55-L58 HydrophobicContact CD-CD1 4.08Å; K55-L58 PolarHBondContact O-N 2.89Å
56S91.2Very high94.9Very high85 Ų8578.2 Ų78.259%0.59442%0.415SS*.G310 helixtrans-67.8-17.5-176.8-610000113.6G54 L58 I59G54-S56 VanDerWaalsContact C-N 3.27Å; G54-S56 PolarHBondContact O-N 3.33Å; G54-S56 PolarHBondContact O-OG 3.46Å; S56-L58 PolarHBondContact O-N 3.17Å; S56-I59 WeakPolarHBondContact O-CB 3.23Å; S56-I59 WeakPolarHBondContact O-CG1 3.4Å; S56-I59 PolarHBondContact O-N 3.16Å
57E94.9Very high94.9Very high126 Ų12680.8 Ų80.859%0.58943%0.434SS*.G310 helixtrans-64.7-18.5173.967.6-79.9-17500113.6K55 I59 P60K55-E57 VanDerWaalsContact CA-OE2 3.25Å; K55-E57 WeakPolarHBondContact CA-OE2 3.48Å; K55-E57 VanDerWaalsContact CB-OE1 3.24Å; K55-E57 WeakPolarHBondContact CB-OE1 3.35Å; K55-E57 VanDerWaalsContact CG-OE1 3.28Å; K55-E57 WeakPolarHBondContact CG-OE1 3.28Å; K55-E57 PolarHBondContact O-N 3.47Å; E57-I59 VanDerWaalsContact C-N 3.33Å; E57-P60 VanDerWaalsContact O-CD 3.3Å; E57-P60 WeakPolarHBondContact O-CD 3.37Å
58L95.1Very high95Very high33 Ų3378.5 Ų78.517%0.17342%0.42CS..G310 helixtrans-78.8-16.5176.4-62.8176.9000112.9D46 E49 K55 S56 T61 I62D46-L58 HydrophobicContact CB-CD1 4.19Å; E49-L58 HydrophobicContact CB-CD1 4.12Å; K55-L58 HydrophobicContact CB-CD1 3.89Å; K55-L58 HydrophobicContact CB-CG 4.17Å; K55-L58 HydrophobicContact CD-CD1 4.08Å; K55-L58 PolarHBondContact O-N 2.89Å; S56-L58 PolarHBondContact O-N 3.17Å; L58-T61 WeakPolarHBondContact O-CB 3.49Å; L58-T61 PolarHBondContact O-N 3.34Å; L58-T61 VanDerWaalsContact O-N 3.09Å; L58-I62 HydrophobicContact CB-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 2.88Å
59I94.8Very high95.2Very high72 Ų7275.1 Ų75.137%0.36940%0.402SS..Hα-helixtrans-56-42.9-175.2-62.3-65.1000113.4S56 E57 I62 K63S56-I59 WeakPolarHBondContact O-CB 3.23Å; S56-I59 WeakPolarHBondContact O-CG1 3.4Å; S56-I59 PolarHBondContact O-N 3.16Å; E57-I59 VanDerWaalsContact C-N 3.33Å; I59-I62 HydrophobicContact CD1-CD1 4.38Å; I59-I62 PolarHBondContact O-N 3.18Å; I59-K63 HydrophobicContact CG2-CD 4.24Å; I59-K63 WeakPolarHBondContact O-CG 3.25Å; I59-K63 PolarHBondContact O-N 2.92Å
60P96.9Very high95.3Very high88 Ų8876 Ų7657%0.57141%0.408SS*.Hα-helixtrans-61.1-43.8175-23.735.9000113E57 I62 K63 F64E57-P60 VanDerWaalsContact O-CD 3.3Å; E57-P60 WeakPolarHBondContact O-CD 3.37Å; P60-I62 VanDerWaalsContact C-N 3.33Å; P60-I62 PolarHBondContact O-N 3.41Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-F64 WeakPolarHBondContact O-CB 3.27Å; P60-F64 PolarHBondContact O-N 2.9Å
61T96.4Very high95.5Very high57 Ų5781.2 Ų81.235%0.3542%0.424SS..Hα-helixtrans-62-42.7177-56.30000111.1L58 F64 R65L58-T61 WeakPolarHBondContact O-CB 3.49Å; L58-T61 PolarHBondContact O-N 3.34Å; L58-T61 VanDerWaalsContact O-N 3.09Å; T61-F64 PolarHBondContact O-N 2.77Å; T61-R65 PolarHBondContact O-N 3.44Å
62I97.1Very high95.8Very high21 Ų2172.5 Ų72.511%0.10839%0.386CS..Hα-helixtrans-61.2-47.4178-70162.7000111.2N43 D46 V47 A50 L58 I59 P60 F64 R65 H66N43-I62 PolarHBondContact ND2-O 2.91Å; N43-I62 WeakPolarHBondContact OD1-CA 3.27Å; N43-I62 WeakPolarHBondContact OD1-CB 3.45Å; N43-I62 WeakPolarHBondContact OD1-CG2 3.48Å; N43-I62 PolarHBondContact OD1-O 3.33Å; D46-I62 HydrophobicContact CB-CD1 4.11Å; D46-I62 HydrophobicContact CB-CG1 3.9Å; V47-I62 HydrophobicContact CG2-CD1 3.85Å; V47-I62 HydrophobicContact CG2-CG1 4.12Å; V47-I62 HydrophobicContact CG2-CG2 3.72Å; A50-I62 HydrophobicContact CB-CD1 4.28Å; L58-I62 HydrophobicContact CB-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 2.88Å; I59-I62 HydrophobicContact CD1-CD1 4.38Å; I59-I62 PolarHBondContact O-N 3.18Å; P60-I62 VanDerWaalsContact C-N 3.33Å; P60-I62 PolarHBondContact O-N 3.41Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 2.69Å; I62-R65 PolarHBondContact O-N 3.15Å; I62-H66 WeakPolarHBondContact O-CB 3.36Å; I62-H66 PolarHBondContact O-N 3.17Å
63K97.1Very high96Very high139 Ų13973.4 Ų73.460%0.60438%0.38SS*.Hα-helixtrans-61.7-41.7176.8-75.7179.8175.3-1790111.5I59 P60 H66 C67I59-K63 HydrophobicContact CG2-CD 4.24Å; I59-K63 WeakPolarHBondContact O-CG 3.25Å; I59-K63 PolarHBondContact O-N 2.92Å; P60-K63 PolarHBondContact O-N 3.18Å; K63-H66 PolarHBondContact O-N 3.21Å; K63-C67 PolarHBondContact O-N 3.46Å; K63-C67 PolarHBondContact O-SG 3.43Å; K63-C67 VanDerWaalsContact O-SG 3.35Å
64F97.8Very high96.4Very high120 Ų12076.4 Ų76.453%0.52639%0.386SS..Hα-helixtrans-61.4-49.8178.4-178.5-104.2000112F2 P60 T61 I62 H66 C67 C68F2-F64 HydrophobicContact CD2-CD1 4.39Å; F2-F64 AromaticContact CD2-CE1 3.55Å; F2-F64 HydrophobicContact CD2-CE1 3.55Å; F2-F64 HydrophobicContact CD2-CZ 4.19Å; F2-F64 HydrophobicContact CE2-CD1 4.32Å; F2-F64 AromaticContact CE2-CE1 3.69Å; F2-F64 HydrophobicContact CE2-CE1 3.69Å; P60-F64 WeakPolarHBondContact O-CB 3.27Å; P60-F64 PolarHBondContact O-N 2.9Å; T61-F64 PolarHBondContact O-N 2.77Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 2.69Å; F64-H66 VanDerWaalsContact C-N 3.33Å; F64-H66 PolarHBondContact O-N 3.2Å; F64-C67 PolarHBondContact O-N 3.39Å; F64-C68 PolarHBondContact O-N 3.46Å; F64-C68 VanDerWaalsContact O-N 3.1Å; F64-C68 PolarHBondContact O-SG 3.17Å
65R97.9Very high96.8Very high40 Ų4074.4 Ų74.415%0.15137%0.365CS..Hα-helixtrans-61.7-40.9175.9-68.3-173.8-173.8136.74.9111.8L39 Q42 N43 D46 T61 I62 C67 C68 L69L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 3.92Å; Q42-R65 PolarHBondContact O-NH1 3.4Å; N43-R65 HydrophobicContact CB-CB 4.27Å; D46-R65 VanDerWaalsContact CG-NH1 3.32Å; D46-R65 IonicContact OD1-NH1 2.73Å; D46-R65 IonicContact OD2-CZ 3.5Å; D46-R65 IonicContact OD2-NH1 3.73Å; D46-R65 PolarHBondContact OD2-NH1 2.93Å; D46-R65 IonicContact OD2-NH2 3.56Å; T61-R65 PolarHBondContact O-N 3.44Å; I62-R65 PolarHBondContact O-N 3.15Å; R65-C67 PolarHBondContact O-N 2.91Å; R65-C68 WeakPolarHBondContact O-CB 3.44Å; R65-C68 PolarHBondContact O-N 3.26Å; R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.34Å
66H97.9Very high97.1Very high93 Ų9372.4 Ų72.443%0.43136%0.356SS..Hα-helixtrans-60.1-45.2176.2-177.570.5000112.5I62 K63 F64 C68 L69 L70I62-H66 WeakPolarHBondContact O-CB 3.36Å; I62-H66 PolarHBondContact O-N 3.17Å; K63-H66 PolarHBondContact O-N 3.21Å; F64-H66 VanDerWaalsContact C-N 3.33Å; F64-H66 PolarHBondContact O-N 3.2Å; H66-C68 VanDerWaalsContact C-N 3.3Å; H66-C68 PolarHBondContact O-N 2.98Å; H66-L69 WeakPolarHBondContact O-CB 3.44Å; H66-L69 PolarHBondContact O-N 3.26Å; H66-L70 PolarHBondContact O-N 2.95Å; H66-L70 VanDerWaalsContact O-N 3.1Å
67C98.1Very high97.4Very high79 Ų7971 Ų7153%0.53435%0.35SS..Hα-helixtrans-61.4-37.3175-70.90000112.5K63 F64 R65 L70 R71K63-C67 PolarHBondContact O-N 3.46Å; K63-C67 PolarHBondContact O-SG 3.43Å; K63-C67 VanDerWaalsContact O-SG 3.35Å; F64-C67 PolarHBondContact O-N 3.39Å; R65-C67 PolarHBondContact O-N 2.91Å; C67-L70 PolarHBondContact O-N 3.35Å; C67-R71 WeakPolarHBondContact O-CB 3.49Å; C67-R71 PolarHBondContact O-N 3.15Å
68C98.1Very high97.5Very high13 Ų1367.3 Ų67.39%0.08834%0.341CS..Hα-helixtrans-64.2-43175.6-62.80000111.8F2 C3 L39 F64 R65 H66 L70 R71 N72F2-C68 HydrophobicContact CB-CB 4.08Å; F2-C68 HydrophobicContact CG-CB 4.45Å; C3-C68 PolarHBondContact SG-O 2.64Å; L39-C68 HydrophobicContact CD1-CB 3.96Å; F64-C68 PolarHBondContact O-N 3.46Å; F64-C68 VanDerWaalsContact O-N 3.1Å; F64-C68 PolarHBondContact O-SG 3.17Å; R65-C68 WeakPolarHBondContact O-CB 3.44Å; R65-C68 PolarHBondContact O-N 3.26Å; H66-C68 VanDerWaalsContact C-N 3.3Å; H66-C68 PolarHBondContact O-N 2.98Å; C68-L70 PolarHBondContact O-N 3.26Å; C68-R71 WeakPolarHBondContact O-CB 3.45Å; C68-R71 PolarHBondContact O-N 3.43Å; C68-N72 PolarHBondContact O-N 3.37Å
69L98.4Very high97.6Very high22 Ų2265.9 Ų65.912%0.11533%0.333CS..Hα-helixtrans-58.5-47.7174.8-70.8170.9000112.2M36 L39 R65 H66 R71 N72 Q73M36-L69 HydrophobicContact CB-CD2 3.84Å; M36-L69 HydrophobicContact CG-CD2 4.03Å; M36-L69 VanDerWaalsContact O-CD2 3.23Å; M36-L69 WeakPolarHBondContact O-CD2 3.45Å; L39-L69 HydrophobicContact CB-CD2 3.78Å; L39-L69 HydrophobicContact CB-CG 4.17Å; L39-L69 HydrophobicContact CD1-CD2 4.36Å; R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.34Å; H66-L69 WeakPolarHBondContact O-CB 3.44Å; H66-L69 PolarHBondContact O-N 3.26Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 2.94Å; L69-N72 PolarHBondContact O-N 3.48Å; L69-Q73 WeakPolarHBondContact O-CB 3.35Å; L69-Q73 PolarHBondContact O-N 2.96Å
70L98.4Very high97.7Very high81 Ų8165.9 Ų65.942%0.42433%0.334SS..Hα-helixtrans-62.3-35.8177.3-67.4178.8000111.9H66 C67 C68 R74H66-L70 PolarHBondContact O-N 2.95Å; H66-L70 VanDerWaalsContact O-N 3.1Å; C67-L70 PolarHBondContact O-N 3.35Å; C68-L70 PolarHBondContact O-N 3.26Å; L70-R74 WeakPolarHBondContact O-CB 3.4Å; L70-R74 PolarHBondContact O-N 3.41Å
71R98.2Very high97.7Very high126 Ų12668.6 Ų68.648%0.47533%0.334SS..Hα-helixtrans-65.6-48.2175.6-178.461.8178.5-163.82.2111.4C3 C67 C68 L69 R74 C75C3-R71 HydrophobicContact CB-CG 4.14Å; C67-R71 WeakPolarHBondContact O-CB 3.49Å; C67-R71 PolarHBondContact O-N 3.15Å; C68-R71 WeakPolarHBondContact O-CB 3.45Å; C68-R71 PolarHBondContact O-N 3.43Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 2.94Å; R71-R74 PolarHBondContact O-N 3.35Å; R71-C75 PolarHBondContact O-N 3.28Å; R71-C75 PolarHBondContact O-SG 2.88Å
72N98.3Very high97.7Very high0 Ų068.4 Ų68.40%033%0.33CS..Hα-helixtrans-60.3-45.1177-77.2-16.9000111.6C3 A6 V32 E35 M36 C68 L69 R74 C75 I76C3-N72 VanDerWaalsContact CA-OD1 3.27Å; C3-N72 WeakPolarHBondContact CA-OD1 3.24Å; C3-N72 VanDerWaalsContact CB-OD1 3.27Å; C3-N72 WeakPolarHBondContact CB-OD1 3.28Å; C3-N72 PolarHBondContact SG-OD1 2.82Å; C3-N72 VanDerWaalsContact SG-OD1 3.33Å; A6-N72 WeakPolarHBondContact CB-OD1 3.29Å; V32-N72 HydrophobicContact CG1-CB 3.75Å; E35-N72 PolarHBondContact OE1-ND2 3.06Å; M36-N72 HydrophobicContact CG-CB 3.6Å; M36-N72 HydrophobicContact SD-CB 3.66Å; C68-N72 PolarHBondContact O-N 3.37Å; L69-N72 PolarHBondContact O-N 3.48Å; N72-R74 PolarHBondContact O-N 3.01Å; N72-C75 PolarHBondContact O-N 3.1Å; N72-I76 PolarHBondContact O-N 2.78Å
