A0A3Q0KGP0_SCHMA Loading...

DUF2012 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 233 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
1M76.4Confident86.5Confident151 Ų15177.9 Ų77.974%0.74444%0.442SS*.  0127.70-176.2178.8176.200108.8
2P79.5Confident87Confident1 Ų179.9 Ų79.91%0.00645%0.45CS..  trans-65.3140.5171.4-1124.9000110.1E4 A5 W9 Y51 F53P2-E4 PolarHBondContact O-N 3.03Å; P2-A5 HydrophobicContact CB-CB 3.89Å; P2-A5 HydrophobicContact CG-CB 3.88Å; P2-A5 WeakPolarHBondContact O-CB 3.13Å; P2-A5 PolarHBondContact O-N 3.28Å; P2-W9 HydrophobicContact CG-CE3 4.31Å; P2-Y51 HydrophobicContact CB-CD1 3.55Å; P2-Y51 HydrophobicContact CB-CD2 4.37Å; P2-Y51 HydrophobicContact CB-CE1 3.56Å; P2-Y51 HydrophobicContact CB-CE2 4.38Å; P2-Y51 HydrophobicContact CB-CG 3.99Å; P2-Y51 HydrophobicContact CG-CD1 3.83Å; P2-Y51 HydrophobicContact CG-CD2 3.84Å; P2-Y51 HydrophobicContact CG-CE1 4.12Å; P2-Y51 HydrophobicContact CG-CE2 4.13Å; P2-Y51 HydrophobicContact CG-CG 3.7Å; P2-F53 HydrophobicContact CG-CZ 4.22Å
3P79Confident87.6Confident137 Ų13774 Ų7489%0.8942%0.417SS*.THydrogen-bonded Turntrans-65.7-24.7-171.724.4-33.8000114.1
4E84.4Confident88.2Confident127 Ų12777 Ų7759%0.59342%0.418SS*.THydrogen-bonded Turntrans-115.328.7-177.8-156.7-170155.600111.5P2 Y51 R93P2-E4 PolarHBondContact O-N 3.03Å; E4-Y51 PolarHBondContact O-OH 2.96Å; E4-R93 IonicContact OE1-CZ 2.69Å; E4-R93 IonicContact OE1-NH1 3.42Å; E4-R93 PolarHBondContact OE1-NH1 3.2Å; E4-R93 IonicContact OE1-NH2 3.37Å; E4-R93 PolarHBondContact OE1-NH2 3.29Å; E4-R93 IonicContact OE2-CZ 3.22Å; E4-R93 IonicContact OE2-NE 3.56Å; E4-R93 IonicContact OE2-NH1 3.37Å; E4-R93 IonicContact OE2-NH2 4Å; E4-R93 PolarHBondContact OE2-NH2 3.29Å
5A84.9Confident88.7Confident17 Ų1771.9 Ų71.914%0.1439%0.391CS..  trans-82.9135.3-177.500000112.9P2 W9 Y51P2-A5 HydrophobicContact CB-CB 3.89Å; P2-A5 HydrophobicContact CG-CB 3.88Å; P2-A5 WeakPolarHBondContact O-CB 3.13Å; P2-A5 PolarHBondContact O-N 3.28Å; A5-W9 HydrophobicContact CB-CB 3.9Å; A5-W9 HydrophobicContact CB-CD2 4.46Å; A5-W9 HydrophobicContact CB-CG 3.78Å; A5-Y51 VanDerWaalsContact CA-OH 3.25Å; A5-Y51 WeakPolarHBondContact CA-OH 3.41Å; A5-Y51 HydrophobicContact CB-CE2 4.09Å
6P89.2Confident89.2Confident61 Ų6167.6 Ų67.640%0.39637%0.367SS..  trans-66.4157.3167.633.5-37000109.8D8 W9P6-D8 VanDerWaalsContact CB-OD1 3.25Å; P6-D8 WeakPolarHBondContact CB-OD1 3.39Å; P6-D8 WeakPolarHBondContact CG-OD1 3.46Å; P6-D8 PolarHBondContact O-N 3.13Å; P6-D8 VanDerWaalsContact O-N 3.13Å; P6-W9 HydrophobicContact CG-CB 4.44Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.34Å; P6-W9 VanDerWaalsContact O-N 3.08Å
7P88.5Confident89.6Confident117 Ų11764.4 Ų64.476%0.7635%0.349SS*.THydrogen-bonded Turntrans-60.9-26-173.623.4-33.8000113.9H10P7-H10 PolarHBondContact O-CE1 3.05Å; P7-H10 VanDerWaalsContact O-CE1 3.28Å; P7-H10 PolarHBondContact O-ND1 2.63Å
8D91.1Very high89.7Confident84 Ų8462.4 Ų62.445%0.44934%0.343SS..THydrogen-bonded Turntrans-88.85.318065.9-29.8000114P6 H10 V11P6-D8 VanDerWaalsContact CB-OD1 3.25Å; P6-D8 WeakPolarHBondContact CB-OD1 3.39Å; P6-D8 WeakPolarHBondContact CG-OD1 3.46Å; P6-D8 PolarHBondContact O-N 3.13Å; P6-D8 VanDerWaalsContact O-N 3.13Å; D8-H10 PolarHBondContact O-N 2.89Å; D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 WeakPolarHBondContact O-CB 3.12Å; D8-V11 WeakPolarHBondContact O-CG2 3.31Å; D8-V11 PolarHBondContact O-N 2.91Å
9W91.5Very high89.7Confident20 Ų2062.3 Ų62.38%0.07636%0.358CS..G310 helixtrans-53.1-31.7-177.676.2-82.2000113.9P2 A5 P6 V11 N12 T13 V26 N48 Y51 F53P2-W9 HydrophobicContact CG-CE3 4.31Å; A5-W9 HydrophobicContact CB-CB 3.9Å; A5-W9 HydrophobicContact CB-CD2 4.46Å; A5-W9 HydrophobicContact CB-CG 3.78Å; P6-W9 HydrophobicContact CG-CB 4.44Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.34Å; P6-W9 VanDerWaalsContact O-N 3.08Å; W9-V11 VanDerWaalsContact C-N 3.29Å; W9-V11 PolarHBondContact O-N 3.11Å; W9-N12 PolarHBondContact O-N 2.98Å; W9-T13 HydrophobicContact CZ3-CG2 4.06Å; W9-T13 PolarHBondContact O-OG1 3.43Å; W9-V26 HydrophobicContact CH2-CG1 3.98Å; W9-V26 HydrophobicContact CZ2-CG1 4.32Å; W9-N48 PolarHBondContact O-ND2 3.31Å; W9-Y51 HydrophobicContact CB-CE2 4.48Å; W9-F53 HydrophobicContact CZ3-CZ 4.01Å
10H92.8Very high89.8Confident41 Ų4163.3 Ų63.319%0.1936%0.362CS..G310 helixtrans-65.9-28.5-179.764.4-83.5000112.6P7 D8 N12 T13 V26P7-H10 PolarHBondContact O-CE1 3.05Å; P7-H10 VanDerWaalsContact O-CE1 3.28Å; P7-H10 PolarHBondContact O-ND1 2.63Å; D8-H10 PolarHBondContact O-N 2.89Å; H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.91Å; H10-T13 WeakPolarHBondContact O-CB 3.21Å; H10-T13 PolarHBondContact O-N 2.85Å; H10-V26 HydrophobicContact CB-CB 4.3Å; H10-V26 HydrophobicContact CB-CG1 4.14Å
11V93.8Very high90Very high101 Ų10167 Ų6761%0.61238%0.376SS*.G310 helixtrans-61.9-37.6-179.9179.60000111.5D8 W9 T13D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 WeakPolarHBondContact O-CB 3.12Å; D8-V11 WeakPolarHBondContact O-CG2 3.31Å; D8-V11 PolarHBondContact O-N 2.91Å; W9-V11 VanDerWaalsContact C-N 3.29Å; W9-V11 PolarHBondContact O-N 3.11Å; V11-T13 VanDerWaalsContact C-N 3.3Å
12N93.1Very high90.9Very high102 Ų10262.1 Ų62.155%0.54535%0.351SS..G310 helixtrans-93.914.5179.3-64.2-33.7000112.7W9 H10 P49W9-N12 PolarHBondContact O-N 2.98Å; H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.91Å; N12-P49 HydrophobicContact CB-CG 4.04Å; N12-P49 WeakPolarHBondContact O-CD 3.26Å
13T95Very high91.7Very high3 Ų365.3 Ų65.32%0.01837%0.37CS..  trans-113.3124.5-178.1-52.50000110.8W9 H10 V11 V26 V46 I47 N48W9-T13 HydrophobicContact CZ3-CG2 4.06Å; W9-T13 PolarHBondContact O-OG1 3.43Å; H10-T13 WeakPolarHBondContact O-CB 3.21Å; H10-T13 PolarHBondContact O-N 2.85Å; V11-T13 VanDerWaalsContact C-N 3.3Å; T13-V26 HydrophobicContact CG2-CB 4.46Å; T13-V26 HydrophobicContact CG2-CG2 3.62Å; T13-V46 HydrophobicContact CG2-CG1 3.34Å; T13-I47 WeakPolarHBondContact CA-O 3.21Å; T13-N48 HydrophobicContact CG2-CB 4.41Å; T13-N48 PolarHBondContact OG1-ND2 3.06Å
14R95.3Very high92.5Very high116 Ų11659 Ų5944%0.43833%0.33SS..EExtended strand (participates in β ladder)trans-122.1151.4172.464.7-178.7-171.8-140.27.3110.7N16 V23 I47R14-N16 WeakPolarHBondContact CD-OD1 3.34Å; R14-N16 WeakPolarHBondContact CG-OD1 3.13Å; R14-N16 PolarHBondContact NE-ND2 3.47Å; R14-V23 HydrophobicContact CB-CG1 4.47Å; R14-I47 HydrophobicContact CG-CB 3.79Å; R14-I47 HydrophobicContact CG-CG1 4.43Å; R14-I47 HydrophobicContact CG-CG2 4.41Å; R14-I47 PolarHBondContact N-O 3.31Å; R14-I47 PolarHBondContact O-N 2.94Å
15I96.4Very high93Very high0 Ų060.2 Ų60.20%033%0.333CS..EExtended strand (participates in β ladder)trans-105.4119.3174.2-63.2127.8000107.8I17 V23 G24 V26 F32 V34 V44 E45 V46I15-I17 HydrophobicContact CG2-CG1 4.25Å; I15-V23 CarbonylContact O-C 3.57Å; I15-V23 WeakPolarHBondContact O-CA 3.47Å; I15-G24 PolarHBondContact N-O 2.87Å; I15-G24 PolarHBondContact O-N 3.5Å; I15-V26 HydrophobicContact CD1-CG2 3.61Å; I15-V26 HydrophobicContact CG1-CG2 4.16Å; I15-F32 HydrophobicContact CD1-CB 3.15Å; I15-F32 HydrophobicContact CD1-CD1 4.15Å; I15-F32 HydrophobicContact CD1-CD2 3.46Å; I15-F32 VanDerWaalsContact CD1-CD2 3.46Å; I15-F32 HydrophobicContact CD1-CE2 4.35Å; I15-F32 HydrophobicContact CD1-CG 3.33Å; I15-F32 HydrophobicContact CG1-CB 4.41Å; I15-F32 HydrophobicContact CG1-CD2 4.09Å; I15-F32 HydrophobicContact CG1-CG 4.17Å; I15-F32 HydrophobicContact CG2-CD2 4.42Å; I15-F32 HydrophobicContact CG2-CE2 4.36Å; I15-V34 HydrophobicContact CG2-CG2 4.18Å; I15-V44 HydrophobicContact CG2-CG1 3.68Å; I15-E45 CarbonylContact C-O 3.56Å; I15-E45 WeakPolarHBondContact CA-O 3.21Å; I15-V46 HydrophobicContact CG1-CG2 4.21Å
16N96.2Very high93.5Very high4 Ų460 Ų602%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-105.5129.8180-69.36.8000108.2R14 D20 E45 I47R14-N16 WeakPolarHBondContact CD-OD1 3.34Å; R14-N16 WeakPolarHBondContact CG-OD1 3.13Å; R14-N16 PolarHBondContact NE-ND2 3.47Å; N16-D20 VanDerWaalsContact CB-OD1 3.3Å; N16-D20 WeakPolarHBondContact CB-OD1 3.43Å; N16-D20 PolarHBondContact ND2-OD1 3.25Å; N16-D20 PolarHBondContact ND2-OD2 2.78Å; N16-E45 PolarHBondContact N-O 2.87Å; N16-E45 PolarHBondContact O-N 3.21Å; N16-I47 HydrophobicContact CB-CG1 4.16Å; N16-I47 WeakPolarHBondContact ND2-CG1 3.38Å