73Q98.3Very high97.6Very high114 Ų11467.4 Ų67.453%0.53333%0.325SS..Hα-helixtrans-56.5-48174.8-175.6-174.4800111.8M36 L69 C75 I76 A77M36-Q73 HydrophobicContact CE-CB 4.12Å; L69-Q73 WeakPolarHBondContact O-CB 3.35Å; L69-Q73 PolarHBondContact O-N 2.96Å; Q73-C75 VanDerWaalsContact C-N 3.35Å; Q73-C75 PolarHBondContact O-N 3.08Å; Q73-I76 PolarHBondContact O-N 3.36Å; Q73-A77 WeakPolarHBondContact O-CB 3.25Å; Q73-A77 PolarHBondContact O-N 2.75Å
74R98.4Very high97.6Very high184 Ų18463 Ų6369%0.69431%0.308SS*.Hα-helixtrans-63.2-40.6179.9-173.9173.5-179.6174.50.7112.1L70 R71 N72 A78L70-R74 WeakPolarHBondContact O-CB 3.4Å; L70-R74 PolarHBondContact O-N 3.41Å; R71-R74 PolarHBondContact O-N 3.35Å; N72-R74 PolarHBondContact O-N 3.01Å; R74-A78 VanDerWaalsContact O-CB 3.29Å; R74-A78 WeakPolarHBondContact O-CB 3.39Å; R74-A78 PolarHBondContact O-N 2.91Å
75C98.1Very high97.4Very high9 Ų959.6 Ų59.66%0.06130%0.295CS..Hα-helixtrans-66.1-46.3177.6-74.30000111.9A6 I10 R71 N72 Q73 A77 A78 Y79A6-C75 HydrophobicContact CB-CB 3.75Å; I10-C75 WeakPolarHBondContact CD1-O 3.42Å; I10-C75 HydrophobicContact CG1-CB 4.15Å; R71-C75 PolarHBondContact O-N 3.28Å; R71-C75 PolarHBondContact O-SG 2.88Å; N72-C75 PolarHBondContact O-N 3.1Å; Q73-C75 VanDerWaalsContact C-N 3.35Å; Q73-C75 PolarHBondContact O-N 3.08Å; C75-A77 PolarHBondContact O-N 2.99Å; C75-A78 PolarHBondContact O-N 3.28Å; C75-Y79 WeakPolarHBondContact O-CB 3.29Å; C75-Y79 PolarHBondContact O-N 3.46Å
76I97.9Very high97.3Very high18 Ų1858.9 Ų58.99%0.09229%0.292CS..Hα-helixtrans-60.8-47.5175.9-69.1163.9000110.6V32 L33 M36 N72 Q73 A78 Y79 L80V32-I76 HydrophobicContact CB-CD1 4Å; V32-I76 HydrophobicContact CB-CG1 4.4Å; V32-I76 HydrophobicContact CG1-CD1 3.42Å; V32-I76 VanDerWaalsContact CG1-CD1 3.42Å; V32-I76 HydrophobicContact CG1-CG1 3.92Å; L33-I76 HydrophobicContact CD2-CD1 3.92Å; L33-I76 HydrophobicContact CG-CD1 4.38Å; M36-I76 HydrophobicContact SD-CD1 3.87Å; N72-I76 PolarHBondContact O-N 2.78Å; Q73-I76 PolarHBondContact O-N 3.36Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.42Å; I76-Y79 PolarHBondContact O-N 2.74Å; I76-L80 HydrophobicContact CG2-CD1 3.78Å; I76-L80 HydrophobicContact CG2-CG 4.25Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.2Å
77A98Very high97.2Very high56 Ų5654.5 Ų54.546%0.46327%0.272SS..Hα-helixtrans-60.5-42.3179.600000112.1Q73 C75 Y81Q73-A77 WeakPolarHBondContact O-CB 3.25Å; Q73-A77 PolarHBondContact O-N 2.75Å; C75-A77 PolarHBondContact O-N 2.99Å; A77-Y81 WeakPolarHBondContact O-CB 3.37Å; A77-Y81 PolarHBondContact O-N 2.95Å
78A97.1Very high97.1Very high48 Ų4855.9 Ų55.940%0.39727%0.266SS..Hα-helixtrans-64.3-43.7176.800000112.2I10 R74 C75 I76 Y81 D82I10-A78 HydrophobicContact CD1-CB 4.1Å; R74-A78 VanDerWaalsContact O-CB 3.29Å; R74-A78 WeakPolarHBondContact O-CB 3.39Å; R74-A78 PolarHBondContact O-N 2.91Å; C75-A78 PolarHBondContact O-N 3.28Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.42Å; A78-Y81 PolarHBondContact O-N 2.95Å; A78-D82 WeakPolarHBondContact O-CB 3.36Å; A78-D82 PolarHBondContact O-N 3.17Å
79Y96.7Very high96.8Very high4 Ų457.9 Ų57.92%0.01628%0.278CS..Hα-helixtrans-58.9-50.4176.1170.9-90.3000111.5I9 L13 F24 N25 I29 C75 I76 Y81 R83I9-Y79 HydrophobicContact CB-CD2 4.2Å; I9-Y79 HydrophobicContact CD1-CG 4.25Å; L13-Y79 HydrophobicContact CB-CD2 4.34Å; L13-Y79 HydrophobicContact CD2-CD2 3.83Å; L13-Y79 HydrophobicContact CD2-CE2 4.43Å; L13-Y79 HydrophobicContact CD2-CG 4.43Å; F24-Y79 HydrophobicContact CE2-CE1 4.32Å; N25-Y79 PolarHBondContact N-OH 3.48Å; I29-Y79 HydrophobicContact CD1-CD1 4.01Å; I29-Y79 HydrophobicContact CD1-CE1 3.68Å; I29-Y79 HydrophobicContact CG1-CD1 4.48Å; I29-Y79 HydrophobicContact CG1-CE1 4.36Å; C75-Y79 WeakPolarHBondContact O-CB 3.29Å; C75-Y79 PolarHBondContact O-N 3.46Å; I76-Y79 PolarHBondContact O-N 2.74Å; Y79-Y81 PolarHBondContact O-N 2.73Å; Y79-R83 WeakPolarHBondContact O-CG 3.49Å; Y79-R83 PolarHBondContact O-N 2.96Å; Y79-R83 WeakPolarHBondContact OH-CD 3.39Å
80L97.2Very high96.6Very high72 Ų7257 Ų5738%0.37727%0.274SS..Hα-helixtrans-63.8-42.1179.5-66.8174.3000111.7F24 I29 I76 L84F24-L80 HydrophobicContact CE2-CD2 3.89Å; F24-L80 HydrophobicContact CZ-CD2 4.16Å; I29-L80 HydrophobicContact CD1-CD2 4.06Å; I76-L80 HydrophobicContact CG2-CD1 3.78Å; I76-L80 HydrophobicContact CG2-CG 4.25Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.2Å; L80-L84 PolarHBondContact O-N 3.29Å
81Y96.6Very high96.3Very high145 Ų14554 Ų5457%0.56926%0.256SS*.Hα-helixtrans-67.5-43.7-178.9-176.5-108000112.7A77 A78 Y79 R83 L84 L85A77-Y81 WeakPolarHBondContact O-CB 3.37Å; A77-Y81 PolarHBondContact O-N 2.95Å; A78-Y81 PolarHBondContact O-N 2.95Å; Y79-Y81 PolarHBondContact O-N 2.73Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.95Å; Y81-L84 VanDerWaalsContact O-CB 3.29Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.95Å; Y81-L84 VanDerWaalsContact O-N 3.16Å; Y81-L85 HydrophobicContact CD1-CD1 4.01Å; Y81-L85 HydrophobicContact CD1-CG 4.34Å; Y81-L85 HydrophobicContact CE1-CD1 3.58Å; Y81-L85 HydrophobicContact CE1-CD2 4.27Å; Y81-L85 HydrophobicContact CE1-CG 4.01Å; Y81-L85 HydrophobicContact CE2-CD2 4.45Å; Y81-L85 WeakPolarHBondContact O-CG 3.43Å; Y81-L85 PolarHBondContact O-N 3.4Å
82D95.4Very high96Very high52 Ų5251.6 Ų51.628%0.27825%0.247SC..Hα-helixtrans-62.7-42177.6-179.585.1000111.6L13 A78 L84 L85 R86L13-D82 HydrophobicContact CD2-CB 3.68Å; L13-D82 VanDerWaalsContact CD2-OD2 3.25Å; L13-D82 WeakPolarHBondContact CD2-OD2 3.35Å; L13-D82 WeakPolarHBondContact CG-OD2 3.34Å; A78-D82 WeakPolarHBondContact O-CB 3.36Å; A78-D82 PolarHBondContact O-N 3.17Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.26Å; D82-L85 WeakPolarHBondContact O-CB 3.19Å; D82-L85 PolarHBondContact O-N 3.39Å; D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 2.91Å; D82-R86 IonicContact OD2-CZ 3.85Å; D82-R86 IonicContact OD2-NE 3.56Å; D82-R86 PolarHBondContact OD2-NE 3.09Å; D82-R86 IonicContact OD2-NH2 2.76Å; D82-R86 PolarHBondContact OD2-NH2 2.95Å
83R96.1Very high95.5Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-58.5-43.1171.9-71.8-179.460.6837.8112.4L13 L21 P22 A23 Y79 Y81 L85 R86 I87 H105 E110L13-R83 HydrophobicContact CD1-CG 4.19Å; L21-R83 HydrophobicContact CD1-CB 4.49Å; P22-R83 PolarHBondContact O-NH1 3.39Å; A23-R83 PolarHBondContact O-NH1 3.27Å; Y79-R83 WeakPolarHBondContact O-CG 3.49Å; Y79-R83 PolarHBondContact O-N 2.96Å; Y79-R83 WeakPolarHBondContact OH-CD 3.39Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.07Å; R83-R86 WeakPolarHBondContact O-CB 3.46Å; R83-R86 PolarHBondContact O-N 3.32Å; R83-I87 WeakPolarHBondContact O-CD1 3.37Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.47Å; R83-I87 PolarHBondContact O-N 2.82Å; R83-H105 PolarHBondContact NH2-O 3.21Å; R83-E110 IonicContact CZ-OE1 3.56Å; R83-E110 IonicContact CZ-OE2 2.77Å; R83-E110 IonicContact NE-OE1 3.9Å; R83-E110 PolarHBondContact NE-OE1 3.27Å; R83-E110 IonicContact NE-OE2 2.69Å; R83-E110 IonicContact NH2-OE1 2.68Å; R83-E110 PolarHBondContact NH2-OE1 3.12Å; R83-E110 IonicContact NH2-OE2 3.14Å; R83-E110 PolarHBondContact NH2-OE2 3.47Å
84L96.1Very high94.9Very high47 Ų4754.2 Ų54.225%0.24626%0.257CS..Hα-helixtrans-59.6-41.5176.4-159.569.5000112.3L80 Y81 D82 I87 R88 W113L80-L84 PolarHBondContact O-N 3.29Å; Y81-L84 VanDerWaalsContact O-CB 3.29Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.95Å; Y81-L84 VanDerWaalsContact O-N 3.16Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.26Å; L84-I87 PolarHBondContact O-N 3.08Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 3.33Å; L84-W113 HydrophobicContact CD1-CB 4.37Å; L84-W113 HydrophobicContact CD1-CD2 3.21Å; L84-W113 VanDerWaalsContact CD1-CE2 3.41Å; L84-W113 HydrophobicContact CD1-CE3 3.5Å; L84-W113 VanDerWaalsContact CD1-CE3 3.5Å; L84-W113 HydrophobicContact CD1-CG 3.59Å; L84-W113 HydrophobicContact CD1-CH2 4.15Å; L84-W113 HydrophobicContact CD1-CZ2 3.89Å; L84-W113 HydrophobicContact CD1-CZ3 3.97Å; L84-W113 HydrophobicContact CD2-CD2 4.5Å; L84-W113 HydrophobicContact CD2-CZ2 3.92Å; L84-W113 HydrophobicContact CG-CD2 4.02Å; L84-W113 HydrophobicContact CG-CE3 4.26Å; L84-W113 HydrophobicContact CG-CH2 4.01Å; L84-W113 HydrophobicContact CG-CZ2 3.71Å; L84-W113 HydrophobicContact CG-CZ3 4.27Å
85L95.1Very high94.4Very high48 Ų4846.3 Ų46.325%0.25123%0.232SC..Hα-helixtrans-62.9-43.4175.9-66.7178.9000111.5Y81 D82 R83 R88 T89Y81-L85 HydrophobicContact CD1-CD1 4.01Å; Y81-L85 HydrophobicContact CD1-CG 4.34Å; Y81-L85 HydrophobicContact CE1-CD1 3.58Å; Y81-L85 HydrophobicContact CE1-CD2 4.27Å; Y81-L85 HydrophobicContact CE1-CG 4.01Å; Y81-L85 HydrophobicContact CE2-CD2 4.45Å; Y81-L85 WeakPolarHBondContact O-CG 3.43Å; Y81-L85 PolarHBondContact O-N 3.4Å; D82-L85 WeakPolarHBondContact O-CB 3.19Å; D82-L85 PolarHBondContact O-N 3.39Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.07Å; L85-R88 WeakPolarHBondContact O-CB 3.29Å; L85-R88 PolarHBondContact O-N 3.16Å; L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.17Å; L85-T89 VanDerWaalsContact O-OG1 3.13Å
86R95.2Very high93.9Very high26 Ų2649 Ų4910%0.09825%0.251CS..Hα-helixtrans-61.8-45.8175.1-65.3171.2-174.7-100.1-4.4111.3G17 Q20 L21 D82 R83 R88 T89 L90G17-R86 PolarHBondContact O-NH1 3.46Å; Q20-R86 WeakPolarHBondContact O-CD 3.11Å; Q20-R86 PolarHBondContact O-NH1 3.22Å; L21-R86 HydrophobicContact CD1-CB 4.26Å; D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 2.91Å; D82-R86 IonicContact OD2-CZ 3.85Å; D82-R86 IonicContact OD2-NE 3.56Å; D82-R86 PolarHBondContact OD2-NE 3.09Å; D82-R86 IonicContact OD2-NH2 2.76Å; D82-R86 PolarHBondContact OD2-NH2 2.95Å; R83-R86 WeakPolarHBondContact O-CB 3.46Å; R83-R86 PolarHBondContact O-N 3.32Å; R86-R88 VanDerWaalsContact C-N 3.3Å; R86-R88 PolarHBondContact O-N 3.26Å; R86-T89 WeakPolarHBondContact O-CB 3.04Å; R86-T89 PolarHBondContact O-N 3.42Å; R86-T89 VanDerWaalsContact O-N 3.12Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 3.03Å