17I96.4Very high93.7Very high12 Ų1262.7 Ų62.76%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-119.8130.7176.6-51.2-173.3000108.3I15 G19 D20 Q21 F22 V34 V37 Y42 I43 V44I15-I17 HydrophobicContact CG2-CG1 4.25Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 2.89Å; I17-D20 PolarHBondContact O-N 2.96Å; I17-Q21 PolarHBondContact O-N 2.94Å; I17-F22 HydrophobicContact CB-CB 4.1Å; I17-F22 HydrophobicContact CB-CD2 4.49Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; I17-F22 PolarHBondContact N-O 2.87Å; I17-F22 PolarHBondContact O-N 2.97Å; I17-V34 HydrophobicContact CD1-CB 3.78Å; I17-V34 HydrophobicContact CD1-CG1 3.73Å; I17-V34 HydrophobicContact CD1-CG2 3.82Å; I17-V37 HydrophobicContact CD1-CG2 4.23Å; I17-Y42 HydrophobicContact CG2-CD1 4.37Å; I17-Y42 HydrophobicContact CG2-CG 3.95Å; I17-I43 WeakPolarHBondContact CA-O 3.38Å; I17-V44 HydrophobicContact CD1-CG2 4.27Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 4.16Å; I17-V44 HydrophobicContact CG2-CG2 4.39Å
18A91.9Very high93.8Very high29 Ų2960.8 Ų60.824%0.2433%0.33CS..THydrogen-bonded Turntrans60.435.1177.700000114.7Q21 Y42 I43A18-Q21 HydrophobicContact CB-CB 4.26Å; A18-Q21 HydrophobicContact CB-CG 4.32Å; A18-Y42 HydrophobicContact CB-CD1 3.67Å; A18-Y42 HydrophobicContact CB-CE1 4.26Å; A18-I43 PolarHBondContact N-O 3.33Å; A18-I43 VanDerWaalsContact N-O 3.09Å
19G89.1Confident93.8Very high60 Ų6061.8 Ų61.862%0.61934%0.335SS*.THydrogen-bonded Turntrans69.850.5-177.200000112.4I17 Q21I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 2.89Å; G19-Q21 PolarHBondContact O-N 3.39Å
20D91.1Very high93.8Very high82 Ų8262 Ų6244%0.43934%0.344SS..THydrogen-bonded Turntrans76.113172.4-56.622.1000115.2N16 I17N16-D20 VanDerWaalsContact CB-OD1 3.3Å; N16-D20 WeakPolarHBondContact CB-OD1 3.43Å; N16-D20 PolarHBondContact ND2-OD1 3.25Å; N16-D20 PolarHBondContact ND2-OD2 2.78Å; I17-D20 PolarHBondContact O-N 2.96Å
21Q94.2Very high93.8Very high142 Ų14264.8 Ų64.866%0.66436%0.36SS*.THydrogen-bonded Turntrans-67.8-39.4172.8-66-178.719.300112.1I17 A18 G19I17-Q21 PolarHBondContact O-N 2.94Å; A18-Q21 HydrophobicContact CB-CB 4.26Å; A18-Q21 HydrophobicContact CB-CG 4.32Å; G19-Q21 PolarHBondContact O-N 3.39Å
22F95.9Very high93.9Very high48 Ų4863 Ų6321%0.21134%0.344CS..EExtended strand (participates in β ladder)trans-121.7130.8170.7-47.3-91.9000108.5I17 V34 N36 V37 P38 Y42I17-F22 HydrophobicContact CB-CB 4.1Å; I17-F22 HydrophobicContact CB-CD2 4.49Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; I17-F22 PolarHBondContact N-O 2.87Å; I17-F22 PolarHBondContact O-N 2.97Å; F22-V34 HydrophobicContact CB-CG1 4.08Å; F22-N36 WeakPolarHBondContact CE1-O 3.32Å; F22-V37 HydrophobicContact CB-CG2 4.35Å; F22-V37 HydrophobicContact CD1-CG2 4.29Å; F22-V37 HydrophobicContact CD2-CG1 4.46Å; F22-V37 HydrophobicContact CE2-CG1 4.48Å; F22-V37 HydrophobicContact CG-CG2 4.16Å; F22-P38 HydrophobicContact CZ-CG 4.19Å; F22-Y42 HydrophobicContact CE2-CE1 4.49Å
23V95.7Very high93.9Very high68 Ų6864.4 Ų64.441%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-119.9129.2-177.9-1770000108.7R14 I15 F25R14-V23 HydrophobicContact CB-CG1 4.47Å; I15-V23 CarbonylContact O-C 3.57Å; I15-V23 WeakPolarHBondContact O-CA 3.47Å; V23-F25 HydrophobicContact CG1-CZ 4.36Å
24G95.4Very high93.9Very high4 Ų465.9 Ų65.94%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-116161.8173.100000111.9I15I15-G24 PolarHBondContact N-O 2.87Å; I15-G24 PolarHBondContact O-N 3.5Å
25F95.4Very high93.9Very high153 Ų15364.4 Ų64.467%0.67136%0.36SS*.EExtended strand (participates in β ladder)trans-119.8149176.1-61.5-80.6000110.5V23V23-F25 HydrophobicContact CG1-CZ 4.36Å
26V94.7Very high93.7Very high14 Ų1471.2 Ų71.29%0.08540%0.397CS..EExtended strand (participates in β ladder)trans-91.3130.6177.4-175.70000108.9W9 H10 T13 I15 F32W9-V26 HydrophobicContact CH2-CG1 3.98Å; W9-V26 HydrophobicContact CZ2-CG1 4.32Å; H10-V26 HydrophobicContact CB-CB 4.3Å; H10-V26 HydrophobicContact CB-CG1 4.14Å; T13-V26 HydrophobicContact CG2-CB 4.46Å; T13-V26 HydrophobicContact CG2-CG2 3.62Å; I15-V26 HydrophobicContact CD1-CG2 3.61Å; I15-V26 HydrophobicContact CG1-CG2 4.16Å; V26-F32 HydrophobicContact CG2-CB 4.42Å
27K93.8Very high93.6Very high117 Ų11772.6 Ų72.651%0.50941%0.406SS..  trans-76.2165.2174.6-68.5176.9-174.8176.20110.7D29 G30 N31K27-D29 WeakPolarHBondContact CB-OD1 3.48Å; K27-D29 PolarHBondContact O-N 2.75Å; K27-G30 WeakPolarHBondContact O-CA 3.37Å; K27-G30 PolarHBondContact O-N 2.56Å; K27-N31 WeakPolarHBondContact CB-O 3.29Å; K27-N31 PolarHBondContact N-O 3.28Å
28A91.4Very high93.6Very high76 Ų7675.4 Ų75.463%0.62843%0.425SS*.THydrogen-bonded Turntrans-61.1-25.3-179.700000114G30A28-G30 PolarHBondContact O-N 2.67Å
29D90.9Very high93.8Very high105 Ų10577.3 Ų77.356%0.56144%0.436SS*.THydrogen-bonded Turntrans-77.2-6173.863.5-7.3000113.4K27 N31K27-D29 WeakPolarHBondContact CB-OD1 3.48Å; K27-D29 PolarHBondContact O-N 2.75Å; D29-N31 VanDerWaalsContact C-N 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.41Å; D29-N31 PolarHBondContact OD1-N 3.31Å; D29-N31 PolarHBondContact OD2-ND2 2.78Å
30G91.4Very high94.1Very high25 Ų2575.6 Ų75.626%0.25842%0.419SS..SBendtrans83.71.9-175.700000114.3K27 A28K27-G30 WeakPolarHBondContact O-CA 3.37Å; K27-G30 PolarHBondContact O-N 2.56Å; A28-G30 PolarHBondContact O-N 2.67Å
31N93.8Very high94.3Very high99 Ų9975 Ų7553%0.52942%0.421SS..  trans-79.2156.1173.8-69.9-33.2000110.7K27 D29K27-N31 WeakPolarHBondContact CB-O 3.29Å; K27-N31 PolarHBondContact N-O 3.28Å; D29-N31 VanDerWaalsContact C-N 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.41Å; D29-N31 PolarHBondContact OD1-N 3.31Å; D29-N31 PolarHBondContact OD2-ND2 2.78Å
32F94.5Very high94.4Very high63 Ų6370.1 Ų70.128%0.27640%0.396SS..EExtended strand (participates in β ladder)trans-146.1154.7175.370.6-89.9000111.8I15 V26 V34 L86 L88I15-F32 HydrophobicContact CD1-CB 3.15Å; I15-F32 HydrophobicContact CD1-CD1 4.15Å; I15-F32 HydrophobicContact CD1-CD2 3.46Å; I15-F32 VanDerWaalsContact CD1-CD2 3.46Å; I15-F32 HydrophobicContact CD1-CE2 4.35Å; I15-F32 HydrophobicContact CD1-CG 3.33Å; I15-F32 HydrophobicContact CG1-CB 4.41Å; I15-F32 HydrophobicContact CG1-CD2 4.09Å; I15-F32 HydrophobicContact CG1-CG 4.17Å; I15-F32 HydrophobicContact CG2-CD2 4.42Å; I15-F32 HydrophobicContact CG2-CE2 4.36Å; V26-F32 HydrophobicContact CG2-CB 4.42Å; F32-V34 HydrophobicContact CD2-CG2 4.48Å; F32-L86 HydrophobicContact CZ-CB 4.09Å; F32-L86 HydrophobicContact CZ-CD1 4.15Å; F32-L88 HydrophobicContact CE1-CD1 4.39Å; F32-L88 HydrophobicContact CZ-CD1 4.27Å
33E94.7Very high94.3Very high132 Ų13271.1 Ų71.162%0.61740%0.403SS*.EExtended strand (participates in β ladder)trans-144.9135.9178.8-173.9175.1-17900108.3T35E33-T35 HydrophobicContact CG-CG2 4.24Å
34V95Very high94.3Very high35 Ų3568.2 Ų68.221%0.21239%0.386CS..  trans-125.6114.6174.3-1680000107.4I15 I17 F22 F32 V37I15-V34 HydrophobicContact CG2-CG2 4.18Å; I17-V34 HydrophobicContact CD1-CB 3.78Å; I17-V34 HydrophobicContact CD1-CG1 3.73Å; I17-V34 HydrophobicContact CD1-CG2 3.82Å; F22-V34 HydrophobicContact CB-CG1 4.08Å; F32-V34 HydrophobicContact CD2-CG2 4.48Å; V34-V37 HydrophobicContact CB-CG2 4.4Å; V34-V37 HydrophobicContact CG1-CG2 3.91Å
35T93.5Very high94.3Very high84 Ų8471.7 Ų71.752%0.51540%0.401SS..  trans-93.1168.1-177.763.40000110.9E33 V37E33-T35 HydrophobicContact CG-CG2 4.24Å; T35-V37 VanDerWaalsContact C-N 3.26Å; T35-V37 PolarHBondContact O-N 3.12Å
36N93Very high94.3Very high143 Ų14365.1 Ų65.177%0.76537%0.373SS*.  trans62.126.7172.7-58.472.8000115.1F22 P38F22-N36 WeakPolarHBondContact CE1-O 3.32Å; N36-P38 WeakPolarHBondContact O-CD 3.41Å