87I95.6Very high93.4Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-60.6-39.9176.5-67.7160.5000111.5L21 R83 L84 L90 R91 M106 E110 W113 F114L21-I87 HydrophobicContact CD1-CD1 4.37Å; L21-I87 HydrophobicContact CD1-CG1 3.95Å; L21-I87 HydrophobicContact CD2-CD1 4.44Å; L21-I87 HydrophobicContact CD2-CG1 3.79Å; R83-I87 WeakPolarHBondContact O-CD1 3.37Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.47Å; R83-I87 PolarHBondContact O-N 2.82Å; L84-I87 PolarHBondContact O-N 3.08Å; I87-L90 WeakPolarHBondContact O-CB 3.44Å; I87-L90 PolarHBondContact O-N 3.18Å; I87-R91 PolarHBondContact O-N 3.19Å; I87-M106 HydrophobicContact CD1-CE 3.97Å; I87-M106 HydrophobicContact CG1-CE 4.08Å; I87-M106 HydrophobicContact CG2-CE 3.72Å; I87-E110 HydrophobicContact CD1-CB 3.8Å; I87-E110 HydrophobicContact CD1-CG 3.65Å; I87-W113 HydrophobicContact CB-CZ3 4.45Å; I87-W113 HydrophobicContact CG2-CE3 4.05Å; I87-W113 HydrophobicContact CG2-CZ3 3.91Å; I87-F114 HydrophobicContact CG2-CB 4.11Å; I87-F114 HydrophobicContact CG2-CD2 3.73Å; I87-F114 HydrophobicContact CG2-CG 4.36Å
88R95.5Very high93Very high109 Ų10950.6 Ų50.641%0.41126%0.256SS..Hα-helixtrans-59.8-47.2173.5-168.917861.5179.20.4111.1L84 L85 R86 L90 R91 W92 W113 Y117L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 3.33Å; L85-R88 WeakPolarHBondContact O-CB 3.29Å; L85-R88 PolarHBondContact O-N 3.16Å; R86-R88 VanDerWaalsContact C-N 3.3Å; R86-R88 PolarHBondContact O-N 3.26Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.4Å; R88-R91 WeakPolarHBondContact O-CB 3.29Å; R88-R91 PolarHBondContact O-N 3.41Å; R88-R91 VanDerWaalsContact O-N 3.12Å; R88-W92 VanDerWaalsContact O-CD1 3.32Å; R88-W113 HydrophobicContact CB-CH2 3.9Å; R88-W113 HydrophobicContact CB-CZ3 4.38Å; R88-W113 HydrophobicContact CG-CH2 4.25Å; R88-Y117 HydrophobicContact CG-CD1 4.45Å; R88-Y117 HydrophobicContact CG-CE1 3.74Å; R88-Y117 HydrophobicContact CG-CE2 4.16Å
89T93.3Very high92.6Very high55 Ų5550.4 Ų50.434%0.33725%0.25SS..Hα-helixtrans-58.2-40.5178.1-59.50000111.7L85 R86 R91 W92 E93L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.17Å; L85-T89 VanDerWaalsContact O-OG1 3.13Å; R86-T89 WeakPolarHBondContact O-CB 3.04Å; R86-T89 PolarHBondContact O-N 3.42Å; R86-T89 VanDerWaalsContact O-N 3.12Å; T89-R91 PolarHBondContact O-N 2.99Å; T89-R91 VanDerWaalsContact O-N 3.17Å; T89-W92 WeakPolarHBondContact O-CA 3.47Å; T89-W92 WeakPolarHBondContact O-CB 3.42Å; T89-W92 PolarHBondContact O-N 3.12Å; T89-E93 HydrophobicContact CG2-CG 4.13Å; T89-E93 WeakPolarHBondContact CG2-OE1 3.39Å; T89-E93 PolarHBondContact O-N 3.32Å
90L92.5Very high92.3Very high4 Ų455.8 Ų55.82%0.02128%0.283CS..Hα-helixtrans-57.1-33.1176.9-67.9172.2000113.3L21 R86 I87 R88 W92 E93 Y94 L98 I102L21-L90 HydrophobicContact CB-CD1 4.28Å; L21-L90 HydrophobicContact CD2-CD1 3.96Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 3.03Å; I87-L90 WeakPolarHBondContact O-CB 3.44Å; I87-L90 PolarHBondContact O-N 3.18Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.4Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 2.89Å; L90-E93 PolarHBondContact O-N 3.38Å; L90-Y94 HydrophobicContact CD2-CD2 3.77Å; L90-Y94 HydrophobicContact CD2-CE2 3.69Å; L90-Y94 PolarHBondContact O-N 3.04Å; L90-L98 HydrophobicContact CB-CD1 4.5Å; L90-L98 HydrophobicContact CB-CD2 3.95Å; L90-I102 HydrophobicContact CD1-CG2 3.44Å; L90-I102 VanDerWaalsContact CD1-CG2 3.44Å; L90-I102 HydrophobicContact CD2-CD1 4.07Å; L90-I102 HydrophobicContact CD2-CG2 4.46Å
91R93.2Very high91.9Very high17 Ų1757.5 Ų57.56%0.06429%0.293CS..Hα-helixtrans-62.7-36.4174175.555.3-171.384.2-1.4111.9I87 R88 T89 G95 F114 Y117 L121I87-R91 PolarHBondContact O-N 3.19Å; R88-R91 WeakPolarHBondContact O-CB 3.29Å; R88-R91 PolarHBondContact O-N 3.41Å; R88-R91 VanDerWaalsContact O-N 3.12Å; T89-R91 PolarHBondContact O-N 2.99Å; T89-R91 VanDerWaalsContact O-N 3.17Å; R91-G95 WeakPolarHBondContact CD-O 3.43Å; R91-G95 VanDerWaalsContact O-CA 3.3Å; R91-G95 WeakPolarHBondContact O-CA 3.4Å; R91-G95 PolarHBondContact O-N 3.47Å; R91-F114 HydrophobicContact CB-CE2 3.74Å; R91-F114 HydrophobicContact CB-CZ 4.28Å; R91-Y117 HydrophobicContact CB-CD1 4.22Å; R91-Y117 HydrophobicContact CB-CE1 3.9Å; R91-Y117 HydrophobicContact CG-CD1 4.17Å; R91-Y117 HydrophobicContact CG-CE1 3.83Å; R91-L121 HydrophobicContact CG-CD2 3.99Å
92W91Very high91.7Very high76 Ų7651.5 Ų51.529%0.28827%0.271SS..Hα-helixtrans-80.8-30.3-178.7-69.189.3000112.3R88 T89 L90 Y117 L121 I136 T137 R187R88-W92 VanDerWaalsContact O-CD1 3.32Å; T89-W92 WeakPolarHBondContact O-CA 3.47Å; T89-W92 WeakPolarHBondContact O-CB 3.42Å; T89-W92 PolarHBondContact O-N 3.12Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 2.89Å; W92-Y117 AromaticContact NE1-CZ 4Å; W92-Y117 PolarHBondContact NE1-OH 3.16Å; W92-L121 HydrophobicContact CH2-CD1 4.29Å; W92-L121 HydrophobicContact CZ2-CD1 4.01Å; W92-L121 HydrophobicContact CZ2-CD2 4.17Å; W92-I136 HydrophobicContact CH2-CD1 4.04Å; W92-I136 HydrophobicContact CH2-CG1 4.07Å; W92-I136 HydrophobicContact CZ3-CG1 4.37Å; W92-T137 HydrophobicContact CE3-CG2 4Å; W92-T137 HydrophobicContact CH2-CG2 4.25Å; W92-T137 HydrophobicContact CZ3-CG2 3.81Å; W92-R187 PolarHBondContact O-NH1 2.98Å
93E88.2Confident91.6Very high91 Ų9155.2 Ų55.243%0.42528%0.281SS..Hα-helixtrans-82-52.5179.2-68.1-179.4172.200112.8T89 L90 R187T89-E93 HydrophobicContact CG2-CG 4.13Å; T89-E93 WeakPolarHBondContact CG2-OE1 3.39Å; T89-E93 PolarHBondContact O-N 3.32Å; L90-E93 PolarHBondContact O-N 3.38Å; E93-R187 WeakPolarHBondContact O-CB 3.4Å
94Y86.3Confident91.5Very high78 Ų7863.2 Ų63.231%0.30632%0.316SS..Hα-helixtrans-97.2-23-173.2-71.3-87.8000114L90 P99 I102L90-Y94 HydrophobicContact CD2-CD2 3.77Å; L90-Y94 HydrophobicContact CD2-CE2 3.69Å; L90-Y94 PolarHBondContact O-N 3.04Å; Y94-P99 HydrophobicContact CD1-CG 3.81Å; Y94-P99 HydrophobicContact CE1-CG 3.93Å; Y94-I102 HydrophobicContact CD2-CD1 4.24Å; Y94-I102 HydrophobicContact CE1-CD1 4.36Å; Y94-I102 HydrophobicContact CE2-CD1 3.79Å
95G88Confident91.5Very high17 Ų1764.2 Ų64.218%0.17532%0.319CS..  trans98.6-159.2-176.600000114R91 V97R91-G95 WeakPolarHBondContact CD-O 3.43Å; R91-G95 VanDerWaalsContact O-CA 3.3Å; R91-G95 WeakPolarHBondContact O-CA 3.4Å; R91-G95 PolarHBondContact O-N 3.47Å; G95-V97 VanDerWaalsContact C-N 3.29Å; G95-V97 PolarHBondContact O-N 3.15Å
96S87.8Confident91.6Very high65 Ų6562.7 Ų62.746%0.45531%0.311SS..SBendtrans-72.4-20.2-173.559.50000114.3
97V87.6Confident91.7Very high100 Ų10062.5 Ų62.561%0.60631%0.313SS*.SBendtrans-116.7116.5179.9-177.80000108.6G95G95-V97 VanDerWaalsContact C-N 3.29Å; G95-V97 PolarHBondContact O-N 3.15Å
98L89.6Confident91.7Very high9 Ų965.8 Ų65.85%0.04734%0.34CS..  trans-90.2143.8177.3-59.9-178.2000111L90 I102 R103 M106 F114L90-L98 HydrophobicContact CB-CD1 4.5Å; L90-L98 HydrophobicContact CB-CD2 3.95Å; L98-I102 HydrophobicContact CD1-CG2 4.46Å; L98-R103 HydrophobicContact CB-CG 3.87Å; L98-R103 WeakPolarHBondContact O-CD 3.45Å; L98-M106 HydrophobicContact CD1-SD 4.13Å; L98-F114 HydrophobicContact CD1-CD1 4.41Å; L98-F114 HydrophobicContact CD1-CD2 4.13Å; L98-F114 HydrophobicContact CD1-CE1 4.04Å; L98-F114 HydrophobicContact CD1-CE2 3.71Å; L98-F114 HydrophobicContact CD1-CG 4.45Å; L98-F114 HydrophobicContact CD1-CZ 3.68Å; L98-F114 HydrophobicContact CD2-CE2 4.16Å; L98-F114 HydrophobicContact CD2-CZ 3.84Å; L98-F114 HydrophobicContact CG-CE1 3.98Å; L98-F114 HydrophobicContact CG-CE2 4.05Å; L98-F114 HydrophobicContact CG-CZ 3.56Å
99P88.5Confident91.8Very high44 Ų4466.8 Ų66.829%0.28635%0.35SS..  trans-52.4144.5168.8-27.234.9000113.3Y94 N101 I102 R103Y94-P99 HydrophobicContact CD1-CG 3.81Å; Y94-P99 HydrophobicContact CE1-CG 3.93Å; P99-N101 VanDerWaalsContact C-N 3.28Å; P99-N101 WeakPolarHBondContact CB-OD1 3.44Å; P99-N101 PolarHBondContact O-N 3.48Å; P99-I102 HydrophobicContact CB-CD1 4.46Å; P99-I102 HydrophobicContact CB-CG1 4.39Å; P99-I102 HydrophobicContact CG-CD1 4.19Å; P99-I102 PolarHBondContact O-N 2.88Å; P99-I102 VanDerWaalsContact O-N 3.09Å; P99-R103 PolarHBondContact O-N 3.34Å; P99-R103 VanDerWaalsContact O-N 3.15Å
100T89.5Confident92Very high116 Ų11664.7 Ų64.771%0.71234%0.336SS*.Hα-helixtrans-59.1-37.1-176.5-50.40000113I102 R103 F104T100-I102 VanDerWaalsContact C-N 3.3Å; T100-I102 PolarHBondContact O-N 2.98Å; T100-R103 PolarHBondContact O-N 3.29Å; T100-F104 WeakPolarHBondContact O-CB 3.5Å; T100-F104 PolarHBondContact O-N 2.93Å
101N89.2Confident92.2Very high109 Ų10966.7 Ų66.758%0.58335%0.347SS*.Hα-helixtrans-63.5-33.5177.960.9-58.6000112.9P99P99-N101 VanDerWaalsContact C-N 3.28Å; P99-N101 WeakPolarHBondContact CB-OD1 3.44Å; P99-N101 PolarHBondContact O-N 3.48Å
102I91.9Very high92.5Very high19 Ų1971.3 Ų71.310%0.09737%0.369CS..Hα-helixtrans-74.6-44.3176-62.5-176.7000109.9L21 L90 Y94 L98 P99 T100 F104 H105L21-I102 HydrophobicContact CD2-CG2 4.29Å; L90-I102 HydrophobicContact CD1-CG2 3.44Å; L90-I102 VanDerWaalsContact CD1-CG2 3.44Å; L90-I102 HydrophobicContact CD2-CD1 4.07Å; L90-I102 HydrophobicContact CD2-CG2 4.46Å; Y94-I102 HydrophobicContact CD2-CD1 4.24Å; Y94-I102 HydrophobicContact CE1-CD1 4.36Å; Y94-I102 HydrophobicContact CE2-CD1 3.79Å; L98-I102 HydrophobicContact CD1-CG2 4.46Å; P99-I102 HydrophobicContact CB-CD1 4.46Å; P99-I102 HydrophobicContact CB-CG1 4.39Å; P99-I102 HydrophobicContact CG-CD1 4.19Å; P99-I102 PolarHBondContact O-N 2.88Å; P99-I102 VanDerWaalsContact O-N 3.09Å; T100-I102 VanDerWaalsContact C-N 3.3Å; T100-I102 PolarHBondContact O-N 2.98Å; I102-F104 PolarHBondContact O-N 3.13Å; I102-H105 PolarHBondContact O-N 3.41Å
103R93.3Very high92.8Very high129 Ų12971 Ų7149%0.48737%0.368SS..Hα-helixtrans-60.1-31.6177.5-67.3178.460.2-167-4.3112.6L98 P99 T100 H105 M106 L111L98-R103 HydrophobicContact CB-CG 3.87Å; L98-R103 WeakPolarHBondContact O-CD 3.45Å; P99-R103 PolarHBondContact O-N 3.34Å; P99-R103 VanDerWaalsContact O-N 3.15Å; T100-R103 PolarHBondContact O-N 3.29Å; R103-H105 PolarHBondContact O-N 2.79Å; R103-M106 PolarHBondContact O-N 3.32Å; R103-L111 HydrophobicContact CB-CD2 4.4Å; R103-L111 HydrophobicContact CG-CD2 4.34Å