37V95Very high94.3Very high34 Ų3467.3 Ų67.321%0.20638%0.384CS..PPolyproline II helixtrans-85.7118.7173.6-172.50000109.6I17 F22 V34 T35 Y42 I60I17-V37 HydrophobicContact CD1-CG2 4.23Å; F22-V37 HydrophobicContact CB-CG2 4.35Å; F22-V37 HydrophobicContact CD1-CG2 4.29Å; F22-V37 HydrophobicContact CD2-CG1 4.46Å; F22-V37 HydrophobicContact CE2-CG1 4.48Å; F22-V37 HydrophobicContact CG-CG2 4.16Å; V34-V37 HydrophobicContact CB-CG2 4.4Å; V34-V37 HydrophobicContact CG1-CG2 3.91Å; T35-V37 VanDerWaalsContact C-N 3.26Å; T35-V37 PolarHBondContact O-N 3.12Å; V37-Y42 HydrophobicContact CG1-CD2 3.87Å; V37-Y42 HydrophobicContact CG1-CE2 3.59Å; V37-I60 HydrophobicContact CB-CD1 4.28Å; V37-I60 HydrophobicContact CG1-CD1 3.77Å
38P95.8Very high94.3Very high71 Ų7162.3 Ų62.346%0.46136%0.363SS..PPolyproline II helixtrans-63.6170.8177.2-22.234.5000113.1F22 N36 G40 Y42F22-P38 HydrophobicContact CZ-CG 4.19Å; N36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-G40 PolarHBondContact O-N 2.89Å; P38-Y42 VanDerWaalsContact O-CE2 3.32Å; P38-Y42 WeakPolarHBondContact O-CE2 3.41Å; P38-Y42 PolarHBondContact O-OH 3.42Å
39S96.2Very high94.4Very high69 Ų6962 Ų6248%0.48336%0.355SS..SBendtrans-67.9130170.359.70000110.7I60S39-I60 CarbonylContact C-O 3.55Å; S39-I60 WeakPolarHBondContact CA-O 3.39Å; S39-I60 WeakPolarHBondContact CB-O 3.27Å
40G95.6Very high94.5Very high24 Ų2460.2 Ų60.225%0.24735%0.347CS..EExtended strand (participates in β ladder)trans173.4179.1-176.800000111.8P38 I60P38-G40 PolarHBondContact O-N 2.89Å; G40-I60 PolarHBondContact N-O 2.56Å; G40-I60 PolarHBondContact O-N 3.09Å
41S94.4Very high94.6Very high69 Ų6959.7 Ų59.748%0.48334%0.337SS..EExtended strand (participates in β ladder)trans-104.3120.6171.3-74.30000109D59S41-D59 WeakPolarHBondContact CB-OD1 3.1Å; S41-D59 PolarHBondContact OG-OD1 2.97Å
42Y95.6Very high94.6Very high39 Ų3960.9 Ų60.915%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-126.8156.1-176.3-56.1-71.1000111.7I17 A18 F22 V37 P38 R57 V58 I60I17-Y42 HydrophobicContact CG2-CD1 4.37Å; I17-Y42 HydrophobicContact CG2-CG 3.95Å; A18-Y42 HydrophobicContact CB-CD1 3.67Å; A18-Y42 HydrophobicContact CB-CE1 4.26Å; F22-Y42 HydrophobicContact CE2-CE1 4.49Å; V37-Y42 HydrophobicContact CG1-CD2 3.87Å; V37-Y42 HydrophobicContact CG1-CE2 3.59Å; P38-Y42 VanDerWaalsContact O-CE2 3.32Å; P38-Y42 WeakPolarHBondContact O-CE2 3.41Å; P38-Y42 PolarHBondContact O-OH 3.42Å; Y42-R57 CarbonylContact O-C 3.57Å; Y42-R57 WeakPolarHBondContact O-CA 3.17Å; Y42-V58 PolarHBondContact N-O 3.04Å; Y42-V58 PolarHBondContact O-N 2.91Å; Y42-I60 HydrophobicContact CD2-CD1 4.2Å; Y42-I60 HydrophobicContact CE2-CD1 4.32Å
43I94.7Very high94.5Very high70 Ų7058.6 Ų58.636%0.35933%0.325SS..EExtended strand (participates in β ladder)trans-101.8125.1167.3-57.2175000106.4I17 A18 E45 L71I17-I43 WeakPolarHBondContact CA-O 3.38Å; A18-I43 PolarHBondContact N-O 3.33Å; A18-I43 VanDerWaalsContact N-O 3.09Å; I43-E45 HydrophobicContact CG2-CG 3.85Å; I43-L71 HydrophobicContact CD1-CD1 4Å; I43-L71 HydrophobicContact CG1-CD1 4.29Å; I43-L71 HydrophobicContact CG2-CD2 3.87Å
44V95.8Very high94.4Very high7 Ų755.5 Ų55.54%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-103.3121.8176.2-178.20000107.7I15 I17 G55 V56 V58 L86I15-V44 HydrophobicContact CG2-CG1 3.68Å; I17-V44 HydrophobicContact CD1-CG2 4.27Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 4.16Å; I17-V44 HydrophobicContact CG2-CG2 4.39Å; V44-G55 WeakPolarHBondContact O-CA 3.25Å; V44-V56 PolarHBondContact N-O 2.99Å; V44-V56 PolarHBondContact O-N 3.4Å; V44-V58 HydrophobicContact CB-CG2 4.38Å; V44-V58 HydrophobicContact CG2-CB 4.16Å; V44-V58 HydrophobicContact CG2-CG2 3.61Å; V44-L86 HydrophobicContact CG1-CD1 4.46Å
45E95Very high94.3Very high76 Ų7654.1 Ų54.136%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-123.7140-178.9-58-172.8136.800109.6I15 N16 I43 I47I15-E45 CarbonylContact C-O 3.56Å; I15-E45 WeakPolarHBondContact CA-O 3.21Å; N16-E45 PolarHBondContact N-O 2.87Å; N16-E45 PolarHBondContact O-N 3.21Å; I43-E45 HydrophobicContact CG2-CG 3.85Å; E45-I47 HydrophobicContact CB-CD1 4.13Å
46V95.4Very high94.3Very high15 Ų1550.3 Ų50.39%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-104.1113173.8179.30000107.2T13 I15 F53 L88T13-V46 HydrophobicContact CG2-CG1 3.34Å; I15-V46 HydrophobicContact CG1-CG2 4.21Å; V46-F53 HydrophobicContact CB-CB 3.82Å; V46-F53 HydrophobicContact CB-CD1 4.34Å; V46-F53 HydrophobicContact CB-CD2 3.9Å; V46-F53 HydrophobicContact CB-CG 3.77Å; V46-F53 HydrophobicContact CG1-CB 4.46Å; V46-F53 HydrophobicContact CG1-CD1 4.33Å; V46-F53 HydrophobicContact CG1-CD2 3.59Å; V46-F53 HydrophobicContact CG1-CE1 4.5Å; V46-F53 HydrophobicContact CG1-CE2 3.79Å; V46-F53 HydrophobicContact CG1-CG 3.89Å; V46-F53 HydrophobicContact CG1-CZ 4.24Å; V46-L88 HydrophobicContact CG2-CD1 3.44Å; V46-L88 VanDerWaalsContact CG2-CD1 3.44Å
47I94.9Very high94.4Very high61 Ų6149 Ų4931%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-97.2119.8-178-52.9-54.6000108.5T13 R14 N16 E45T13-I47 WeakPolarHBondContact CA-O 3.21Å; R14-I47 HydrophobicContact CG-CB 3.79Å; R14-I47 HydrophobicContact CG-CG1 4.43Å; R14-I47 HydrophobicContact CG-CG2 4.41Å; R14-I47 PolarHBondContact N-O 3.31Å; R14-I47 PolarHBondContact O-N 2.94Å; N16-I47 HydrophobicContact CB-CG1 4.16Å; N16-I47 WeakPolarHBondContact ND2-CG1 3.38Å; E45-I47 HydrophobicContact CB-CD1 4.13Å
48N94.2Very high94.4Very high11 Ų1147.8 Ų47.86%0.05926%0.258CS..  trans-141.2139.8174.4-178.6-69.3000108.9W9 T13 V50 Y51 F53W9-N48 PolarHBondContact O-ND2 3.31Å; T13-N48 HydrophobicContact CG2-CB 4.41Å; T13-N48 PolarHBondContact OG1-ND2 3.06Å; N48-V50 VanDerWaalsContact C-N 3.27Å; N48-V50 PolarHBondContact O-N 3.02Å; N48-V50 WeakPolarHBondContact OD1-CA 3.32Å; N48-V50 PolarHBondContact OD1-N 3.47Å; N48-Y51 PolarHBondContact OD1-N 3.3Å; N48-F53 HydrophobicContact CB-CD2 4.49Å; N48-F53 HydrophobicContact CB-CE2 4.08Å
49P93.7Very high94.3Very high71 Ų7145.7 Ų45.746%0.46124%0.242SC..SBendtrans-76.8-7.4-177.530.5-36.1000114.5N12 Y96N12-P49 HydrophobicContact CB-CG 4.04Å; N12-P49 WeakPolarHBondContact O-CD 3.26Å; P49-Y96 WeakPolarHBondContact O-CE2 3.29Å; P49-Y96 PolarHBondContact O-OH 3.44Å; P49-Y96 VanDerWaalsContact O-OH 3.13Å
50V93.2Very high94.3Very high66 Ų6644.2 Ų44.240%0.423%0.228SC..SBendtrans-120-36.7-176.7-179.50000111.3N48 R93 A94N48-V50 VanDerWaalsContact C-N 3.27Å; N48-V50 PolarHBondContact O-N 3.02Å; N48-V50 WeakPolarHBondContact OD1-CA 3.32Å; N48-V50 PolarHBondContact OD1-N 3.47Å; V50-R93 CarbonylContact O-C 3.56Å; V50-R93 VanDerWaalsContact O-CA 3.26Å; V50-R93 WeakPolarHBondContact O-CA 3.13Å; V50-A94 PolarHBondContact O-N 2.99Å
51Y93.5Very high94.4Very high14 Ų1445.5 Ų45.56%0.05523%0.234CC..EExtended strand (participates in β ladder)trans-111.8135.4-175.1-61.9-74000111.4P2 E4 A5 W9 N48 R93P2-Y51 HydrophobicContact CB-CD1 3.55Å; P2-Y51 HydrophobicContact CB-CD2 4.37Å; P2-Y51 HydrophobicContact CB-CE1 3.56Å; P2-Y51 HydrophobicContact CB-CE2 4.38Å; P2-Y51 HydrophobicContact CB-CG 3.99Å; P2-Y51 HydrophobicContact CG-CD1 3.83Å; P2-Y51 HydrophobicContact CG-CD2 3.84Å; P2-Y51 HydrophobicContact CG-CE1 4.12Å; P2-Y51 HydrophobicContact CG-CE2 4.13Å; P2-Y51 HydrophobicContact CG-CG 3.7Å; E4-Y51 PolarHBondContact O-OH 2.96Å; A5-Y51 VanDerWaalsContact CA-OH 3.25Å; A5-Y51 WeakPolarHBondContact CA-OH 3.41Å; A5-Y51 HydrophobicContact CB-CE2 4.09Å; W9-Y51 HydrophobicContact CB-CE2 4.48Å; N48-Y51 PolarHBondContact OD1-N 3.3Å; Y51-R93 HydrophobicContact CD1-CG 4.42Å; Y51-R93 HydrophobicContact CE1-CG 4.18Å
52Y92.8Very high94.4Very high125 Ų12547.3 Ų47.349%0.4925%0.246SC..EExtended strand (participates in β ladder)trans-91.2138.1172.6-177.3-112.6000110.4S90 S91 G92Y52-S90 CarbonylContact O-C 3.56Å; Y52-S90 WeakPolarHBondContact O-CA 3.3Å; Y52-S90 PolarHBondContact O-OG 3.46Å; Y52-S91 PolarHBondContact O-N 3.33Å; Y52-G92 PolarHBondContact N-O 3.42Å