104F94.7Very high93.3Very high169 Ų16967.1 Ų67.174%0.74135%0.35SS*.THydrogen-bonded Turntrans-64.2-23.6177.3-172.3-98.7000113.3T100 I102T100-F104 WeakPolarHBondContact O-CB 3.5Å; T100-F104 PolarHBondContact O-N 2.93Å; I102-F104 PolarHBondContact O-N 3.13Å
105H95.5Very high93.8Very high68 Ų6867 Ų6732%0.31535%0.354SS..THydrogen-bonded Turntrans-89.2-2.3177.8-67.3163000114.1L21 F24 R83 I102 R103L21-H105 PolarHBondContact O-ND1 2.86Å; L21-H105 VanDerWaalsContact O-ND1 3.17Å; F24-H105 PolarHBondContact N-O 3.46Å; F24-H105 VanDerWaalsContact N-O 3.08Å; R83-H105 PolarHBondContact NH2-O 3.21Å; I102-H105 PolarHBondContact O-N 3.41Å; R103-H105 PolarHBondContact O-N 2.79Å
106M96.6Very high94.3Very high15 Ų1571.4 Ų71.47%0.07437%0.37CS..SBendtrans-96.7144.8-178.9-63.1174.669.300110.8L21 I87 L98 R103 E110 L111 F114L21-M106 HydrophobicContact CD2-CG 3.6Å; L21-M106 HydrophobicContact CD2-SD 4.36Å; I87-M106 HydrophobicContact CD1-CE 3.97Å; I87-M106 HydrophobicContact CG1-CE 4.08Å; I87-M106 HydrophobicContact CG2-CE 3.72Å; L98-M106 HydrophobicContact CD1-SD 4.13Å; R103-M106 PolarHBondContact O-N 3.32Å; M106-E110 WeakPolarHBondContact CA-OE2 3.49Å; M106-E110 HydrophobicContact CB-CB 4.21Å; M106-E110 HydrophobicContact CE-CB 3.95Å; M106-E110 WeakPolarHBondContact CE-O 3.49Å; M106-L111 HydrophobicContact CB-CD2 4.14Å; M106-L111 HydrophobicContact CB-CG 3.94Å; M106-L111 HydrophobicContact CE-CD2 3.82Å; M106-L111 HydrophobicContact CE-CG 4.17Å; M106-L111 HydrophobicContact SD-CD2 3.69Å; M106-L111 HydrophobicContact SD-CG 4.42Å; M106-F114 HydrophobicContact CE-CB 4.1Å
107C97.1Very high94.7Very high22 Ų2270.4 Ų70.415%0.14936%0.357CS..  trans-77.3169.5166.176.90000111.4F24 E109 E110 L111F24-C107 HydrophobicContact CB-CB 4.33Å; F24-C107 HydrophobicContact CD1-CB 3.95Å; F24-C107 HydrophobicContact CD2-CB 3.94Å; F24-C107 HydrophobicContact CE1-CB 4.2Å; F24-C107 HydrophobicContact CE2-CB 4.21Å; F24-C107 HydrophobicContact CG-CB 3.81Å; F24-C107 HydrophobicContact CZ-CB 4.32Å; C107-E109 VanDerWaalsContact C-N 3.3Å; C107-E109 PolarHBondContact O-N 3.12Å; C107-E109 PolarHBondContact SG-OE2 3.44Å; C107-E110 PolarHBondContact N-OE2 3.37Å; C107-E110 VanDerWaalsContact N-OE2 3.08Å; C107-E110 PolarHBondContact O-N 2.9Å; C107-E110 VanDerWaalsContact SG-CG 3.51Å; C107-E110 PolarHBondContact SG-N 3.32Å; C107-E110 VanDerWaalsContact SG-N 3.42Å; C107-L111 WeakPolarHBondContact O-CG 3.38Å; C107-L111 PolarHBondContact O-N 3.36Å; C107-L111 VanDerWaalsContact O-N 3.12Å
108A97Very high95.1Very high69 Ų6969 Ų6957%0.5734%0.343SS*.Hα-helixtrans-61.5-39.7-177.800000112.3L111 E112A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.32Å; A108-E112 PolarHBondContact O-N 3.03Å
109E97.6Very high95.4Very high130 Ų13076 Ų7661%0.60737%0.372SS*.Hα-helixtrans-70.1-36.6-179.3-58.275.1-166.300111.3C107 L111 E112 W113C107-E109 VanDerWaalsContact C-N 3.3Å; C107-E109 PolarHBondContact O-N 3.12Å; C107-E109 PolarHBondContact SG-OE2 3.44Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-E112 PolarHBondContact O-N 3.12Å; E109-W113 WeakPolarHBondContact O-CB 3.38Å; E109-W113 PolarHBondContact O-N 2.92Å
110E97.8Very high95.9Very high12 Ų1277 Ų776%0.05638%0.381CS..Hα-helixtrans-64.4-38.4173-80.6176.5158.300111.6R83 I87 M106 C107 W113 F114R83-E110 IonicContact CZ-OE1 3.56Å; R83-E110 IonicContact CZ-OE2 2.77Å; R83-E110 IonicContact NE-OE1 3.9Å; R83-E110 PolarHBondContact NE-OE1 3.27Å; R83-E110 IonicContact NE-OE2 2.69Å; R83-E110 IonicContact NH2-OE1 2.68Å; R83-E110 PolarHBondContact NH2-OE1 3.12Å; R83-E110 IonicContact NH2-OE2 3.14Å; R83-E110 PolarHBondContact NH2-OE2 3.47Å; I87-E110 HydrophobicContact CD1-CB 3.8Å; I87-E110 HydrophobicContact CD1-CG 3.65Å; M106-E110 WeakPolarHBondContact CA-OE2 3.49Å; M106-E110 HydrophobicContact CB-CB 4.21Å; M106-E110 HydrophobicContact CE-CB 3.95Å; M106-E110 WeakPolarHBondContact CE-O 3.49Å; C107-E110 PolarHBondContact N-OE2 3.37Å; C107-E110 VanDerWaalsContact N-OE2 3.08Å; C107-E110 PolarHBondContact O-N 2.9Å; C107-E110 VanDerWaalsContact SG-CG 3.51Å; C107-E110 PolarHBondContact SG-N 3.32Å; C107-E110 VanDerWaalsContact SG-N 3.42Å; E110-W113 PolarHBondContact O-N 3.42Å; E110-F114 WeakPolarHBondContact O-CB 3.33Å; E110-F114 PolarHBondContact O-N 3.17Å
111L96.9Very high96.2Very high45 Ų4572.1 Ų72.124%0.23635%0.35CS..Hα-helixtrans-67.2-41.2174.8-72.3168.2000111.6R103 M106 C107 A108 E109 F114 N115R103-L111 HydrophobicContact CB-CD2 4.4Å; R103-L111 HydrophobicContact CG-CD2 4.34Å; M106-L111 HydrophobicContact CB-CD2 4.14Å; M106-L111 HydrophobicContact CB-CG 3.94Å; M106-L111 HydrophobicContact CE-CD2 3.82Å; M106-L111 HydrophobicContact CE-CG 4.17Å; M106-L111 HydrophobicContact SD-CD2 3.69Å; M106-L111 HydrophobicContact SD-CG 4.42Å; C107-L111 WeakPolarHBondContact O-CG 3.38Å; C107-L111 PolarHBondContact O-N 3.36Å; C107-L111 VanDerWaalsContact O-N 3.12Å; A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.32Å; E109-L111 VanDerWaalsContact C-N 3.33Å; L111-F114 PolarHBondContact O-N 3.04Å; L111-N115 VanDerWaalsContact O-CG 3.3Å; L111-N115 PolarHBondContact O-N 2.99Å; L111-N115 PolarHBondContact O-ND2 2.89Å; L111-N115 VanDerWaalsContact O-ND2 3.07Å
112E97.9Very high96.4Very high114 Ų11468.1 Ų68.153%0.53333%0.332SS..Hα-helixtrans-60.9-48.6173.9-169.6-175.4165.500110.9A108 E109 F114 N115 Q116A108-E112 PolarHBondContact O-N 3.03Å; E109-E112 PolarHBondContact O-N 3.12Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.89Å; E112-N115 WeakPolarHBondContact O-CB 3.22Å; E112-N115 PolarHBondContact O-N 2.74Å; E112-N115 VanDerWaalsContact O-N 3.07Å; E112-Q116 WeakPolarHBondContact O-CG 3.26Å; E112-Q116 PolarHBondContact O-N 3.03Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å
113W98.1Very high96.6Very high71 Ų7171.1 Ų71.127%0.26935%0.352SS..Hα-helixtrans-56.8-44.7176.1-178.291.9000111.9L84 I87 R88 E109 E110 N115 Q116 Y117L84-W113 HydrophobicContact CD1-CB 4.37Å; L84-W113 HydrophobicContact CD1-CD2 3.21Å; L84-W113 VanDerWaalsContact CD1-CE2 3.41Å; L84-W113 HydrophobicContact CD1-CE3 3.5Å; L84-W113 VanDerWaalsContact CD1-CE3 3.5Å; L84-W113 HydrophobicContact CD1-CG 3.59Å; L84-W113 HydrophobicContact CD1-CH2 4.15Å; L84-W113 HydrophobicContact CD1-CZ2 3.89Å; L84-W113 HydrophobicContact CD1-CZ3 3.97Å; L84-W113 HydrophobicContact CD2-CD2 4.5Å; L84-W113 HydrophobicContact CD2-CZ2 3.92Å; L84-W113 HydrophobicContact CG-CD2 4.02Å; L84-W113 HydrophobicContact CG-CE3 4.26Å; L84-W113 HydrophobicContact CG-CH2 4.01Å; L84-W113 HydrophobicContact CG-CZ2 3.71Å; L84-W113 HydrophobicContact CG-CZ3 4.27Å; I87-W113 HydrophobicContact CB-CZ3 4.45Å; I87-W113 HydrophobicContact CG2-CE3 4.05Å; I87-W113 HydrophobicContact CG2-CZ3 3.91Å; R88-W113 HydrophobicContact CB-CH2 3.9Å; R88-W113 HydrophobicContact CB-CZ3 4.38Å; R88-W113 HydrophobicContact CG-CH2 4.25Å; E109-W113 WeakPolarHBondContact O-CB 3.38Å; E109-W113 PolarHBondContact O-N 2.92Å; E110-W113 PolarHBondContact O-N 3.42Å; W113-N115 VanDerWaalsContact C-N 3.29Å; W113-N115 PolarHBondContact O-N 3.01Å; W113-Q116 PolarHBondContact O-N 3.39Å; W113-Q116 VanDerWaalsContact O-N 3.15Å; W113-Y117 HydrophobicContact CH2-CD1 4.32Å; W113-Y117 HydrophobicContact CH2-CD2 4.19Å; W113-Y117 AromaticContact CH2-CG 3.9Å; W113-Y117 HydrophobicContact CH2-CG 3.9Å; W113-Y117 HydrophobicContact CZ2-CD2 4.39Å; W113-Y117 HydrophobicContact CZ2-CG 4.38Å; W113-Y117 HydrophobicContact CZ3-CD1 4.42Å; W113-Y117 HydrophobicContact CZ3-CG 4.21Å; W113-Y117 WeakPolarHBondContact O-CB 3.35Å; W113-Y117 PolarHBondContact O-N 3.3Å
114F97.7Very high96.7Very high9 Ų969.8 Ų69.84%0.03935%0.35CS..Hα-helixtrans-60.4-39.8176.8-179.3-95000111.9I87 R91 L98 M106 E110 L111 E112 Y117 K118I87-F114 HydrophobicContact CG2-CB 4.11Å; I87-F114 HydrophobicContact CG2-CD2 3.73Å; I87-F114 HydrophobicContact CG2-CG 4.36Å; R91-F114 HydrophobicContact CB-CE2 3.74Å; R91-F114 HydrophobicContact CB-CZ 4.28Å; L98-F114 HydrophobicContact CD1-CD1 4.41Å; L98-F114 HydrophobicContact CD1-CD2 4.13Å; L98-F114 HydrophobicContact CD1-CE1 4.04Å; L98-F114 HydrophobicContact CD1-CE2 3.71Å; L98-F114 HydrophobicContact CD1-CG 4.45Å; L98-F114 HydrophobicContact CD1-CZ 3.68Å; L98-F114 HydrophobicContact CD2-CE2 4.16Å; L98-F114 HydrophobicContact CD2-CZ 3.84Å; L98-F114 HydrophobicContact CG-CE1 3.98Å; L98-F114 HydrophobicContact CG-CE2 4.05Å; L98-F114 HydrophobicContact CG-CZ 3.56Å; M106-F114 HydrophobicContact CE-CB 4.1Å; E110-F114 WeakPolarHBondContact O-CB 3.33Å; E110-F114 PolarHBondContact O-N 3.17Å; L111-F114 PolarHBondContact O-N 3.04Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.89Å; F114-Y117 PolarHBondContact O-N 2.73Å; F114-K118 HydrophobicContact CD1-CD 4.28Å; F114-K118 HydrophobicContact CE1-CD 4.06Å; F114-K118 WeakPolarHBondContact O-CB 3.45Å; F114-K118 PolarHBondContact O-N 3.37Å
115N97.1Very high96.7Very high76 Ų7662.7 Ų62.741%0.40632%0.319SS..Hα-helixtrans-66.3-36.5176.1-72.5-39.6000112.7L111 E112 W113 K118 K119L111-N115 VanDerWaalsContact O-CG 3.3Å; L111-N115 PolarHBondContact O-N 2.99Å; L111-N115 PolarHBondContact O-ND2 2.89Å; L111-N115 VanDerWaalsContact O-ND2 3.07Å; E112-N115 WeakPolarHBondContact O-CB 3.22Å; E112-N115 PolarHBondContact O-N 2.74Å; E112-N115 VanDerWaalsContact O-N 3.07Å; W113-N115 VanDerWaalsContact C-N 3.29Å; W113-N115 PolarHBondContact O-N 3.01Å; N115-K118 WeakPolarHBondContact O-CG 3.24Å; N115-K118 WeakPolarHBondContact OD1-CE 3.45Å; N115-K118 PolarHBondContact OD1-NZ 3.36Å; N115-K119 WeakPolarHBondContact O-CB 3.41Å; N115-K119 PolarHBondContact O-N 2.84Å
116Q98.1Very high96.6Very high108 Ų10867.9 Ų67.951%0.50534%0.336SS..Hα-helixtrans-69.2-46.1174.4-65.9176.913.900110.8E112 W113 K119 S120E112-Q116 WeakPolarHBondContact O-CG 3.26Å; E112-Q116 PolarHBondContact O-N 3.03Å; E112-Q116 PolarHBondContact OE1-NE2 2.89Å; W113-Q116 PolarHBondContact O-N 3.39Å; W113-Q116 VanDerWaalsContact O-N 3.15Å; Q116-K119 WeakPolarHBondContact O-CB 3.42Å; Q116-K119 PolarHBondContact O-N 3.15Å; Q116-S120 PolarHBondContact O-N 3.07Å; Q116-S120 PolarHBondContact O-OG 2.97Å
117Y97.8Very high96.5Very high44 Ų4471.3 Ų71.317%0.17336%0.361CS..Hα-helixtrans-61.3-45.9178.6178.2-108.9000112.6R88 R91 W92 W113 F114 K119 S120 L121R88-Y117 HydrophobicContact CG-CD1 4.45Å; R88-Y117 HydrophobicContact CG-CE1 3.74Å; R88-Y117 HydrophobicContact CG-CE2 4.16Å; R91-Y117 HydrophobicContact CB-CD1 4.22Å; R91-Y117 HydrophobicContact CB-CE1 3.9Å; R91-Y117 HydrophobicContact CG-CD1 4.17Å; R91-Y117 HydrophobicContact CG-CE1 3.83Å; W92-Y117 AromaticContact NE1-CZ 4Å; W92-Y117 PolarHBondContact NE1-OH 3.16Å; W113-Y117 HydrophobicContact CH2-CD1 4.32Å; W113-Y117 HydrophobicContact CH2-CD2 4.19Å; W113-Y117 AromaticContact CH2-CG 3.9Å; W113-Y117 HydrophobicContact CH2-CG 3.9Å; W113-Y117 HydrophobicContact CZ2-CD2 4.39Å; W113-Y117 HydrophobicContact CZ2-CG 4.38Å; W113-Y117 HydrophobicContact CZ3-CD1 4.42Å; W113-Y117 HydrophobicContact CZ3-CG 4.21Å; W113-Y117 WeakPolarHBondContact O-CB 3.35Å; W113-Y117 PolarHBondContact O-N 3.3Å; F114-Y117 PolarHBondContact O-N 2.73Å; Y117-K119 PolarHBondContact O-N 3.44Å; Y117-S120 PolarHBondContact O-N 3.07Å; Y117-S120 PolarHBondContact O-OG 3.37Å; Y117-L121 HydrophobicContact CE1-CD2 4.44Å; Y117-L121 WeakPolarHBondContact O-CB 3.42Å; Y117-L121 PolarHBondContact O-N 3.36Å
118K95.1Very high96.3Very high72 Ų7272.7 Ų72.731%0.31337%0.367SS..Hα-helixtrans-64-33.6178.179.8-172.7-172-1730111.6F114 N115 A122F114-K118 HydrophobicContact CD1-CD 4.28Å; F114-K118 HydrophobicContact CE1-CD 4.06Å; F114-K118 WeakPolarHBondContact O-CB 3.45Å; F114-K118 PolarHBondContact O-N 3.37Å; N115-K118 WeakPolarHBondContact O-CG 3.24Å; N115-K118 WeakPolarHBondContact OD1-CE 3.45Å; N115-K118 PolarHBondContact OD1-NZ 3.36Å; K118-A122 WeakPolarHBondContact O-CB 3.36Å; K118-A122 PolarHBondContact O-N 2.88Å
119K96.8Very high95.6Very high154 Ų15472.4 Ų72.467%0.6737%0.371SS*.Hα-helixtrans-69.5-45.5176.4-175.3179.4179.1-178.60111.1N115 Q116 Y117 L121 A122 T123N115-K119 WeakPolarHBondContact O-CB 3.41Å; N115-K119 PolarHBondContact O-N 2.84Å; Q116-K119 WeakPolarHBondContact O-CB 3.42Å; Q116-K119 PolarHBondContact O-N 3.15Å; Y117-K119 PolarHBondContact O-N 3.44Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.82Å; K119-A122 PolarHBondContact O-N 3.4Å; K119-T123 PolarHBondContact O-N 2.94Å; K119-T123 PolarHBondContact O-OG1 3.05Å
120S97.3Very high95.1Very high67 Ų6769.1 Ų69.147%0.46937%0.372SS..Hα-helixtrans-63.2-40.8177.164.10000111.7Q116 Y117 T123 F124Q116-S120 PolarHBondContact O-N 3.07Å; Q116-S120 PolarHBondContact O-OG 2.97Å; Y117-S120 PolarHBondContact O-N 3.07Å; Y117-S120 PolarHBondContact O-OG 3.37Å; S120-T123 PolarHBondContact O-N 3.13Å; S120-F124 PolarHBondContact O-N 3.37Å
121L96.1Very high94.4Very high12 Ų1278.5 Ų78.56%0.06342%0.415CS..Hα-helixtrans-63-43.1175.2-175.160.2000111.3R91 W92 Y117 K119 T123 F124 M125 I136 T137R91-L121 HydrophobicContact CG-CD2 3.99Å; W92-L121 HydrophobicContact CH2-CD1 4.29Å; W92-L121 HydrophobicContact CZ2-CD1 4.01Å; W92-L121 HydrophobicContact CZ2-CD2 4.17Å; Y117-L121 HydrophobicContact CE1-CD2 4.44Å; Y117-L121 WeakPolarHBondContact O-CB 3.42Å; Y117-L121 PolarHBondContact O-N 3.36Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.82Å; L121-T123 PolarHBondContact O-N 2.83Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.35Å; L121-M125 HydrophobicContact CG-CE 3.9Å; L121-M125 HydrophobicContact CG-SD 4.34Å; L121-M125 WeakPolarHBondContact O-CG 3.31Å; L121-M125 PolarHBondContact O-N 3.02Å; L121-I136 HydrophobicContact CD1-CD1 4.32Å; L121-T137 HydrophobicContact CD2-CG2 4Å
122A93.9Very high93.7Very high25 Ų2585.5 Ų85.521%0.20745%0.447CS..Hα-helixtrans-62.2-40.7175.600000112.7K118 K119 F124 M125 R126K118-A122 WeakPolarHBondContact O-CB 3.36Å; K118-A122 PolarHBondContact O-N 2.88Å; K119-A122 PolarHBondContact O-N 3.4Å; A122-F124 VanDerWaalsContact C-N 3.33Å; A122-M125 HydrophobicContact CB-CE 4.31Å; A122-M125 PolarHBondContact O-N 2.91Å; A122-R126 WeakPolarHBondContact O-CG 3.11Å; A122-R126 PolarHBondContact O-N 3.04Å; A122-R126 VanDerWaalsContact O-N 3.09Å
123T95.7Very high93.3Very high82 Ų8281.1 Ų81.150%0.50343%0.432SS..Hα-helixtrans-60.5-44.1173-62.80000111.3K119 S120 L121 R126 S127K119-T123 PolarHBondContact O-N 2.94Å; K119-T123 PolarHBondContact O-OG1 3.05Å; S120-T123 PolarHBondContact O-N 3.13Å; L121-T123 PolarHBondContact O-N 2.83Å; T123-R126 PolarHBondContact O-N 3.27Å; T123-S127 PolarHBondContact O-N 3.47Å
124F95.4Very high93Very high102 Ų10282.4 Ų82.445%0.44744%0.444SS..Hα-helixtrans-61.5-47.6176.8179.9-114.7000111.8S120 L121 A122 R126 S127 L128 I136S120-F124 PolarHBondContact O-N 3.37Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.35Å; A122-F124 VanDerWaalsContact C-N 3.33Å; F124-R126 VanDerWaalsContact C-N 3.29Å; F124-R126 PolarHBondContact O-N 3.07Å; F124-S127 WeakPolarHBondContact O-CB 3.3Å; F124-S127 PolarHBondContact O-N 2.61Å; F124-S127 PolarHBondContact O-OG 3.47Å; F124-L128 HydrophobicContact CD1-CD1 4.27Å; F124-L128 HydrophobicContact CE1-CD1 3.79Å; F124-L128 HydrophobicContact CE2-CD2 4.33Å; F124-L128 HydrophobicContact CZ-CD1 3.93Å; F124-L128 HydrophobicContact CZ-CD2 4.27Å; F124-L128 HydrophobicContact CZ-CG 4.41Å; F124-L128 PolarHBondContact O-N 3.03Å; F124-I136 HydrophobicContact CD1-CD1 3.78Å; F124-I136 HydrophobicContact CE1-CD1 3.61Å
125M94.6Very high92.6Very high20 Ų2084.6 Ų84.610%0.09946%0.456CS..Hα-helixtrans-58.4-38.7178.4-72.1-178.3-62.700112.8L121 A122 S127 L128 L134 D135 I136 T137L121-M125 HydrophobicContact CG-CE 3.9Å; L121-M125 HydrophobicContact CG-SD 4.34Å; L121-M125 WeakPolarHBondContact O-CG 3.31Å; L121-M125 PolarHBondContact O-N 3.02Å; A122-M125 HydrophobicContact CB-CE 4.31Å; A122-M125 PolarHBondContact O-N 2.91Å; M125-S127 VanDerWaalsContact C-N 3.3Å; M125-S127 PolarHBondContact O-N 3.21Å; M125-L128 PolarHBondContact O-N 3.46Å; M125-L134 WeakPolarHBondContact CA-O 3.32Å; M125-L134 VanDerWaalsContact CB-O 3.28Å; M125-L134 WeakPolarHBondContact CB-O 3.44Å; M125-L134 WeakPolarHBondContact CG-O 3.3Å; M125-L134 PolarHBondContact O-N 3.12Å; M125-D135 VanDerWaalsContact SD-OD1 3.34Å; M125-I136 HydrophobicContact CG-CD1 4.37Å; M125-I136 HydrophobicContact CG-CG1 3.95Å; M125-I136 HydrophobicContact SD-CG1 4.17Å; M125-T137 HydrophobicContact SD-CG2 3.89Å
126R93.8Very high92.2Very high177 Ų17783.6 Ų83.667%0.66845%0.45SS*.Hα-helixtrans-70.5-22.7175.3-68.9-177.9-162.3126-0.6114.2A122 T123 F124 L128A122-R126 WeakPolarHBondContact O-CG 3.11Å; A122-R126 PolarHBondContact O-N 3.04Å; A122-R126 VanDerWaalsContact O-N 3.09Å; T123-R126 PolarHBondContact O-N 3.27Å; F124-R126 VanDerWaalsContact C-N 3.29Å; F124-R126 PolarHBondContact O-N 3.07Å; R126-L128 VanDerWaalsContact C-N 3.25Å
127S94.6Very high91.8Very high86 Ų8678.8 Ų78.860%0.60143%0.428SS*.Hα-helixtrans-79.4-11.1178.172.30000113.4T123 F124 M125T123-S127 PolarHBondContact O-N 3.47Å; F124-S127 WeakPolarHBondContact O-CB 3.3Å; F124-S127 PolarHBondContact O-N 2.61Å; F124-S127 PolarHBondContact O-OG 3.47Å; M125-S127 VanDerWaalsContact C-N 3.3Å; M125-S127 PolarHBondContact O-N 3.21Å
128L93.1Very high91Very high52 Ų5278.8 Ų78.827%0.27243%0.43SS..SBendtrans-97.2159.2177.5-58.9176000109.9F124 M125 R126 G130 G133 L134 I136F124-L128 HydrophobicContact CD1-CD1 4.27Å; F124-L128 HydrophobicContact CE1-CD1 3.79Å; F124-L128 HydrophobicContact CE2-CD2 4.33Å; F124-L128 HydrophobicContact CZ-CD1 3.93Å; F124-L128 HydrophobicContact CZ-CD2 4.27Å; F124-L128 HydrophobicContact CZ-CG 4.41Å; F124-L128 PolarHBondContact O-N 3.03Å; M125-L128 PolarHBondContact O-N 3.46Å; R126-L128 VanDerWaalsContact C-N 3.25Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 3.42Å; L128-G133 CarbonylContact O-C 3.26Å; L128-G133 VanDerWaalsContact O-C 3.26Å; L128-G133 WeakPolarHBondContact O-CA 3.41Å; L128-L134 HydrophobicContact CB-CB 3.86Å; L128-L134 PolarHBondContact O-N 3.22Å; L128-I136 HydrophobicContact CD1-CG2 3.85Å
129G82.9Confident90.3Very high63 Ų6379.8 Ų79.865%0.64944%0.438SS*.SBendtrans73.811.4167.500000116.7
130G87.3Confident89.4Confident61 Ų6178.3 Ų78.363%0.62944%0.436SS*.THydrogen-bonded Turntrans78.4-136178.100000112.4L128 E132L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 3.42Å; G130-E132 VanDerWaalsContact C-N 3.35Å; G130-E132 PolarHBondContact O-N 2.9Å
131E82.5Confident88.6Confident208 Ų20882.3 Ų82.397%0.97244%0.444SS*.THydrogen-bonded Turntrans-72.6-24.3-175-63.2-165.5165.100113.8
132E82.1Confident88.1Confident193 Ų19387 Ų8790%0.90248%0.476SS*.SBendtrans-91.7-14.6-174.8-63.8-168.1165.100114.1G130G130-E132 VanDerWaalsContact C-N 3.35Å; G130-E132 PolarHBondContact O-N 2.9Å
133G89.9Confident87.6Confident22 Ų2290.6 Ų90.623%0.22750%0.497CS..  trans78.4172.8-171.600000113.1L128L128-G133 CarbonylContact O-C 3.26Å; L128-G133 VanDerWaalsContact O-C 3.26Å; L128-G133 WeakPolarHBondContact O-CA 3.41Å
134L90.4Very high87.1Confident97 Ų9795.5 Ų95.551%0.50851%0.511SS..  trans-135.4117.3167.1178.966.2000110.4M125 L128 I136M125-L134 WeakPolarHBondContact CA-O 3.32Å; M125-L134 VanDerWaalsContact CB-O 3.28Å; M125-L134 WeakPolarHBondContact CB-O 3.44Å; M125-L134 WeakPolarHBondContact CG-O 3.3Å; M125-L134 PolarHBondContact O-N 3.12Å; L128-L134 HydrophobicContact CB-CB 3.86Å; L128-L134 PolarHBondContact O-N 3.22Å; L134-I136 HydrophobicContact CD2-CG2 4.01Å; L134-I136 HydrophobicContact CG-CG2 4.04Å; L134-I136 PolarHBondContact O-N 2.92Å; L134-I136 VanDerWaalsContact O-N 3.11Å
135D89.1Confident86.7Confident56 Ų5693.8 Ų93.830%0.29951%0.512SS..  trans-80.688.9173.7-172.7-4000111M125 T137 Q138M125-D135 VanDerWaalsContact SD-OD1 3.34Å; D135-T137 PolarHBondContact O-N 3.24Å; D135-T137 VanDerWaalsContact O-N 3.09Å; D135-T137 WeakPolarHBondContact OD1-CA 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.48Å; D135-T137 PolarHBondContact OD1-OG1 3.48Å; D135-Q138 HydrophobicContact CB-CG 4.38Å; D135-Q138 PolarHBondContact O-N 2.87Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.44Å; D135-Q138 PolarHBondContact OD2-NE2 3.42Å