53F93.4Very high94.3Very high14 Ų1454.3 Ų54.36%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-127.7139.1176.1-67.9-92.2000109.7P2 W9 V46 N48 G55P2-F53 HydrophobicContact CG-CZ 4.22Å; W9-F53 HydrophobicContact CZ3-CZ 4.01Å; V46-F53 HydrophobicContact CB-CB 3.82Å; V46-F53 HydrophobicContact CB-CD1 4.34Å; V46-F53 HydrophobicContact CB-CD2 3.9Å; V46-F53 HydrophobicContact CB-CG 3.77Å; V46-F53 HydrophobicContact CG1-CB 4.46Å; V46-F53 HydrophobicContact CG1-CD1 4.33Å; V46-F53 HydrophobicContact CG1-CD2 3.59Å; V46-F53 HydrophobicContact CG1-CE1 4.5Å; V46-F53 HydrophobicContact CG1-CE2 3.79Å; V46-F53 HydrophobicContact CG1-CG 3.89Å; V46-F53 HydrophobicContact CG1-CZ 4.24Å; N48-F53 HydrophobicContact CB-CD2 4.49Å; N48-F53 HydrophobicContact CB-CE2 4.08Å; F53-G55 PolarHBondContact O-N 3.34Å
54Q91.4Very high94.2Very high68 Ų6853.5 Ų53.532%0.31829%0.286SS..  trans-73.2126.7174.1-174.761.56100110.1
55G92.9Very high94.1Very high6 Ų662.3 Ų62.36%0.06232%0.319CS..  trans-62.5148.9172.300000112.3V44 F53 L71V44-G55 WeakPolarHBondContact O-CA 3.25Å; F53-G55 PolarHBondContact O-N 3.34Å; G55-L71 WeakPolarHBondContact O-CB 3.47Å; G55-L71 PolarHBondContact O-N 3.29Å
56V94.1Very high94.1Very high4 Ų461.5 Ų61.52%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-128.1135.7-178.6170.10000109.9V44 V58 A68 R69 L82 L86 L88V44-V56 PolarHBondContact N-O 2.99Å; V44-V56 PolarHBondContact O-N 3.4Å; V56-V58 HydrophobicContact CG1-CG2 4.15Å; V56-A68 HydrophobicContact CG1-CB 4.24Å; V56-R69 WeakPolarHBondContact CG1-O 3.37Å; V56-L82 HydrophobicContact CB-CD1 4.38Å; V56-L82 HydrophobicContact CG1-CD1 3.79Å; V56-L82 HydrophobicContact CG2-CD1 3.61Å; V56-L86 HydrophobicContact CG1-CD2 3.9Å; V56-L88 HydrophobicContact CB-CD2 4.18Å; V56-L88 HydrophobicContact CG2-CD2 3.38Å
57R93.9Very high94.1Very high114 Ų11468.4 Ų68.443%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-85.1128.6172.6-175.8175.2177.5163.26.2109.4Y42 D59 A68 R69Y42-R57 CarbonylContact O-C 3.57Å; Y42-R57 WeakPolarHBondContact O-CA 3.17Å; R57-D59 IonicContact NE-OD1 3.37Å; R57-D59 PolarHBondContact NE-OD1 3.39Å; R57-A68 CarbonylContact O-C 3.56Å; R57-A68 WeakPolarHBondContact O-CA 3.35Å; R57-R69 PolarHBondContact N-O 3.42Å; R57-R69 PolarHBondContact O-N 3.44Å
58V95Very high94.1Very high10 Ų1065.7 Ų65.76%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-122.4122.9178.5-177.10000109.1Y42 V44 V56 I60 I66 R67 L86Y42-V58 PolarHBondContact N-O 3.04Å; Y42-V58 PolarHBondContact O-N 2.91Å; V44-V58 HydrophobicContact CB-CG2 4.38Å; V44-V58 HydrophobicContact CG2-CB 4.16Å; V44-V58 HydrophobicContact CG2-CG2 3.61Å; V56-V58 HydrophobicContact CG1-CG2 4.15Å; V58-I60 HydrophobicContact CG1-CG1 4.15Å; V58-I66 HydrophobicContact CG1-CG2 3.59Å; V58-R67 CarbonylContact C-O 3.49Å; V58-R67 WeakPolarHBondContact CA-O 3.32Å; V58-L86 HydrophobicContact CG2-CD1 3.88Å; V58-L86 HydrophobicContact CG2-CD2 4.37Å
59D95.1Very high94Very high27 Ų2768.2 Ų68.214%0.14434%0.336CS..EExtended strand (participates in β ladder)trans-104.6119.7176.2-59.6-37.1000108.9S41 R57 I66 R67 R69S41-D59 WeakPolarHBondContact CB-OD1 3.1Å; S41-D59 PolarHBondContact OG-OD1 2.97Å; R57-D59 IonicContact NE-OD1 3.37Å; R57-D59 PolarHBondContact NE-OD1 3.39Å; D59-I66 WeakPolarHBondContact O-CA 3.29Å; D59-R67 PolarHBondContact N-O 3.29Å; D59-R67 PolarHBondContact O-N 2.76Å; D59-R69 IonicContact OD2-NH1 3.58Å
60I96.4Very high93.8Very high37 Ų3767.7 Ų67.719%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-109112.4179.2-53.3174.8000108.3V37 S39 G40 Y42 V58 I66V37-I60 HydrophobicContact CB-CD1 4.28Å; V37-I60 HydrophobicContact CG1-CD1 3.77Å; S39-I60 CarbonylContact C-O 3.55Å; S39-I60 WeakPolarHBondContact CA-O 3.39Å; S39-I60 WeakPolarHBondContact CB-O 3.27Å; G40-I60 PolarHBondContact N-O 2.56Å; G40-I60 PolarHBondContact O-N 3.09Å; Y42-I60 HydrophobicContact CD2-CD1 4.2Å; Y42-I60 HydrophobicContact CE2-CD1 4.32Å; V58-I60 HydrophobicContact CG1-CG1 4.15Å; I60-I66 HydrophobicContact CG1-CG1 4.47Å
61S96.5Very high93.6Very high52 Ų5267 Ų6736%0.36432%0.321SS..  trans-72.1153.2175.4-176.20000111.2K63 G64 R65S61-K63 PolarHBondContact O-N 2.78Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 3.07Å; S61-G64 PolarHBondContact O-N 2.85Å; S61-R65 WeakPolarHBondContact CB-O 3.47Å; S61-R65 PolarHBondContact N-O 3.06Å
62S95Very high93.1Very high106 Ų10668.7 Ų68.774%0.74133%0.331SS*.THydrogen-bonded Turntrans-57.1-20.9170.655.30000113.7G64S62-G64 VanDerWaalsContact C-N 3.3Å
63K94.6Very high92.3Very high186 Ų18667 Ų6781%0.80934%0.343SS*.THydrogen-bonded Turntrans-83.52.7173.2-61.5-175.2179179.90114.2S61 R65S61-K63 PolarHBondContact O-N 2.78Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 3.07Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.74Å
64G90.7Very high91.5Very high53 Ų5372 Ų7255%0.54638%0.377SS..SBendtrans77.88-175.900000115.1S61 S62S61-G64 PolarHBondContact O-N 2.85Å; S62-G64 VanDerWaalsContact C-N 3.3Å
65R94.5Very high90.9Very high193 Ų19374.8 Ų74.873%0.72839%0.39SS*.  trans-74126.6172-67.8-64.9-147.9-174.75109.5S61 K63S61-R65 WeakPolarHBondContact CB-O 3.47Å; S61-R65 PolarHBondContact N-O 3.06Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.74Å
66I95.4Very high90.2Very high58 Ų5879.2 Ų79.230%0.29742%0.418SS..EExtended strand (participates in β ladder)trans-107.6133.8179.8-56.5173.5000109.4V58 D59 I60 Y84V58-I66 HydrophobicContact CG1-CG2 3.59Å; D59-I66 WeakPolarHBondContact O-CA 3.29Å; I60-I66 HydrophobicContact CG1-CG1 4.47Å; I66-Y84 HydrophobicContact CB-CD2 4.47Å; I66-Y84 HydrophobicContact CB-CE2 4.43Å; I66-Y84 HydrophobicContact CD1-CE1 3.91Å; I66-Y84 HydrophobicContact CD1-CE2 4.17Å; I66-Y84 WeakPolarHBondContact CD1-OH 3.36Å; I66-Y84 HydrophobicContact CG2-CD2 3.69Å; I66-Y84 HydrophobicContact CG2-CE2 3.65Å; I66-Y84 HydrophobicContact CG2-CG 4.22Å
67R94.5Very high89.4Confident160 Ų16086.4 Ų86.460%0.60446%0.456SS*.EExtended strand (participates in β ladder)trans-127.8135.7172.4-64.6-179.4179.6170.9-2.4109.2V58 D59V58-R67 CarbonylContact C-O 3.49Å; V58-R67 WeakPolarHBondContact CA-O 3.32Å; D59-R67 PolarHBondContact N-O 3.29Å; D59-R67 PolarHBondContact O-N 2.76Å
68A94.6Very high88.8Confident4 Ų482.9 Ų82.93%0.03345%0.452CS..EExtended strand (participates in β ladder)trans-117.4142179.300000110.8V56 R57 L82 L86V56-A68 HydrophobicContact CG1-CB 4.24Å; R57-A68 CarbonylContact O-C 3.56Å; R57-A68 WeakPolarHBondContact O-CA 3.35Å; A68-L82 HydrophobicContact CB-CB 4.04Å; A68-L82 PolarHBondContact O-N 3.31Å; A68-L86 HydrophobicContact CB-CD2 3.34Å
69R92.8Very high88.1Confident64 Ų6485.9 Ų85.924%0.24247%0.47CS..EExtended strand (participates in β ladder)trans-142.9143.1-177-67.5172.4165.4168.1-12.3110.4V56 R57 D59 L71 V79 K80 E81V56-R69 WeakPolarHBondContact CG1-O 3.37Å; R57-R69 PolarHBondContact N-O 3.42Å; R57-R69 PolarHBondContact O-N 3.44Å; D59-R69 IonicContact OD2-NH1 3.58Å; R69-L71 PolarHBondContact O-N 2.72Å; R69-V79 HydrophobicContact CG-CG1 4Å; R69-K80 VanDerWaalsContact CA-O 3.31Å; R69-K80 WeakPolarHBondContact CA-O 3.22Å; R69-E81 IonicContact NE-OE1 3.93Å; R69-E81 IonicContact NH2-OE1 3.44Å; R69-E81 PolarHBondContact NH2-OE1 2.89Å
70Q90.4Very high87.8Confident60 Ų6090.5 Ų90.528%0.2849%0.489SS..EExtended strand (participates in β ladder)trans-61.7137.2174.9-170.8171.910.700110.8N72 K80 L82Q70-N72 PolarHBondContact O-N 3.27Å; Q70-N72 VanDerWaalsContact O-N 3.13Å; Q70-K80 HydrophobicContact CB-CB 4.21Å; Q70-K80 PolarHBondContact N-O 3.32Å; Q70-K80 VanDerWaalsContact OE1-CD 3.23Å; Q70-L82 HydrophobicContact CB-CD1 4.34Å
71L88.3Confident87.5Confident51 Ų5195 Ų9527%0.26751%0.509SS..  trans-76.698175.6-174.667.3000110I43 G55 R69I43-L71 HydrophobicContact CD1-CD1 4Å; I43-L71 HydrophobicContact CG1-CD1 4.29Å; I43-L71 HydrophobicContact CG2-CD2 3.87Å; G55-L71 WeakPolarHBondContact O-CB 3.47Å; G55-L71 PolarHBondContact O-N 3.29Å; R69-L71 PolarHBondContact O-N 2.72Å
72N83.4Confident87.4Confident50 Ų5095.1 Ų95.127%0.26751%0.505SS..  trans-105.693.2175.4-67.3-25.3000109.7Q70 Q75 A78Q70-N72 PolarHBondContact O-N 3.27Å; Q70-N72 VanDerWaalsContact O-N 3.13Å; N72-Q75 CarbonylContact O-C 3.6Å; N72-A78 PolarHBondContact ND2-O 3.4Å
73A75.2Confident87.3Confident90 Ų9094.2 Ų94.274%0.74450%0.497SS*.SBendtrans-60.3-44178.700000114.9Q75A73-Q75 VanDerWaalsContact C-N 3.33Å; A73-Q75 PolarHBondContact O-N 3.03Å