136I90.3Very high86.4Confident54 Ų5499.8 Ų99.828%0.27754%0.544SS..THydrogen-bonded Turntrans-68.9-1.8177.368-178.2000114W92 L121 F124 M125 L128 L134W92-I136 HydrophobicContact CH2-CD1 4.04Å; W92-I136 HydrophobicContact CH2-CG1 4.07Å; W92-I136 HydrophobicContact CZ3-CG1 4.37Å; L121-I136 HydrophobicContact CD1-CD1 4.32Å; F124-I136 HydrophobicContact CD1-CD1 3.78Å; F124-I136 HydrophobicContact CE1-CD1 3.61Å; M125-I136 HydrophobicContact CG-CD1 4.37Å; M125-I136 HydrophobicContact CG-CG1 3.95Å; M125-I136 HydrophobicContact SD-CG1 4.17Å; L128-I136 HydrophobicContact CD1-CG2 3.85Å; L134-I136 HydrophobicContact CD2-CG2 4.01Å; L134-I136 HydrophobicContact CG-CG2 4.04Å; L134-I136 PolarHBondContact O-N 2.92Å; L134-I136 VanDerWaalsContact O-N 3.11Å
137T88.1Confident86.2Confident8 Ų897.3 Ų97.35%0.04954%0.535CS..THydrogen-bonded Turntrans-88.1-7.9176.671.50000112.1W92 L121 M125 D135 R187W92-T137 HydrophobicContact CE3-CG2 4Å; W92-T137 HydrophobicContact CH2-CG2 4.25Å; W92-T137 HydrophobicContact CZ3-CG2 3.81Å; L121-T137 HydrophobicContact CD2-CG2 4Å; M125-T137 HydrophobicContact SD-CG2 3.89Å; D135-T137 PolarHBondContact O-N 3.24Å; D135-T137 VanDerWaalsContact O-N 3.09Å; D135-T137 WeakPolarHBondContact OD1-CA 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.48Å; D135-T137 PolarHBondContact OD1-OG1 3.48Å; T137-R187 VanDerWaalsContact O-CZ 3.26Å; T137-R187 PolarHBondContact O-NH1 3.4Å; T137-R187 PolarHBondContact O-NH2 2.97Å
138Q82.9Confident86Confident44 Ų4493.6 Ų93.621%0.20651%0.509CS..SBendtrans-93171.7175.6-59.1-17016.900111.7D135 M140D135-Q138 HydrophobicContact CB-CG 4.38Å; D135-Q138 PolarHBondContact O-N 2.87Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.44Å; D135-Q138 PolarHBondContact OD2-NE2 3.42Å; Q138-M140 VanDerWaalsContact C-N 3.34Å; Q138-M140 PolarHBondContact O-N 2.93Å
139D78.9Confident86Confident92 Ų9294.9 Ų94.949%0.49251%0.513SS..  trans59.735.1169.6-56.3-49.2000115.7K141 E183D139-K141 PolarHBondContact O-N 2.87Å; D139-E183 PolarHBondContact N-OE2 2.94Å
140M78.8Confident86.5Confident124 Ų12491.9 Ų91.961%0.61148%0.482SS*.  trans-63.3-10.6178.4-62.1-66.5-77.900113.7Q138Q138-M140 VanDerWaalsContact C-N 3.34Å; Q138-M140 PolarHBondContact O-N 2.93Å
141K80.3Confident86.9Confident150 Ų15093.1 Ų93.165%0.65247%0.468SS*.SBendtrans-129.9142.2176.8-67.9179.9-178.81760108.8D139D139-K141 PolarHBondContact O-N 2.87Å
142P85.2Confident87.5Confident112 Ų11283.2 Ų83.273%0.72742%0.422SS*.  trans-53.1132.5176.4-26.233.8000111.8K144P142-K144 PolarHBondContact O-N 3.31Å
143P83Confident87.9Confident99 Ų9977.5 Ų77.564%0.64340%0.397SS*.  trans-68126.8179.126.8-33.1000109.9
144K85.8Confident87.9Confident185 Ų18581 Ų8180%0.80441%0.406SS*.SBendtrans-93.6-28175.4-66.2-175.7177.2-175.10112.7P142P142-K144 PolarHBondContact O-N 3.31Å
145S86.6Confident87.9Confident67 Ų6782 Ų8247%0.46941%0.412SS..  trans-155.5148.9-174.6-50.70000109.6Y147S145-Y147 WeakPolarHBondContact CB-O 3.38Å
146L88.2Confident87.8Confident146 Ų14683.2 Ų83.276%0.76442%0.415SS*.SBendtrans-73.4-36179-67.1173.3000112.4R179L146-R179 PolarHBondContact O-N 2.9Å
147Y89.6Confident87.7Confident124 Ų12482 Ų8249%0.48642%0.416SS..EExtended strand (participates in β ladder)trans-116.5151.2176.5-72.4-102.6000109.8S145 F176 L177 P178S145-Y147 WeakPolarHBondContact CB-O 3.38Å; Y147-F176 VanDerWaalsContact CB-CE1 3.41Å; Y147-F176 HydrophobicContact CD1-CD1 4.07Å; Y147-F176 AromaticContact CD1-CE1 3.87Å; Y147-F176 HydrophobicContact CD1-CE1 3.87Å; Y147-F176 HydrophobicContact CG-CD1 4.41Å; Y147-F176 AromaticContact CG-CE1 3.78Å; Y147-F176 HydrophobicContact CG-CE1 3.78Å; Y147-F176 HydrophobicContact CG-CZ 4.1Å; Y147-L177 WeakPolarHBondContact CA-O 3.46Å; Y147-P178 HydrophobicContact CD1-CG 4.22Å; Y147-P178 HydrophobicContact CE1-CB 4.35Å; Y147-P178 HydrophobicContact CE1-CG 3.65Å
148I91.3Very high87.8Confident8 Ų888.7 Ų88.74%0.04145%0.447CS..EExtended strand (participates in β ladder)trans-137.6151.7177.556.8167.8000110.5V150 L177 R179 C182 I186I148-V150 HydrophobicContact CD1-CG1 3.59Å; I148-V150 HydrophobicContact CG1-CG1 3.88Å; I148-L177 PolarHBondContact N-O 3.36Å; I148-L177 PolarHBondContact O-N 3.33Å; I148-R179 HydrophobicContact CD1-CB 4.4Å; I148-R179 HydrophobicContact CD1-CG 4.19Å; I148-R179 HydrophobicContact CG1-CB 4.22Å; I148-R179 HydrophobicContact CG2-CB 4.15Å; I148-R179 HydrophobicContact CG2-CG 4.24Å; I148-C182 HydrophobicContact CD1-CB 3.89Å; I148-C182 HydrophobicContact CG1-CB 4.47Å; I148-I186 HydrophobicContact CD1-CD1 3.68Å
149E93.8Very high88Confident79 Ų7987.8 Ų87.837%0.36944%0.442SS..EExtended strand (participates in β ladder)trans-89.5125.3170.5-167.9173.6-161.200109.7Q174 F176 H193 I194E149-Q174 PolarHBondContact OE1-OE1 3.2Å; E149-F176 HydrophobicContact CB-CD2 4.29Å; E149-H193 PolarHBondContact O-CD2 3.2Å; E149-I194 HydrophobicContact CG-CD1 4.12Å; E149-I194 PolarHBondContact O-N 3.42Å
150V93.3Very high88.4Confident0 Ų089.2 Ų89.20%045%0.446CS..EExtended strand (participates in β ladder)trans-126143.6-176-67.60000111.2I148 Q174 H175 L177 C182 I186 L191 E192I148-V150 HydrophobicContact CD1-CG1 3.59Å; I148-V150 HydrophobicContact CG1-CG1 3.88Å; V150-Q174 CarbonylContact O-C 3.52Å; V150-Q174 VanDerWaalsContact O-CA 3.26Å; V150-Q174 WeakPolarHBondContact O-CA 3.37Å; V150-H175 HydrophobicContact CG2-CB 4.29Å; V150-H175 WeakPolarHBondContact CG2-O 3.39Å; V150-H175 PolarHBondContact N-O 3.14Å; V150-H175 PolarHBondContact O-N 3.28Å; V150-L177 HydrophobicContact CG2-CD1 4.04Å; V150-L177 HydrophobicContact CG2-CG 4.44Å; V150-C182 HydrophobicContact CG1-CB 4.3Å; V150-I186 HydrophobicContact CG1-CD1 4.19Å; V150-L191 HydrophobicContact CB-CB 4.33Å; V150-L191 HydrophobicContact CB-CD1 4.35Å; V150-L191 HydrophobicContact CG2-CD1 4.08Å; V150-L191 HydrophobicContact CG2-CD2 4.37Å; V150-E192 CarbonylContact C-O 3.59Å; V150-E192 VanDerWaalsContact CA-O 3.24Å; V150-E192 WeakPolarHBondContact CA-O 3.49Å
151R94.7Very high88.6Confident88 Ų8884.5 Ų84.533%0.33242%0.423SS..EExtended strand (participates in β ladder)trans-107.5134171.8-174.6178.2-68.1163.10.3110.5S173 Q174 L191 E192 I194R151-S173 WeakPolarHBondContact CA-O 3.48Å; R151-Q174 HydrophobicContact CB-CG 4.29Å; R151-Q174 HydrophobicContact CG-CG 4.27Å; R151-Q174 VanDerWaalsContact NH2-NE2 3.18Å; R151-L191 CarbonylContact O-C 3.53Å; R151-L191 WeakPolarHBondContact O-CA 3.4Å; R151-E192 PolarHBondContact N-O 2.92Å; R151-E192 PolarHBondContact O-N 3.24Å; R151-I194 HydrophobicContact CB-CD1 3.92Å; R151-I194 HydrophobicContact CB-CG1 4.12Å
152C94.4Very high88.6Confident0 Ų082.9 Ų82.90%042%0.421CS..EExtended strand (participates in β ladder)trans-77.3125.6172.2-57.90000111K170 N172 S173 L191C152-K170 WeakPolarHBondContact CB-O 3.5Å; C152-N172 WeakPolarHBondContact O-CA 3.36Å; C152-N172 PolarHBondContact O-N 3.47Å; C152-S173 PolarHBondContact N-O 3.32Å; C152-S173 PolarHBondContact SG-OG 2.79Å; C152-L191 HydrophobicContact CB-CD2 4.25Å; C152-L191 VanDerWaalsContact SG-CD2 3.52Å
153L92.2Very high88.4Confident72 Ų7283 Ų8338%0.37742%0.416SS..SBendtrans-88.5-23.5177.2-61.7-179.8000112.8V190 E192L153-V190 PolarHBondContact N-O 3.44Å; L153-E192 HydrophobicContact CD1-CB 4.13Å; L153-E192 HydrophobicContact CD2-CB 4.01Å; L153-E192 HydrophobicContact CG-CB 4.08Å
154K90.3Very high88.5Confident97 Ų9780.3 Ų80.342%0.42241%0.406SS..SBendtrans-144.9158.4-18058.5-168.5176.3-161.60110.4H156 Q188 G189 V190K154-H156 PolarHBondContact O-N 3.39Å; K154-Q188 PolarHBondContact NZ-O 2.92Å; K154-Q188 VanDerWaalsContact NZ-O 3.12Å; K154-G189 WeakPolarHBondContact CE-O 3.03Å; K154-V190 HydrophobicContact CG-CG1 4.46Å
155D90.3Very high88.5Confident118 Ų11874.6 Ų74.663%0.63139%0.387SS*.  trans-66.6123.9172.7-63.5-41.8000109.1K170 K171D155-K170 WeakPolarHBondContact OD1-CA 3.5Å; D155-K171 PolarHBondContact OD1-N 3.21Å
156H86.4Confident88.6Confident80 Ų8076.1 Ų76.137%0.3739%0.389SS..  trans-114.4-20.2179.7-170.374.7000112.4K154 L169 V190K154-H156 PolarHBondContact O-N 3.39Å; H156-L169 HydrophobicContact CB-CB 3.96Å; H156-L169 HydrophobicContact CB-CD1 4.23Å; H156-L169 PolarHBondContact N-O 2.98Å; H156-V190 HydrophobicContact CB-CG1 3.66Å
157G88.8Confident88.7Confident28 Ų2870.7 Ų70.729%0.28936%0.36SS..EExtended strand (participates in β ladder)trans91.9-149.8-178.400000112.2L169G157-L169 PolarHBondContact N-O 2.91Å; G157-L169 PolarHBondContact O-N 3Å
158E89.5Confident88.7Confident150 Ų15069.1 Ų69.170%0.70136%0.36SS*.EExtended strand (participates in β ladder)trans-76.1133.1-177.8-70.3175.9-172.200111.1I166 L168E158-I166 HydrophobicContact CB-CG2 3.69Å; E158-I166 HydrophobicContact CG-CG2 3.84Å; E158-L168 HydrophobicContact CG-CD1 4.3Å
159F86.6Confident88.8Confident24 Ų2468.8 Ų68.811%0.10536%0.358CS..EExtended strand (participates in β ladder)trans-128.5118.3-179.5-178.2-107000109.6I167 L169 L177 K181 L185F159-I167 WeakPolarHBondContact CB-O 3.41Å; F159-I167 PolarHBondContact N-O 3.43Å; F159-I167 PolarHBondContact O-N 3.24Å; F159-L169 HydrophobicContact CB-CD1 3.69Å; F159-L169 HydrophobicContact CB-CG 3.84Å; F159-L169 HydrophobicContact CD1-CD1 4.44Å; F159-L169 HydrophobicContact CD2-CD1 4.26Å; F159-L169 HydrophobicContact CG-CD1 3.9Å; F159-L169 HydrophobicContact CG-CG 4.46Å; F159-L177 HydrophobicContact CE1-CD1 4.31Å; F159-K181 HydrophobicContact CE1-CG 3.87Å; F159-K181 HydrophobicContact CE2-CG 4.3Å; F159-K181 HydrophobicContact CZ-CB 4.22Å; F159-K181 HydrophobicContact CZ-CG 3.36Å; F159-L185 HydrophobicContact CD2-CD1 3.77Å; F159-L185 HydrophobicContact CE2-CD1 3.39Å; F159-L185 HydrophobicContact CE2-CG 4.31Å; F159-L185 HydrophobicContact CZ-CD1 3.88Å