74P77.9Confident87.2Confident119 Ų11991.7 Ų91.777%0.77348%0.483SS*.SBendtrans-77-19.2-175.829-34.5000113.7
75Q78.5Confident87.3Confident126 Ų12694 Ų9459%0.58949%0.488SS*.  trans-137.479.2-176.5-69.6172.821.300109.7N72 A73 N77 A78N72-Q75 CarbonylContact O-C 3.6Å; A73-Q75 VanDerWaalsContact C-N 3.33Å; A73-Q75 PolarHBondContact O-N 3.03Å; Q75-N77 PolarHBondContact O-N 3.45Å; Q75-N77 VanDerWaalsContact O-N 3.13Å; Q75-A78 HydrophobicContact CB-CB 3.79Å; Q75-A78 WeakPolarHBondContact O-CB 3.46Å; Q75-A78 PolarHBondContact O-N 3.03Å
76P77.1Confident87.3Confident100 Ų10086 Ų8665%0.64946%0.46SS*.THydrogen-bonded Turntrans-61.8-23.8-178.224.6-34.5000113
77N77.6Confident87.1Confident154 Ų15493.9 Ų93.982%0.82449%0.486SS*.THydrogen-bonded Turntrans-81.6-17.4178.6-63.3-16.8000113.2Q75 V79Q75-N77 PolarHBondContact O-N 3.45Å; Q75-N77 VanDerWaalsContact O-N 3.13Å; N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 2.98Å
78A81.3Confident86.9Confident40 Ų4087.9 Ų87.933%0.33147%0.465SS..  trans-78.782.6177.200000109.4N72 Q75 K80N72-A78 PolarHBondContact ND2-O 3.4Å; Q75-A78 HydrophobicContact CB-CB 3.79Å; Q75-A78 WeakPolarHBondContact O-CB 3.46Å; Q75-A78 PolarHBondContact O-N 3.03Å; A78-K80 PolarHBondContact O-N 3.34Å
79V80.6Confident86.7Confident74 Ų7491.8 Ų91.845%0.44849%0.493SS..  trans-80.1110.1-179.3177.90000109.8R69 N77 E81R69-V79 HydrophobicContact CG-CG1 4Å; N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 2.98Å; V79-E81 HydrophobicContact CG1-CG 3.92Å
80K88.3Confident86.6Confident124 Ų12489.5 Ų89.554%0.53949%0.487SS..  trans-105.6105.3165.2-169.1-175.8-174.1177.80108.9R69 Q70 A78R69-K80 VanDerWaalsContact CA-O 3.31Å; R69-K80 WeakPolarHBondContact CA-O 3.22Å; Q70-K80 HydrophobicContact CB-CB 4.21Å; Q70-K80 PolarHBondContact N-O 3.32Å; Q70-K80 VanDerWaalsContact OE1-CD 3.23Å; A78-K80 PolarHBondContact O-N 3.34Å
81E91.4Very high86.6Confident130 Ų13090.4 Ų90.461%0.60750%0.5SS*.EExtended strand (participates in β ladder)trans-69.4137.8177.9-57.1-162.5153.500110.3R69 V79R69-E81 IonicContact NE-OE1 3.93Å; R69-E81 IonicContact NH2-OE1 3.44Å; R69-E81 PolarHBondContact NH2-OE1 2.89Å; V79-E81 HydrophobicContact CG1-CG 3.92Å
82L92.7Very high86.7Confident55 Ų5589.6 Ų89.629%0.28850%0.503SS..EExtended strand (participates in β ladder)trans-110.9144.7177.5-69.4174.2000109.3V56 A68 Q70V56-L82 HydrophobicContact CB-CD1 4.38Å; V56-L82 HydrophobicContact CG1-CD1 3.79Å; V56-L82 HydrophobicContact CG2-CD1 3.61Å; A68-L82 HydrophobicContact CB-CB 4.04Å; A68-L82 PolarHBondContact O-N 3.31Å; Q70-L82 HydrophobicContact CB-CD1 4.34Å
83P93.7Very high87.1Confident87 Ų8793.6 Ų93.657%0.56551%0.514SS*.  trans-64.7149.7175.228.5-34.5000110.8
84Y92.7Very high87.9Confident134 Ų13490.6 Ų90.653%0.52549%0.49SS..SBendtrans-115.4134.7170.7-168.9-93.5000109I66 L86I66-Y84 HydrophobicContact CB-CD2 4.47Å; I66-Y84 HydrophobicContact CB-CE2 4.43Å; I66-Y84 HydrophobicContact CD1-CE1 3.91Å; I66-Y84 HydrophobicContact CD1-CE2 4.17Å; I66-Y84 WeakPolarHBondContact CD1-OH 3.36Å; I66-Y84 HydrophobicContact CG2-CD2 3.69Å; I66-Y84 HydrophobicContact CG2-CE2 3.65Å; I66-Y84 HydrophobicContact CG2-CG 4.22Å; Y84-L86 HydrophobicContact CD2-CD2 4.44Å; Y84-L86 HydrophobicContact CD2-CG 4.19Å; Y84-L86 HydrophobicContact CE2-CG 4.35Å
85P93Very high88.5Confident100 Ų10090.9 Ų90.965%0.64949%0.489SS*.SBendcis-62.9151.93.3-22.634.4000114.5R87P85-R87 PolarHBondContact O-N 3.2Å
86L93.6Very high89.2Confident25 Ų2592 Ų9213%0.13149%0.489CS..  trans-63.4127.8-175.4-66177.5000111.6F32 V44 V56 V58 A68 Y84 L88F32-L86 HydrophobicContact CZ-CB 4.09Å; F32-L86 HydrophobicContact CZ-CD1 4.15Å; V44-L86 HydrophobicContact CG1-CD1 4.46Å; V56-L86 HydrophobicContact CG1-CD2 3.9Å; V58-L86 HydrophobicContact CG2-CD1 3.88Å; V58-L86 HydrophobicContact CG2-CD2 4.37Å; A68-L86 HydrophobicContact CB-CD2 3.34Å; Y84-L86 HydrophobicContact CD2-CD2 4.44Å; Y84-L86 HydrophobicContact CD2-CG 4.19Å; Y84-L86 HydrophobicContact CE2-CG 4.35Å; L86-L88 HydrophobicContact CB-CG 4.36Å
87R91.6Very high89.9Confident225 Ų22595.8 Ų95.885%0.84950%0.495SS*.  trans-109.691.4171.7-65.1-172.5178.6-167.1-0.7109.6P85P85-R87 PolarHBondContact O-N 3.2Å
88L90.7Very high90.5Very high33 Ų3396.4 Ų96.417%0.17349%0.491CS..  trans-91.7112.9179.8-54.7179.9000109.2F32 V46 V56 L86F32-L88 HydrophobicContact CE1-CD1 4.39Å; F32-L88 HydrophobicContact CZ-CD1 4.27Å; V46-L88 HydrophobicContact CG2-CD1 3.44Å; V46-L88 VanDerWaalsContact CG2-CD1 3.44Å; V56-L88 HydrophobicContact CB-CD2 4.18Å; V56-L88 HydrophobicContact CG2-CD2 3.38Å; L86-L88 HydrophobicContact CB-CG 4.36Å
89S90.2Very high90.7Very high87 Ų8798.4 Ų98.461%0.60851%0.507SS*.  trans-90.6145.4170.6-171.20000109.8
90S91.1Very high91.1Very high16 Ų16105.9 Ų105.911%0.11253%0.527CS..EExtended strand (participates in β ladder)trans-68.1138.3168.4176.90000109.2Y52 G92Y52-S90 CarbonylContact O-C 3.56Å; Y52-S90 WeakPolarHBondContact O-CA 3.3Å; Y52-S90 PolarHBondContact O-OG 3.46Å; S90-G92 VanDerWaalsContact C-N 3.33Å; S90-G92 PolarHBondContact OG-N 2.94Å; S90-G92 PolarHBondContact OG-O 2.97Å
91S90.3Very high90.9Very high79 Ų79107.5 Ų107.555%0.55254%0.537SS*.EExtended strand (participates in β ladder)trans-86.1-6.2175.8-61.50000112.6Y52Y52-S91 PolarHBondContact O-N 3.33Å
92G90.4Very high90.5Very high33 Ų33109 Ų10934%0.3454%0.544SS..EExtended strand (participates in β ladder)trans142.1-176.9-178.800000112.7Y52 S90Y52-G92 PolarHBondContact N-O 3.42Å; S90-G92 VanDerWaalsContact C-N 3.33Å; S90-G92 PolarHBondContact OG-N 2.94Å; S90-G92 PolarHBondContact OG-O 2.97Å
93R92Very high89.5Confident134 Ų134114.2 Ų114.251%0.50657%0.571SS.*EExtended strand (participates in β ladder)trans-73.7138.5171-73.5-178171.2155.40.6110.3E4 V50 Y51 V95E4-R93 IonicContact OE1-CZ 2.69Å; E4-R93 IonicContact OE1-NH1 3.42Å; E4-R93 PolarHBondContact OE1-NH1 3.2Å; E4-R93 IonicContact OE1-NH2 3.37Å; E4-R93 PolarHBondContact OE1-NH2 3.29Å; E4-R93 IonicContact OE2-CZ 3.22Å; E4-R93 IonicContact OE2-NE 3.56Å; E4-R93 IonicContact OE2-NH1 3.37Å; E4-R93 IonicContact OE2-NH2 4Å; E4-R93 PolarHBondContact OE2-NH2 3.29Å; V50-R93 CarbonylContact O-C 3.56Å; V50-R93 VanDerWaalsContact O-CA 3.26Å; V50-R93 WeakPolarHBondContact O-CA 3.13Å; Y51-R93 HydrophobicContact CD1-CG 4.42Å; Y51-R93 HydrophobicContact CE1-CG 4.18Å; R93-V95 PolarHBondContact O-N 2.76Å
94A91.3Very high88.4Confident27 Ų27118 Ų11822%0.22357%0.574CS.*  trans-70.8120.8175.200000109.8V50 Y96V50-A94 PolarHBondContact O-N 2.99Å; A94-Y96 HydrophobicContact CB-CD2 4.29Å; A94-Y96 HydrophobicContact CB-CE1 4.21Å; A94-Y96 HydrophobicContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CZ 3.42Å; A94-Y96 WeakPolarHBondContact CB-OH 3.31Å
95V91.6Very high87.4Confident126 Ų126117.2 Ų117.276%0.76458%0.584SS**  trans-99.295.2178.1-177.70000108.3R93 F97R93-V95 PolarHBondContact O-N 2.76Å; V95-F97 WeakPolarHBondContact CG1-O 3.32Å
96Y92Very high86.7Confident149 Ų149117.9 Ų117.958%0.58458%0.581SS**  trans-81-20.9179.4-59-76.5000113.3P49 A94P49-Y96 WeakPolarHBondContact O-CE2 3.29Å; P49-Y96 PolarHBondContact O-OH 3.44Å; P49-Y96 VanDerWaalsContact O-OH 3.13Å; A94-Y96 HydrophobicContact CB-CD2 4.29Å; A94-Y96 HydrophobicContact CB-CE1 4.21Å; A94-Y96 HydrophobicContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CZ 3.42Å; A94-Y96 WeakPolarHBondContact CB-OH 3.31Å
97F91.9Very high86.1Confident179 Ų179120.8 Ų120.879%0.78560%0.597SS**  trans-104.8117.7-177.1-58.2-76000110V95V95-F97 WeakPolarHBondContact CG1-O 3.32Å
98K89.5Confident85.6Confident168 Ų168115.1 Ų115.173%0.7358%0.583SS**PPolyproline II helixtrans-73.2131.9163.4-165.1-172.3179.1-164.20107.5R100 E101K98-R100 PolarHBondContact O-N 3.41Å; K98-E101 IonicContact NZ-OE1 2.99Å; K98-E101 PolarHBondContact NZ-OE1 2.88Å
99A87.5Confident85.1Confident81 Ų81116.8 Ų116.867%0.66959%0.592SS**PPolyproline II helixtrans-55.7138.2169.800000109.2E101A99-E101 PolarHBondContact O-N 2.83Å
100R88.3Confident84.8Confident231 Ų231119.4 Ų119.487%0.87259%0.592SS**PPolyproline II helixtrans-57.6137.7173.8-73.3-166.8-178.3-162.81.4108.4K98 Q102K98-R100 PolarHBondContact O-N 3.41Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.48Å
101E84.5Confident84.7Confident159 Ų159121.5 Ų121.574%0.74360%0.602SS**  trans-59.4101.9167.8-72.7169.6-162.100106.4K98 A99 L103K98-E101 IonicContact NZ-OE1 2.99Å; K98-E101 PolarHBondContact NZ-OE1 2.88Å; A99-E101 PolarHBondContact O-N 2.83Å; E101-L103 PolarHBondContact O-N 3.05Å
102Q82.8Confident84.7Confident160 Ų160121.2 Ų121.275%0.74860%0.599SS**  trans-70.4124177.6-66.7174.84.900105.4R100 R104R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.48Å; Q102-R104 PolarHBondContact O-N 3.02Å
103L70.3Confident84.7Confident166 Ų166125.3 Ų125.387%0.86961%0.613SS**  trans-62.384.8161.4-63.2179.3000106E101 T105E101-L103 PolarHBondContact O-N 3.05Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.41Å
104R71.9Confident84.7Confident165 Ų165121.4 Ų121.462%0.62360%0.604SS**  trans-59.1103169.9-76.5172.7179.1173.2-1.4104.4Q102 L106 D107 L108Q102-R104 PolarHBondContact O-N 3.02Å; R104-L106 PolarHBondContact O-N 2.83Å; R104-D107 HydrophobicContact CB-CB 3.26Å; R104-D107 HydrophobicContact CG-CB 4.22Å; R104-D107 IonicContact NH1-OD2 3.76Å; R104-D107 WeakPolarHBondContact O-CA 3.31Å; R104-D107 VanDerWaalsContact O-CB 3.29Å; R104-D107 WeakPolarHBondContact O-CB 3.46Å; R104-D107 PolarHBondContact O-N 2.8Å; R104-L108 PolarHBondContact O-N 3.17Å
105T71.2Confident84.7Confident119 Ų119123.9 Ų123.973%0.7361%0.613SS**Hα-helixtrans-55-30.3178.9-48.90000110.7L103 L109L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.41Å; T105-L109 PolarHBondContact O-N 3.38Å
106L77.1Confident84.7Confident113 Ų113126.5 Ų126.559%0.59261%0.61SS**Hα-helixtrans-70.4-33170.2-63.9179.4000113.9R104 L108 L109 F110R104-L106 PolarHBondContact O-N 2.83Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L109 CarbonylContact O-C 3.49Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L106-F110 HydrophobicContact CB-CD2 4.22Å; L106-F110 HydrophobicContact CB-CE2 4.14Å; L106-F110 WeakPolarHBondContact O-CB 3.4Å; L106-F110 WeakPolarHBondContact O-CD2 3.19Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 3.11Å
107D81.5Confident84.7Confident86 Ų86124.5 Ų124.546%0.4661%0.613SS.*Hα-helixtrans-73.7-23.8176.4-152.614.3000111.6R104 F110 N111R104-D107 HydrophobicContact CB-CB 3.26Å; R104-D107 HydrophobicContact CG-CB 4.22Å; R104-D107 IonicContact NH1-OD2 3.76Å; R104-D107 WeakPolarHBondContact O-CA 3.31Å; R104-D107 VanDerWaalsContact O-CB 3.29Å; R104-D107 WeakPolarHBondContact O-CB 3.46Å; R104-D107 PolarHBondContact O-N 2.8Å; D107-F110 CarbonylContact O-C 3.56Å; D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 3.33Å
108L80.6Confident84.7Confident106 Ų106119.6 Ų119.656%0.55560%0.595SS**Hα-helixtrans-70.1-39.9165.4-176.563.2000111.5R104 L106 N111 V114R104-L108 PolarHBondContact O-N 3.17Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.99Å; L108-V114 HydrophobicContact CD1-CG2 3.96Å; L108-V114 HydrophobicContact CG-CG2 4.35Å; L108-V114 VanDerWaalsContact O-CB 3.31Å; L108-V114 WeakPolarHBondContact O-CB 2.99Å; L108-V114 VanDerWaalsContact O-CG2 3.32Å; L108-V114 WeakPolarHBondContact O-CG2 3.08Å
109L82Confident84.8Confident69 Ų69115.5 Ų115.536%0.36158%0.584SS.*Hα-helixtrans-68.5-38.7175.4-178.963.5000112.1T105 L106 N111 L118T105-L109 PolarHBondContact O-N 3.38Å; L106-L109 CarbonylContact O-C 3.49Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L109-N111 PolarHBondContact O-N 3.09Å; L109-L118 HydrophobicContact CD1-CD2 3.46Å; L109-L118 VanDerWaalsContact CD1-CD2 3.46Å
110F83.5Confident85Confident142 Ų142114.8 Ų114.862%0.62357%0.572SS**THydrogen-bonded Turntrans-83.97.4174.1-62.9-54.8000113.1L106 D107L106-F110 HydrophobicContact CB-CD2 4.22Å; L106-F110 HydrophobicContact CB-CE2 4.14Å; L106-F110 WeakPolarHBondContact O-CB 3.4Å; L106-F110 WeakPolarHBondContact O-CD2 3.19Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 3.11Å; D107-F110 CarbonylContact O-C 3.56Å
111N88.7Confident85.3Confident59 Ų59108.8 Ų108.832%0.31656%0.557SS.*SBendtrans-68.6127.1169.6-170-45.8000108.3D107 L108 L109 N113 V114 L115D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 3.33Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.99Å; L109-N111 PolarHBondContact O-N 3.09Å; N111-N113 PolarHBondContact O-N 3.37Å; N111-N113 VanDerWaalsContact O-N 3.09Å; N111-N113 PolarHBondContact OD1-N 2.99Å; N111-N113 VanDerWaalsContact OD1-N 3.11Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 PolarHBondContact O-N 3.38Å; N111-L115 PolarHBondContact O-N 3.37Å
112P89.7Confident85.7Confident74 Ų74106.2 Ų106.248%0.48155%0.548SS..Hα-helixtrans-51.4-39.9-178.618.9-32.3000112V114 L115 Y116P112-V114 PolarHBondContact O-N 3.22Å; P112-L115 PolarHBondContact O-N 3.13Å; P112-Y116 HydrophobicContact CB-CD2 4.4Å; P112-Y116 HydrophobicContact CB-CE2 4.01Å; P112-Y116 WeakPolarHBondContact O-CD2 2.99Å; P112-Y116 PolarHBondContact O-N 3.19Å
113N90.6Very high86.2Confident118 Ų118103.5 Ų103.563%0.63154%0.538SS*.Hα-helixtrans-65.4-40.3-178.5-66.1-12.7000112.8N111N111-N113 PolarHBondContact O-N 3.37Å; N111-N113 VanDerWaalsContact O-N 3.09Å; N111-N113 PolarHBondContact OD1-N 2.99Å; N111-N113 VanDerWaalsContact OD1-N 3.11Å
114V91.3Very high87.1Confident53 Ų5399.5 Ų99.532%0.32152%0.52SS..Hα-helixtrans-72.2-41.5179.11760000110.2L108 N111 P112 Y116 V117 L118L108-V114 HydrophobicContact CD1-CG2 3.96Å; L108-V114 HydrophobicContact CG-CG2 4.35Å; L108-V114 VanDerWaalsContact O-CB 3.31Å; L108-V114 WeakPolarHBondContact O-CB 2.99Å; L108-V114 VanDerWaalsContact O-CG2 3.32Å; L108-V114 WeakPolarHBondContact O-CG2 3.08Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 PolarHBondContact O-N 3.38Å; P112-V114 PolarHBondContact O-N 3.22Å; V114-Y116 PolarHBondContact O-N 2.69Å; V114-V117 PolarHBondContact O-N 3.28Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.33Å; V114-L118 PolarHBondContact O-N 3.08Å
115L92.9Very high88Confident79 Ų7994.9 Ų94.941%0.41451%0.51SS..Hα-helixtrans-62.5-41.5179.1-168.666.6000111.9N111 P112 V117 L118 V119N111-L115 PolarHBondContact O-N 3.37Å; P112-L115 PolarHBondContact O-N 3.13Å; L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3Å; L115-L118 PolarHBondContact O-N 2.9Å; L115-V119 HydrophobicContact CD1-CG2 3.67Å; L115-V119 HydrophobicContact CG-CG2 3.89Å; L115-V119 WeakPolarHBondContact O-CB 3.36Å; L115-V119 VanDerWaalsContact O-CG2 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.25Å; L115-V119 PolarHBondContact O-N 3.42Å
116Y91.5Very high88.9Confident180 Ų18093 Ų9371%0.70649%0.494SS*.Hα-helixtrans-63.3-27.6176.5-73.7-53.9000113.9P112 V114 P120P112-Y116 HydrophobicContact CB-CD2 4.4Å; P112-Y116 HydrophobicContact CB-CE2 4.01Å; P112-Y116 WeakPolarHBondContact O-CD2 2.99Å; P112-Y116 PolarHBondContact O-N 3.19Å; V114-Y116 PolarHBondContact O-N 2.69Å; Y116-P120 WeakPolarHBondContact O-CD 3.44Å; Y116-P120 WeakPolarHBondContact O-CG 3.4Å
117V91Very high89.4Confident107 Ų10792.2 Ų92.265%0.64849%0.49SS*.Hα-helixtrans-85.9-40.4175.2175.10000111.3V114 L115 P120V114-V117 PolarHBondContact O-N 3.28Å; L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3Å; V117-P120 WeakPolarHBondContact O-CD 2.88Å; V117-P120 WeakPolarHBondContact O-CG 3.48Å
118L91.9Very high89.5Confident77 Ų7791 Ų9140%0.40349%0.486SS..Hα-helixtrans-73.7-40.6-173.8-171.966000113L109 V114 L115 L121 L122L109-L118 HydrophobicContact CD1-CD2 3.46Å; L109-L118 VanDerWaalsContact CD1-CD2 3.46Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.33Å; V114-L118 PolarHBondContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 2.9Å; L118-L121 PolarHBondContact O-N 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 PolarHBondContact O-N 2.94Å
119V92.7Very high89.6Confident81 Ų8192.4 Ų92.449%0.49149%0.488SS..Hα-helixtrans-59.5-52.9-179.5170.80000113L115 L121 L122 L123L115-V119 HydrophobicContact CD1-CG2 3.67Å; L115-V119 HydrophobicContact CG-CG2 3.89Å; L115-V119 WeakPolarHBondContact O-CB 3.36Å; L115-V119 VanDerWaalsContact O-CG2 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.25Å; L115-V119 PolarHBondContact O-N 3.42Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3Å; V119-L122 PolarHBondContact O-N 2.8Å; V119-L123 PolarHBondContact O-N 2.87Å