160E86.9Confident88.7Confident123 Ų12370.9 Ų70.958%0.57537%0.366SS*.EExtended strand (participates in β ladder)trans-97.1130.2-176-171.9177.6-177.900111.3T165 I166 K181E160-T165 WeakPolarHBondContact CA-O 3.36Å; E160-I166 HydrophobicContact CG-CG1 4.48Å; E160-K181 WeakPolarHBondContact O-CE 3.45Å
161I84.1Confident88.8Confident24 Ų2476.8 Ų76.812%0.12339%0.392CS..  trans-91.1158.5169.5-56.9163.7000108.8D163 G164 T165 I167 L177I161-D163 WeakPolarHBondContact CB-OD1 3.3Å; I161-D163 PolarHBondContact O-N 2.89Å; I161-G164 WeakPolarHBondContact O-CA 3.43Å; I161-G164 PolarHBondContact O-N 2.68Å; I161-T165 PolarHBondContact N-O 3.2Å; I161-I167 HydrophobicContact CD1-CD1 3.44Å; I161-I167 VanDerWaalsContact CD1-CD1 3.44Å; I161-I167 HydrophobicContact CD1-CG1 4.25Å; I161-I167 HydrophobicContact CG1-CD1 4.35Å; I161-L177 HydrophobicContact CD1-CD2 3.98Å
162D78.8Confident88.7Confident116 Ų11678 Ų7862%0.6241%0.405SS*.THydrogen-bonded Turntrans-59.5-19-177.5-66.66.1000114.7G164 W180 K181D162-G164 PolarHBondContact O-N 3.44Å; D162-W180 VanDerWaalsContact CG-CH2 3.48Å; D162-W180 WeakPolarHBondContact OD1-CH2 3.43Å; D162-W180 WeakPolarHBondContact OD2-CH2 3.44Å; D162-K181 IonicContact OD1-NZ 3.46Å; D162-K181 PolarHBondContact OD1-NZ 3.36Å
163D82Confident88.6Confident115 Ų11579.5 Ų79.562%0.61542%0.415SS*.THydrogen-bonded Turntrans-80.82.5173.567-3.3000113.2I161 T165I161-D163 WeakPolarHBondContact CB-OD1 3.3Å; I161-D163 PolarHBondContact O-N 2.89Å; D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 WeakPolarHBondContact OD1-CB 3.46Å; D163-T165 PolarHBondContact OD1-N 2.94Å; D163-T165 PolarHBondContact OD1-OG1 3.01Å; D163-T165 PolarHBondContact OD2-OG1 2.98Å; D163-T165 VanDerWaalsContact OD2-OG1 3.13Å
164G84.1Confident88.7Confident42 Ų4280.5 Ų80.543%0.43342%0.418SS..SBendtrans81.34.4-176.800000113.9I161 D162 I166I161-G164 WeakPolarHBondContact O-CA 3.43Å; I161-G164 PolarHBondContact O-N 2.68Å; D162-G164 PolarHBondContact O-N 3.44Å; G164-I166 PolarHBondContact O-N 3.35Å
165T86.9Confident88.9Confident65 Ų6577.8 Ų77.840%0.39941%0.407SS..  trans-72.5123.5176.8-560000110.1E160 I161 D163 I167E160-T165 WeakPolarHBondContact CA-O 3.36Å; I161-T165 PolarHBondContact N-O 3.2Å; D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 WeakPolarHBondContact OD1-CB 3.46Å; D163-T165 PolarHBondContact OD1-N 2.94Å; D163-T165 PolarHBondContact OD1-OG1 3.01Å; D163-T165 PolarHBondContact OD2-OG1 2.98Å; D163-T165 VanDerWaalsContact OD2-OG1 3.13Å; T165-I167 HydrophobicContact CG2-CG1 4.24Å
166I89.3Confident89Confident100 Ų10078.8 Ų78.851%0.51341%0.405SS..EExtended strand (participates in β ladder)trans-96.9124.1176.1-57.3174.4000109.6E158 E160 G164E158-I166 HydrophobicContact CB-CG2 3.69Å; E158-I166 HydrophobicContact CG-CG2 3.84Å; E160-I166 HydrophobicContact CG-CG1 4.48Å; G164-I166 PolarHBondContact O-N 3.35Å
167I89.3Confident89.2Confident32 Ų3275.2 Ų75.216%0.16439%0.389CS..EExtended strand (participates in β ladder)trans-114.8131.4178.8-58.6-178.4000109.2F159 I161 T165 L169 H175 L177F159-I167 WeakPolarHBondContact CB-O 3.41Å; F159-I167 PolarHBondContact N-O 3.43Å; F159-I167 PolarHBondContact O-N 3.24Å; I161-I167 HydrophobicContact CD1-CD1 3.44Å; I161-I167 VanDerWaalsContact CD1-CD1 3.44Å; I161-I167 HydrophobicContact CD1-CG1 4.25Å; I161-I167 HydrophobicContact CG1-CD1 4.35Å; T165-I167 HydrophobicContact CG2-CG1 4.24Å; I167-L169 HydrophobicContact CG2-CD2 4.14Å; I167-L169 PolarHBondContact O-N 3.26Å; I167-H175 WeakPolarHBondContact CG2-ND1 3.4Å; I167-L177 HydrophobicContact CD1-CD2 3.41Å; I167-L177 VanDerWaalsContact CD1-CD2 3.41Å
168L90.8Very high89.3Confident91 Ų9174.6 Ų74.648%0.47638%0.38SS..EExtended strand (participates in β ladder)trans-89.3108.8177.4-173.561.2000110.7E158 K170E158-L168 HydrophobicContact CG-CD1 4.3Å; L168-K170 HydrophobicContact CD2-CD 4.41Å; L168-K170 HydrophobicContact CD2-CG 4.31Å; L168-K170 HydrophobicContact CG-CG 4.08Å; L168-K170 PolarHBondContact O-N 2.6Å
169L92.1Very high89.2Confident1 Ų169.3 Ų69.31%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-85.392.3179.3-61.6-176.6000110.6H156 G157 F159 I167 L185 L191H156-L169 HydrophobicContact CB-CB 3.96Å; H156-L169 HydrophobicContact CB-CD1 4.23Å; H156-L169 PolarHBondContact N-O 2.98Å; G157-L169 PolarHBondContact N-O 2.91Å; G157-L169 PolarHBondContact O-N 3Å; F159-L169 HydrophobicContact CB-CD1 3.69Å; F159-L169 HydrophobicContact CB-CG 3.84Å; F159-L169 HydrophobicContact CD1-CD1 4.44Å; F159-L169 HydrophobicContact CD2-CD1 4.26Å; F159-L169 HydrophobicContact CG-CD1 3.9Å; F159-L169 HydrophobicContact CG-CG 4.46Å; I167-L169 HydrophobicContact CG2-CD2 4.14Å; I167-L169 PolarHBondContact O-N 3.26Å; L169-L185 HydrophobicContact CD1-CD1 3.97Å; L169-L191 HydrophobicContact CD1-CD2 4.42Å
170K92.9Very high89.1Confident123 Ų12373.4 Ų73.454%0.53537%0.368SS..  trans-95.3148.6172.6-63.4-167.3-176.9-179.10111.7C152 D155 L168 N172 S173C152-K170 WeakPolarHBondContact CB-O 3.5Å; D155-K170 WeakPolarHBondContact OD1-CA 3.5Å; L168-K170 HydrophobicContact CD2-CD 4.41Å; L168-K170 HydrophobicContact CD2-CG 4.31Å; L168-K170 HydrophobicContact CG-CG 4.08Å; L168-K170 PolarHBondContact O-N 2.6Å; K170-N172 PolarHBondContact O-N 3.49Å; K170-S173 PolarHBondContact N-OG 2.81Å; K170-S173 VanDerWaalsContact O-CB 3.3Å; K170-S173 WeakPolarHBondContact O-CB 3.48Å; K170-S173 PolarHBondContact O-N 2.97Å; K170-S173 PolarHBondContact O-OG 3.21Å
171K93.9Very high89.1Confident124 Ų12470.3 Ų70.354%0.53935%0.353SS..THydrogen-bonded Turntrans-50.3135.1175.1-175.2173.7-175.1-177.80111.5D155 S173D155-K171 PolarHBondContact OD1-N 3.21Å; K171-S173 PolarHBondContact O-N 3.48Å
172N92.6Very high89.3Confident113 Ų11369.1 Ų69.160%0.60435%0.347SS*.THydrogen-bonded Turntrans64.64-177.1-56.9-29.3000116.1C152 K170C152-N172 WeakPolarHBondContact O-CA 3.36Å; C152-N172 PolarHBondContact O-N 3.47Å; K170-N172 PolarHBondContact O-N 3.49Å
173S93.8Very high89.6Confident32 Ų3264.4 Ų64.422%0.22432%0.321CS..  trans-73.3151.5169670000111.1R151 C152 K170 K171 H175R151-S173 WeakPolarHBondContact CA-O 3.48Å; C152-S173 PolarHBondContact N-O 3.32Å; C152-S173 PolarHBondContact SG-OG 2.79Å; K170-S173 PolarHBondContact N-OG 2.81Å; K170-S173 VanDerWaalsContact O-CB 3.3Å; K170-S173 WeakPolarHBondContact O-CB 3.48Å; K170-S173 PolarHBondContact O-N 2.97Å; K170-S173 PolarHBondContact O-OG 3.21Å; K171-S173 PolarHBondContact O-N 3.48Å; S173-H175 PolarHBondContact OG-NE2 2.95Å
174Q94.3Very high89.7Confident93 Ų9363.5 Ų63.544%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-120139.4178.9-63.8179.226.300109.5E149 V150 R151 I194E149-Q174 PolarHBondContact OE1-OE1 3.2Å; V150-Q174 CarbonylContact O-C 3.52Å; V150-Q174 VanDerWaalsContact O-CA 3.26Å; V150-Q174 WeakPolarHBondContact O-CA 3.37Å; R151-Q174 HydrophobicContact CB-CG 4.29Å; R151-Q174 HydrophobicContact CG-CG 4.27Å; R151-Q174 VanDerWaalsContact NH2-NE2 3.18Å; Q174-I194 HydrophobicContact CG-CD1 3.91Å
175H92.8Very high89.8Confident39 Ų3962 Ų6218%0.18130%0.295CS..EExtended strand (participates in β ladder)trans-139.3146.6-176.6-57.2-85000109.9V150 I167 S173 L177V150-H175 HydrophobicContact CG2-CB 4.29Å; V150-H175 WeakPolarHBondContact CG2-O 3.39Å; V150-H175 PolarHBondContact N-O 3.14Å; V150-H175 PolarHBondContact O-N 3.28Å; I167-H175 WeakPolarHBondContact CG2-ND1 3.4Å; S173-H175 PolarHBondContact OG-NE2 2.95Å; H175-L177 HydrophobicContact CB-CD1 3.88Å; H175-L177 HydrophobicContact CB-CD2 4.29Å; H175-L177 HydrophobicContact CB-CG 3.79Å
176F92.4Very high89.9Confident139 Ų13961.4 Ų61.461%0.6129%0.289SS*.EExtended strand (participates in β ladder)trans-105.1106.4172.8-171.7-109.7000108.8Y147 E149Y147-F176 VanDerWaalsContact CB-CE1 3.41Å; Y147-F176 HydrophobicContact CD1-CD1 4.07Å; Y147-F176 AromaticContact CD1-CE1 3.87Å; Y147-F176 HydrophobicContact CD1-CE1 3.87Å; Y147-F176 HydrophobicContact CG-CD1 4.41Å; Y147-F176 AromaticContact CG-CE1 3.78Å; Y147-F176 HydrophobicContact CG-CE1 3.78Å; Y147-F176 HydrophobicContact CG-CZ 4.1Å; E149-F176 HydrophobicContact CB-CD2 4.29Å
177L91.4Very high89.5Confident6 Ų660.2 Ų60.23%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-130.8156.2-166.1-63.1178.3000111.6Y147 I148 V150 F159 I161 I167 H175 R179 C182Y147-L177 WeakPolarHBondContact CA-O 3.46Å; I148-L177 PolarHBondContact N-O 3.36Å; I148-L177 PolarHBondContact O-N 3.33Å; V150-L177 HydrophobicContact CG2-CD1 4.04Å; V150-L177 HydrophobicContact CG2-CG 4.44Å; F159-L177 HydrophobicContact CE1-CD1 4.31Å; I161-L177 HydrophobicContact CD1-CD2 3.98Å; I167-L177 HydrophobicContact CD1-CD2 3.41Å; I167-L177 VanDerWaalsContact CD1-CD2 3.41Å; H175-L177 HydrophobicContact CB-CD1 3.88Å; H175-L177 HydrophobicContact CB-CD2 4.29Å; H175-L177 HydrophobicContact CB-CG 3.79Å; L177-R179 PolarHBondContact O-N 2.95Å; L177-C182 WeakPolarHBondContact CB-SG 3.28Å
178P90.4Very high89.3Confident14 Ų1461.8 Ų61.89%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-57.6131.6171.5-20.830.9000111Y147 W180 K181 C182Y147-P178 HydrophobicContact CD1-CG 4.22Å; Y147-P178 HydrophobicContact CE1-CB 4.35Å; Y147-P178 HydrophobicContact CE1-CG 3.65Å; P178-W180 VanDerWaalsContact C-N 3.35Å; P178-W180 HydrophobicContact CB-CG 4.49Å; P178-W180 HydrophobicContact CB-CZ2 4.48Å; P178-W180 PolarHBondContact O-N 3.02Å; P178-K181 PolarHBondContact O-N 3.35Å; P178-C182 PolarHBondContact O-N 2.84Å; P178-C182 PolarHBondContact O-SG 3.28Å; P178-C182 VanDerWaalsContact O-SG 3.35Å
179R88.1Confident89.1Confident39 Ų3959 Ų5915%0.14728%0.279CS..Hα-helixtrans-57.5-47-174.9178.8-179.5178.3120.3-3112.6L146 I148 L177 K181 C182 E183L146-R179 PolarHBondContact O-N 2.9Å; I148-R179 HydrophobicContact CD1-CB 4.4Å; I148-R179 HydrophobicContact CD1-CG 4.19Å; I148-R179 HydrophobicContact CG1-CB 4.22Å; I148-R179 HydrophobicContact CG2-CB 4.15Å; I148-R179 HydrophobicContact CG2-CG 4.24Å; L177-R179 PolarHBondContact O-N 2.95Å; R179-K181 PolarHBondContact O-N 3.2Å; R179-C182 PolarHBondContact O-N 3.12Å; R179-E183 HydrophobicContact CG-CG 4.26Å; R179-E183 IonicContact CZ-OE1 2.75Å; R179-E183 IonicContact NE-OE1 3.7Å; R179-E183 PolarHBondContact NE-OE1 3.28Å; R179-E183 VanDerWaalsContact NE-OE1 3.14Å; R179-E183 IonicContact NH2-OE1 3.5Å; R179-E183 VanDerWaalsContact O-CG 3.3Å; R179-E183 WeakPolarHBondContact O-CG 3.47Å; R179-E183 PolarHBondContact O-N 2.94Å; R179-E183 VanDerWaalsContact O-N 3.12Å