120P92.2Very high89.6Confident66 Ų6694.8 Ų94.843%0.42950%0.5SS..Hα-helixtrans-64.9-35.5178.924.6-33.6000112.2Y116 V117 L123 V124Y116-P120 WeakPolarHBondContact O-CD 3.44Å; Y116-P120 WeakPolarHBondContact O-CG 3.4Å; V117-P120 WeakPolarHBondContact O-CD 2.88Å; V117-P120 WeakPolarHBondContact O-CG 3.48Å; P120-L123 PolarHBondContact O-N 2.76Å; P120-V124 WeakPolarHBondContact O-CG2 3.35Å; P120-V124 PolarHBondContact O-N 3.38Å
121L93Very high89.1Confident106 Ų10691.5 Ų91.556%0.55549%0.492SS*.Hα-helixtrans-63.2-45.2176.1-176.266000111.6L118 V119 L123 V124 V125L118-L121 PolarHBondContact O-N 3.3Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.79Å; L121-V124 PolarHBondContact O-N 3.45Å; L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.38Å
122L93.5Very high88.2Confident105 Ų10594.7 Ų94.755%0.5551%0.509SS..Hα-helixtrans-61.4-40.4176.2-175.465.4000111.3L118 V119 V125 I126L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 PolarHBondContact O-N 2.94Å; V119-L122 PolarHBondContact O-N 2.8Å; L122-V125 PolarHBondContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.46Å
123L92.8Very high86.8Confident103 Ų10395.1 Ų95.154%0.53951%0.51SS..Hα-helixtrans-63.7-43.5178-161.470.3000111.9V119 P120 L121 V125 I126 L127V119-L123 PolarHBondContact O-N 2.87Å; P120-L123 PolarHBondContact O-N 2.76Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.79Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 3.37Å; L123-I126 PolarHBondContact O-N 3.22Å; L123-L127 HydrophobicContact CG-CD1 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.44Å
124V90.8Very high85.1Confident82 Ų8295.3 Ų95.350%0.49751%0.511SS..Hα-helixtrans-62.7-40.2175.3172.40000111.4P120 L121 L127 T128P120-V124 WeakPolarHBondContact O-CG2 3.35Å; P120-V124 PolarHBondContact O-N 3.38Å; L121-V124 PolarHBondContact O-N 3.45Å; V124-L127 PolarHBondContact O-N 3.35Å; V124-T128 HydrophobicContact CG1-CG2 4.26Å; V124-T128 WeakPolarHBondContact O-CB 3.42Å; V124-T128 VanDerWaalsContact O-CG2 3.27Å; V124-T128 WeakPolarHBondContact O-CG2 3.33Å; V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 2.89Å
125V90Very high83.3Confident67 Ų6796.4 Ų96.441%0.40652%0.515SS..Hα-helixtrans-63.9-43.8175.6172.60000111.2L121 L122 L123 T128 K129L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.38Å; L122-V125 PolarHBondContact O-N 3.13Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 3.37Å; V125-T128 WeakPolarHBondContact CA-OG1 3.25Å; V125-T128 PolarHBondContact O-N 2.78Å; V125-T128 PolarHBondContact O-OG1 3.26Å; V125-K129 HydrophobicContact CG1-CG 4.31Å; V125-K129 WeakPolarHBondContact O-CB 3.41Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 2.96Å
126I89.9Confident81.7Confident79 Ų7997.3 Ų97.341%0.40553%0.526SS..Hα-helixtrans-63.1-46.5176.9-67.5165.6000110.4L122 L123 K129 L130L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.46Å; L123-I126 PolarHBondContact O-N 3.22Å; I126-K129 PolarHBondContact O-N 2.88Å; I126-L130 HydrophobicContact CG2-CD1 3.82Å; I126-L130 HydrophobicContact CG2-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.82Å
127L87.1Confident80.3Confident97 Ų9791 Ų9151%0.50851%0.508SS..Hα-helixtrans-59.4-50.3177.5-72.6172000111.6L123 V124 K129 L130 V131L123-L127 HydrophobicContact CG-CD1 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.44Å; V124-L127 PolarHBondContact O-N 3.35Å; L127-K129 VanDerWaalsContact C-N 3.27Å; L127-K129 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 3.32Å; L127-V131 WeakPolarHBondContact O-CG1 3.41Å; L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.05Å
128T83.2Confident78.8Confident61 Ų6188.5 Ų88.537%0.37449%0.493SS..Hα-helixtrans-62.4-33.3178.453.30000112.4V124 V125 V131 N132V124-T128 HydrophobicContact CG1-CG2 4.26Å; V124-T128 WeakPolarHBondContact O-CB 3.42Å; V124-T128 VanDerWaalsContact O-CG2 3.27Å; V124-T128 WeakPolarHBondContact O-CG2 3.33Å; V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 2.89Å; V125-T128 WeakPolarHBondContact CA-OG1 3.25Å; V125-T128 PolarHBondContact O-N 2.78Å; V125-T128 PolarHBondContact O-OG1 3.26Å; T128-V131 WeakPolarHBondContact O-CG2 3.5Å; T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.24Å; T128-N132 PolarHBondContact O-N 2.61Å; T128-N132 VanDerWaalsContact O-N 3.13Å; T128-N132 PolarHBondContact O-ND2 3.19Å
129K83.8Confident77.2Confident135 Ų13590.2 Ų90.259%0.58750%0.499SS*.Hα-helixtrans-72.2-41.9174.4-70.7-74.5-179.9179.90112V125 I126 L127 T133V125-K129 HydrophobicContact CG1-CG 4.31Å; V125-K129 WeakPolarHBondContact O-CB 3.41Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 2.96Å; I126-K129 PolarHBondContact O-N 2.88Å; L127-K129 VanDerWaalsContact C-N 3.27Å; L127-K129 PolarHBondContact O-N 3.03Å; K129-T133 WeakPolarHBondContact O-CB 3.49Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 2.9Å
130L81.1Confident75.7Confident119 Ų11993.5 Ų93.562%0.62351%0.507SS*.Hα-helixtrans-64.9-41.6178.1-70.1174.9000111.9I126 L127I126-L130 HydrophobicContact CG2-CD1 3.82Å; I126-L130 HydrophobicContact CG2-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.82Å; L127-L130 PolarHBondContact O-N 3.32Å
131V74.6Confident74.3Confident74 Ų7496.3 Ų96.345%0.44851%0.514SS..Hα-helixtrans-73.1-33.5178.4-57.60000113.4L127 T128L127-V131 WeakPolarHBondContact O-CG1 3.41Å; L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.05Å; T128-V131 WeakPolarHBondContact O-CG2 3.5Å
132N68.9Low72.7Confident126 Ų12695.3 Ų95.367%0.67451%0.507SS*.Hα-helixtrans-83.8-23.5-178.4-74.9-39000113.8T128T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.24Å; T128-N132 PolarHBondContact O-N 2.61Å; T128-N132 VanDerWaalsContact O-N 3.13Å; T128-N132 PolarHBondContact O-ND2 3.19Å
133T59.9Low71.1Confident83 Ų8397.5 Ų97.551%0.50952%0.515SS..Hα-helixtrans-95.4-23.8-163.2-49.60000114.7K129K129-T133 WeakPolarHBondContact O-CB 3.49Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 2.9Å
134N55.7Low69.7Low121 Ų121100.8 Ų100.865%0.64753%0.528SS*.SBendtrans-146.525.9-160.1-68.3-65.1000120.6
135D53.6Low68Low77 Ų77102.1 Ų102.141%0.41253%0.53SS..  trans-161.7122.9162.9-131.5-37.5000118.1S137 V138 Q139D135-S137 WeakPolarHBondContact CB-OG 3.35Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 3.47Å; D135-S137 PolarHBondContact OD1-OG 2.82Å; D135-S137 PolarHBondContact OD2-OG 2.82Å; D135-V138 HydrophobicContact CB-CB 4.09Å; D135-V138 HydrophobicContact CB-CG2 3.75Å; D135-V138 PolarHBondContact O-N 3.18Å; D135-Q139 PolarHBondContact O-N 2.85Å
136P58.8Low66.2Low98 Ų98104.1 Ų104.164%0.63654%0.538SS*.Hα-helixtrans-64-14.2163.126.4-34000113.3K140P136-K140 WeakPolarHBondContact O-CG 3.48Å; P136-K140 PolarHBondContact O-N 2.86Å
137S61Low64.6Low48 Ų48106.1 Ų106.134%0.33655%0.548SS..Hα-helixtrans-71.8-44.3170.973.60000111.8D135 Q139 K140 E141D135-S137 WeakPolarHBondContact CB-OG 3.35Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 3.47Å; D135-S137 PolarHBondContact OD1-OG 2.82Å; D135-S137 PolarHBondContact OD2-OG 2.82Å; S137-Q139 PolarHBondContact O-N 2.81Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.29Å; S137-K140 VanDerWaalsContact O-N 3.11Å; S137-E141 PolarHBondContact O-N 2.89Å
138V60Low63Low54 Ų54106.9 Ų106.933%0.32755%0.552SS.*Hα-helixtrans-69.4-33.9179.51760000111.2D135 K140 E141 M142D135-V138 HydrophobicContact CB-CB 4.09Å; D135-V138 HydrophobicContact CB-CG2 3.75Å; D135-V138 PolarHBondContact O-N 3.18Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-E141 PolarHBondContact O-N 2.75Å; V138-M142 HydrophobicContact CG1-SD 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.32Å; V138-M142 WeakPolarHBondContact O-CB 3.34Å; V138-M142 PolarHBondContact O-N 3.5Å
139Q57.8Low61.5Low113 Ų113108.4 Ų108.453%0.52856%0.558SS.*Hα-helixtrans-66.5-35171.4-69-176.823.700112.3D135 S137 Q143D135-Q139 PolarHBondContact O-N 2.85Å; S137-Q139 PolarHBondContact O-N 2.81Å; Q139-Q143 VanDerWaalsContact O-CB 3.31Å; Q139-Q143 WeakPolarHBondContact O-CB 3.38Å; Q139-Q143 WeakPolarHBondContact O-CG 3.14Å; Q139-Q143 PolarHBondContact O-N 3.47Å