180W84.2Confident89Confident110 Ų11059.1 Ų59.142%0.41728%0.279SS..Hα-helixtrans-58-32.6-175.363.6-94.3000112.2D162 P178D162-W180 VanDerWaalsContact CG-CH2 3.48Å; D162-W180 WeakPolarHBondContact OD1-CH2 3.43Å; D162-W180 WeakPolarHBondContact OD2-CH2 3.44Å; P178-W180 VanDerWaalsContact C-N 3.35Å; P178-W180 HydrophobicContact CB-CG 4.49Å; P178-W180 HydrophobicContact CB-CZ2 4.48Å; P178-W180 PolarHBondContact O-N 3.02Å
181K86.6Confident88.9Confident58 Ų5853.4 Ų53.425%0.25226%0.255SS..Hα-helixtrans-78.4-26.9176.1-153.588177.5-175.20112.9F159 E160 D162 P178 R179F159-K181 HydrophobicContact CE1-CG 3.87Å; F159-K181 HydrophobicContact CE2-CG 4.3Å; F159-K181 HydrophobicContact CZ-CB 4.22Å; F159-K181 HydrophobicContact CZ-CG 3.36Å; E160-K181 WeakPolarHBondContact O-CE 3.45Å; D162-K181 IonicContact OD1-NZ 3.46Å; D162-K181 PolarHBondContact OD1-NZ 3.36Å; P178-K181 PolarHBondContact O-N 3.35Å; R179-K181 PolarHBondContact O-N 3.2Å
182C88.3Confident88.8Confident0 Ų052 Ų520%025%0.25CC..Hα-helixtrans-84.1-24-177.5-63.50000113.5I148 V150 L177 P178 R179 Q184 L185 I186 L191I148-C182 HydrophobicContact CD1-CB 3.89Å; I148-C182 HydrophobicContact CG1-CB 4.47Å; V150-C182 HydrophobicContact CG1-CB 4.3Å; L177-C182 WeakPolarHBondContact CB-SG 3.28Å; P178-C182 PolarHBondContact O-N 2.84Å; P178-C182 PolarHBondContact O-SG 3.28Å; P178-C182 VanDerWaalsContact O-SG 3.35Å; R179-C182 PolarHBondContact O-N 3.12Å; C182-Q184 VanDerWaalsContact C-N 3.31Å; C182-Q184 PolarHBondContact O-N 3.09Å; C182-L185 PolarHBondContact O-N 3.11Å; C182-L185 VanDerWaalsContact O-N 3.12Å; C182-I186 HydrophobicContact CB-CD1 3.96Å; C182-I186 HydrophobicContact CB-CG1 4.46Å; C182-I186 VanDerWaalsContact O-CG1 3.31Å; C182-I186 WeakPolarHBondContact O-CG1 3.49Å; C182-I186 PolarHBondContact O-N 2.68Å; C182-L191 HydrophobicContact CB-CD1 4.21Å
183E84.8Confident88.7Confident17 Ų1749.8 Ų49.88%0.07924%0.236CC..Hα-helixtrans-56.2-43.2-170.1-63.4-145.7147.600113.3D139 R179 I186 R187D139-E183 PolarHBondContact N-OE2 2.94Å; R179-E183 HydrophobicContact CG-CG 4.26Å; R179-E183 IonicContact CZ-OE1 2.75Å; R179-E183 IonicContact NE-OE1 3.7Å; R179-E183 PolarHBondContact NE-OE1 3.28Å; R179-E183 VanDerWaalsContact NE-OE1 3.14Å; R179-E183 IonicContact NH2-OE1 3.5Å; R179-E183 VanDerWaalsContact O-CG 3.3Å; R179-E183 WeakPolarHBondContact O-CG 3.47Å; R179-E183 PolarHBondContact O-N 2.94Å; R179-E183 VanDerWaalsContact O-N 3.12Å; E183-I186 PolarHBondContact O-N 3.09Å; E183-R187 WeakPolarHBondContact O-CG 3.12Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 IonicContact OE2-NH2 3.36Å
184Q83.9Confident88.5Confident95 Ų9550 Ų5044%0.44423%0.234SC..Hα-helixtrans-63.8-45.5178.7-68.2-171.20.400111.9C182 I186 R187 Q188C182-Q184 VanDerWaalsContact C-N 3.31Å; C182-Q184 PolarHBondContact O-N 3.09Å; Q184-I186 VanDerWaalsContact C-N 3.32Å; Q184-I186 PolarHBondContact O-N 3.38Å; Q184-R187 PolarHBondContact O-N 2.65Å; Q184-Q188 WeakPolarHBondContact O-CG 3.49Å; Q184-Q188 PolarHBondContact O-N 3.13Å
185L87.7Confident87.5Confident11 Ų1153.2 Ų53.26%0.05825%0.251CS..Hα-helixtrans-68.8-31.9-179.8-68-176.5000112.4F159 L169 C182 Q188 G189 V190 L191F159-L185 HydrophobicContact CD2-CD1 3.77Å; F159-L185 HydrophobicContact CE2-CD1 3.39Å; F159-L185 HydrophobicContact CE2-CG 4.31Å; F159-L185 HydrophobicContact CZ-CD1 3.88Å; L169-L185 HydrophobicContact CD1-CD1 3.97Å; C182-L185 PolarHBondContact O-N 3.11Å; C182-L185 VanDerWaalsContact O-N 3.12Å; L185-Q188 PolarHBondContact O-N 2.86Å; L185-G189 PolarHBondContact O-N 3.42Å; L185-V190 HydrophobicContact CB-CB 4.16Å; L185-V190 HydrophobicContact CD2-CB 4.29Å; L185-V190 HydrophobicContact CD2-CG1 4.41Å; L185-V190 HydrophobicContact CD2-CG2 4.16Å; L185-V190 WeakPolarHBondContact O-CB 3.49Å; L185-V190 PolarHBondContact O-N 3.28Å; L185-L191 HydrophobicContact CB-CB 4.36Å; L185-L191 HydrophobicContact CB-CD1 3.67Å; L185-L191 HydrophobicContact CB-CG 3.82Å; L185-L191 HydrophobicContact CD1-CD1 3.82Å; L185-L191 HydrophobicContact CD1-CG 4.31Å; L185-L191 HydrophobicContact CG-CD1 4.42Å; L185-L191 PolarHBondContact O-N 3.44Å
186I88.2Confident85.6Confident53 Ų5359.8 Ų59.827%0.27230%0.302SS..Hα-helixtrans-64.2-47172.3-68.3166.4000110.1I148 V150 C182 E183 Q184 Q188 G189 L191 H193I148-I186 HydrophobicContact CD1-CD1 3.68Å; V150-I186 HydrophobicContact CG1-CD1 4.19Å; C182-I186 HydrophobicContact CB-CD1 3.96Å; C182-I186 HydrophobicContact CB-CG1 4.46Å; C182-I186 VanDerWaalsContact O-CG1 3.31Å; C182-I186 WeakPolarHBondContact O-CG1 3.49Å; C182-I186 PolarHBondContact O-N 2.68Å; E183-I186 PolarHBondContact O-N 3.09Å; Q184-I186 VanDerWaalsContact C-N 3.32Å; Q184-I186 PolarHBondContact O-N 3.38Å; I186-Q188 VanDerWaalsContact C-N 3.28Å; I186-Q188 PolarHBondContact O-N 3.3Å; I186-G189 PolarHBondContact O-N 3.41Å; I186-L191 WeakPolarHBondContact CA-O 3.06Å; I186-L191 HydrophobicContact CG1-CB 3.78Å; I186-H193 HydrophobicContact CD1-CB 4.29Å
187R82.2Confident85.3Confident75 Ų7555.9 Ų55.928%0.28329%0.286SS..Hα-helixtrans-62.9-33.7178-70.7-178.1-157.5-175.111.9113.2W92 E93 T137 E183 Q184 G189W92-R187 PolarHBondContact O-NH1 2.98Å; E93-R187 WeakPolarHBondContact O-CB 3.4Å; T137-R187 VanDerWaalsContact O-CZ 3.26Å; T137-R187 PolarHBondContact O-NH1 3.4Å; T137-R187 PolarHBondContact O-NH2 2.97Å; E183-R187 WeakPolarHBondContact O-CG 3.12Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 IonicContact OE2-NH2 3.36Å; Q184-R187 PolarHBondContact O-N 2.65Å; R187-G189 PolarHBondContact O-N 2.91Å
188Q83.5Confident85Confident64 Ų6458.5 Ų58.530%0.29930%0.3SS..THydrogen-bonded Turntrans-77.20.2175.4-67.8172.61000113.9K154 Q184 L185 I186 V190K154-Q188 PolarHBondContact NZ-O 2.92Å; K154-Q188 VanDerWaalsContact NZ-O 3.12Å; Q184-Q188 WeakPolarHBondContact O-CG 3.49Å; Q184-Q188 PolarHBondContact O-N 3.13Å; L185-Q188 PolarHBondContact O-N 2.86Å; I186-Q188 VanDerWaalsContact C-N 3.28Å; I186-Q188 PolarHBondContact O-N 3.3Å; Q188-V190 HydrophobicContact CB-CG2 4.04Å; Q188-V190 PolarHBondContact O-N 3.38Å
189G86.8Confident84.7Confident34 Ų3460.9 Ų60.935%0.35131%0.311SS..THydrogen-bonded Turntrans63.128.7-176.400000113.1K154 L185 I186 R187K154-G189 WeakPolarHBondContact CE-O 3.03Å; L185-G189 PolarHBondContact O-N 3.42Å; I186-G189 PolarHBondContact O-N 3.41Å; R187-G189 PolarHBondContact O-N 2.91Å
190V89.6Confident84.5Confident3 Ų362.2 Ų62.22%0.01832%0.321CS..SBendtrans-84.4-43.7170.8179.20000109.8L153 K154 H156 L185 Q188L153-V190 PolarHBondContact N-O 3.44Å; K154-V190 HydrophobicContact CG-CG1 4.46Å; H156-V190 HydrophobicContact CB-CG1 3.66Å; L185-V190 HydrophobicContact CB-CB 4.16Å; L185-V190 HydrophobicContact CD2-CB 4.29Å; L185-V190 HydrophobicContact CD2-CG1 4.41Å; L185-V190 HydrophobicContact CD2-CG2 4.16Å; L185-V190 WeakPolarHBondContact O-CB 3.49Å; L185-V190 PolarHBondContact O-N 3.28Å; Q188-V190 HydrophobicContact CB-CG2 4.04Å; Q188-V190 PolarHBondContact O-N 3.38Å
191L91.8Very high84.5Confident3 Ų359.3 Ų59.32%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-113.8149.4-179.9-63-179.8000110.5V150 R151 C152 L169 C182 L185 I186V150-L191 HydrophobicContact CB-CB 4.33Å; V150-L191 HydrophobicContact CB-CD1 4.35Å; V150-L191 HydrophobicContact CG2-CD1 4.08Å; V150-L191 HydrophobicContact CG2-CD2 4.37Å; R151-L191 CarbonylContact O-C 3.53Å; R151-L191 WeakPolarHBondContact O-CA 3.4Å; C152-L191 HydrophobicContact CB-CD2 4.25Å; C152-L191 VanDerWaalsContact SG-CD2 3.52Å; L169-L191 HydrophobicContact CD1-CD2 4.42Å; C182-L191 HydrophobicContact CB-CD1 4.21Å; L185-L191 HydrophobicContact CB-CB 4.36Å; L185-L191 HydrophobicContact CB-CD1 3.67Å; L185-L191 HydrophobicContact CB-CG 3.82Å; L185-L191 HydrophobicContact CD1-CD1 3.82Å; L185-L191 HydrophobicContact CD1-CG 4.31Å; L185-L191 HydrophobicContact CG-CD1 4.42Å; L185-L191 PolarHBondContact O-N 3.44Å; I186-L191 WeakPolarHBondContact CA-O 3.06Å; I186-L191 HydrophobicContact CG1-CB 3.78Å
192E92.6Very high84.3Confident93 Ų9359.3 Ų59.344%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-118.6129.9169.5-179.5175.8-136.900108.6V150 R151 L153 I194V150-E192 CarbonylContact C-O 3.59Å; V150-E192 VanDerWaalsContact CA-O 3.24Å; V150-E192 WeakPolarHBondContact CA-O 3.49Å; R151-E192 PolarHBondContact N-O 2.92Å; R151-E192 PolarHBondContact O-N 3.24Å; L153-E192 HydrophobicContact CD1-CB 4.13Å; L153-E192 HydrophobicContact CD2-CB 4.01Å; L153-E192 HydrophobicContact CG-CB 4.08Å; E192-I194 PolarHBondContact O-N 2.87Å
193H90.4Very high84.1Confident68 Ų6863.6 Ų63.632%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-74.8117.4172.9177.8-141.2000109.2E149 I186 M195E149-H193 PolarHBondContact O-CD2 3.2Å; I186-H193 HydrophobicContact CD1-CB 4.29Å; H193-M195 PolarHBondContact O-N 3.06Å; H193-M195 VanDerWaalsContact O-N 3.13Å
194I89.1Confident84Confident37 Ų3767.2 Ų67.219%0.1936%0.362CS..  trans-76.8102173.1-60.9168.1000106.3E149 R151 Q174 E192 S196E149-I194 HydrophobicContact CG-CD1 4.12Å; E149-I194 PolarHBondContact O-N 3.42Å; R151-I194 HydrophobicContact CB-CD1 3.92Å; R151-I194 HydrophobicContact CB-CG1 4.12Å; Q174-I194 HydrophobicContact CG-CD1 3.91Å; E192-I194 PolarHBondContact O-N 2.87Å; I194-S196 PolarHBondContact O-N 3.49Å
195M72.1Confident84Confident159 Ų15964.8 Ų64.878%0.78336%0.355SS*.  trans-72.2113.9172.3-62.2-152.8-5400108.6H193H193-M195 PolarHBondContact O-N 3.06Å; H193-M195 VanDerWaalsContact O-N 3.13Å
196S54.4Low83.7Confident178 Ų17869.7 Ų69.7100%1.24538%0.382SS*.  trans-870156.135.90000110.5I194I194-S196 PolarHBondContact O-N 3.49Å

Retrieved 196 of 196 residues in 1502.4 ms (Link to these results)

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