140K63Low60Low149 Ų149107.9 Ų107.965%0.64857%0.569SS**Hα-helixtrans-70.4-38.2173.9-80.7177.5179.7176.30111.8P136 S137 V138 Q143 Q144P136-K140 WeakPolarHBondContact O-CG 3.48Å; P136-K140 PolarHBondContact O-N 2.86Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.29Å; S137-K140 VanDerWaalsContact O-N 3.11Å; V138-K140 VanDerWaalsContact C-N 3.33Å; K140-Q143 PolarHBondContact O-N 3.41Å; K140-Q144 VanDerWaalsContact O-CB 3.26Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 3.44Å
141E62.4Low58.4Low126 Ų126110.3 Ų110.359%0.58958%0.577SS**Hα-helixtrans-70.8-35174.2-69.6-177.6-177.800112.3S137 V138 Q144 M145S137-E141 PolarHBondContact O-N 2.89Å; V138-E141 PolarHBondContact O-N 2.75Å; E141-Q144 CarbonylContact O-C 3.55Å; E141-Q144 PolarHBondContact O-N 2.81Å; E141-M145 VanDerWaalsContact O-CB 3.25Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.44Å; E141-M145 PolarHBondContact O-N 3.22Å
142M58.5Low57Low84 Ų84114 Ų11441%0.41459%0.589SS.*Hα-helixtrans-70.7-31.8171.4-97.4167.778.100112.9V138 Q144 M145 L148V138-M142 HydrophobicContact CG1-SD 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.32Å; V138-M142 WeakPolarHBondContact O-CB 3.34Å; V138-M142 PolarHBondContact O-N 3.5Å; M142-Q144 VanDerWaalsContact C-N 3.3Å; M142-M145 CarbonylContact O-C 3.51Å; M142-L148 HydrophobicContact CB-CD1 3.8Å; M142-L148 HydrophobicContact CE-CD1 3.51Å; M142-L148 HydrophobicContact CE-CD2 4.25Å; M142-L148 HydrophobicContact CE-CG 4.42Å; M142-L148 HydrophobicContact CG-CD1 3.95Å
143Q60.9Low55.9Low152 Ų152116.8 Ų116.871%0.7160%0.598SS**Hα-helixtrans-73.5-26.7172.1-75.2169.220.500111.9Q139 K140Q139-Q143 VanDerWaalsContact O-CB 3.31Å; Q139-Q143 WeakPolarHBondContact O-CB 3.38Å; Q139-Q143 WeakPolarHBondContact O-CG 3.14Å; Q139-Q143 PolarHBondContact O-N 3.47Å; K140-Q143 PolarHBondContact O-N 3.41Å
144Q63Low55.7Low171 Ų171119.6 Ų119.680%0.79961%0.609SS**Hα-helixtrans-85.6-26.2175.9-159.6161.880.300112.1K140 E141 M142 N146K140-Q144 VanDerWaalsContact O-CB 3.26Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 3.44Å; E141-Q144 CarbonylContact O-C 3.55Å; E141-Q144 PolarHBondContact O-N 2.81Å; M142-Q144 VanDerWaalsContact C-N 3.3Å; Q144-N146 PolarHBondContact O-N 2.94Å
145M54.3Low55.7Low111 Ų111118.4 Ų118.455%0.54761%0.608SS.*SBendtrans-83.994.7166.6-72.2-79-99.200108.8E141 M142 I147E141-M145 VanDerWaalsContact O-CB 3.25Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.44Å; E141-M145 PolarHBondContact O-N 3.22Å; M142-M145 CarbonylContact O-C 3.51Å; M145-I147 HydrophobicContact CB-CD1 4.33Å; M145-I147 HydrophobicContact CB-CG1 4.4Å; M145-I147 HydrophobicContact CE-CD1 3.43Å; M145-I147 VanDerWaalsContact CE-CD1 3.43Å; M145-I147 PolarHBondContact O-N 3.09Å; M145-I147 HydrophobicContact SD-CD1 4.1Å
146N53.1Low55.6Low109 Ų109119.4 Ų119.458%0.58361%0.614SS**G310 helixtrans-5722.9169.9-171.648.7000114.8Q144 N149Q144-N146 PolarHBondContact O-N 2.94Å; N146-N149 WeakPolarHBondContact OD1-CB 3.39Å; N146-N149 PolarHBondContact OD1-ND2 3.23Å
147I56.4Low55.6Low120 Ų120121.6 Ų121.662%0.61562%0.617SS**G310 helixtrans-74.8-14172.3-65.2175.8000111.3M145M145-I147 HydrophobicContact CB-CD1 4.33Å; M145-I147 HydrophobicContact CB-CG1 4.4Å; M145-I147 HydrophobicContact CE-CD1 3.43Å; M145-I147 VanDerWaalsContact CE-CD1 3.43Å; M145-I147 PolarHBondContact O-N 3.09Å; M145-I147 HydrophobicContact SD-CD1 4.1Å
148L54.1Low55.7Low113 Ų113121.9 Ų121.959%0.59262%0.619SS**G310 helixtrans-95.916.3176.6-71.9151.6000113.7M142 P150M142-L148 HydrophobicContact CB-CD1 3.8Å; M142-L148 HydrophobicContact CE-CD1 3.51Å; M142-L148 HydrophobicContact CE-CD2 4.25Å; M142-L148 HydrophobicContact CE-CG 4.42Å; M142-L148 HydrophobicContact CG-CD1 3.95Å; L148-P150 WeakPolarHBondContact O-CD 3.39Å
149N49.6Very low55.9Low93 Ų93125.9 Ų125.950%0.49763%0.634SS.*  trans-93.5101.8168-123.7-23.3000108.8N146 Q151N146-N149 WeakPolarHBondContact OD1-CB 3.39Å; N146-N149 PolarHBondContact OD1-ND2 3.23Å; N149-Q151 PolarHBondContact O-N 3.38Å
150P52.8Low56.4Low125 Ų125127.4 Ų127.481%0.81264%0.64SS**THydrogen-bonded Turntrans-71.628.6-172.430-36.8000114.6L148L148-P150 WeakPolarHBondContact O-CD 3.39Å
151Q47.2Very low56.5Low169 Ų169126 Ų12679%0.7964%0.638SS**THydrogen-bonded Turntrans-120.5-7.1-168.6-82.6-96.4-1400114.9N149N149-Q151 PolarHBondContact O-N 3.38Å
152Q46.7Very low56.4Low153 Ų153123 Ų12372%0.71563%0.632SS**SBendtrans-139.2102.4-177-69.6-177.5-38.100112.1
153Q45.8Very low56.5Low183 Ų183122.1 Ų122.186%0.85563%0.634SS**  trans69.253.4153.1-51.2169.834.400116.4
154L54.9Low56.5Low142 Ų142121.2 Ų121.274%0.74363%0.633SS**PPolyproline II helixtrans-101.6124.1152.7-73.8164.5000107.1D156L154-D156 PolarHBondContact O-N 2.97Å; L154-D156 VanDerWaalsContact O-N 3.09Å
155P56.6Low56.3Low97 Ų97116.7 Ų116.763%0.6362%0.62SS**PPolyproline II helixtrans-55.9122.6172.222.7-28.5000106.5M157P155-M157 PolarHBondContact O-N 3.03Å
156D51.9Low56.2Low98 Ų98118.7 Ų118.752%0.52463%0.632SS.*PPolyproline II helixtrans-47.4118.8-174.2-173.60.3000108.1L154 S158 E159L154-D156 PolarHBondContact O-N 2.97Å; L154-D156 VanDerWaalsContact O-N 3.09Å; D156-S158 VanDerWaalsContact CG-CB 3.48Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 3.47Å; D156-S158 VanDerWaalsContact OD1-N 3.12Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 WeakPolarHBondContact OD2-CB 3.49Å; D156-S158 PolarHBondContact OD2-OG 3.13Å; D156-E159 HydrophobicContact CB-CG 4.42Å; D156-E159 PolarHBondContact O-N 2.81Å
157M58Low56.1Low143 Ų143123.1 Ų123.170%0.70465%0.647SS**Hα-helixtrans-58.6-18.7179.5-61-14686.100110.3P155 E159 F160 L161P155-M157 PolarHBondContact O-N 3.03Å; M157-E159 VanDerWaalsContact C-N 3.34Å; M157-F160 PolarHBondContact O-N 3.13Å; M157-L161 VanDerWaalsContact O-CB 3.32Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 WeakPolarHBondContact O-CG 3.48Å; M157-L161 PolarHBondContact O-N 3.44Å
158S63.5Low55.6Low54 Ų54120.2 Ų120.238%0.37865%0.646SS.*Hα-helixtrans-58.5-38.3167.392.40000113D156 S162D156-S158 VanDerWaalsContact CG-CB 3.48Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 3.47Å; D156-S158 VanDerWaalsContact OD1-N 3.12Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 WeakPolarHBondContact OD2-CB 3.49Å; D156-S158 PolarHBondContact OD2-OG 3.13Å; S158-S162 WeakPolarHBondContact O-CA 3.4Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 2.85Å; S158-S162 PolarHBondContact O-OG 2.81Å
159E63.9Low54.9Low138 Ų138117.8 Ų117.865%0.64565%0.649SS**Hα-helixtrans-75.1-31.2178-68.1-162173.300112.5D156 M157 S163D156-E159 HydrophobicContact CB-CG 4.42Å; D156-E159 PolarHBondContact O-N 2.81Å; M157-E159 VanDerWaalsContact C-N 3.34Å; E159-S163 VanDerWaalsContact O-CB 3.31Å; E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.95Å; E159-S163 PolarHBondContact O-OG 3.42Å
160F67.9Low54.3Low146 Ų146121 Ų12164%0.6467%0.665SS**Hα-helixtrans-74.2-40.4174.8-130.5-85.9000111.6M157 S162 S163 L164M157-F160 PolarHBondContact O-N 3.13Å; F160-S162 VanDerWaalsContact C-N 3.34Å; F160-S163 WeakPolarHBondContact CA-OG 3.44Å; F160-S163 PolarHBondContact O-N 2.84Å; F160-S163 PolarHBondContact O-OG 2.8Å; F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.35Å
161L64.4Low54Low118 Ų118122 Ų12262%0.61867%0.669SS**Hα-helixtrans-68.2-36.4171.6-67.8172.2000111.2M157 L164 S165M157-L161 VanDerWaalsContact O-CB 3.32Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 WeakPolarHBondContact O-CG 3.48Å; M157-L161 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-S165 WeakPolarHBondContact O-CB 3.21Å; L161-S165 PolarHBondContact O-N 3Å; L161-S165 PolarHBondContact O-OG 2.58Å
162S61.2Low53.5Low65 Ų65123.8 Ų123.846%0.45568%0.675SS.*Hα-helixtrans-65.3-40.2173.5-62.80000111.9S158 F160 S165 L166S158-S162 WeakPolarHBondContact O-CA 3.4Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 2.85Å; S158-S162 PolarHBondContact O-OG 2.81Å; F160-S162 VanDerWaalsContact C-N 3.34Å; S162-S165 VanDerWaalsContact C-OG 3.27Å; S162-S165 WeakPolarHBondContact CA-OG 3.46Å; S162-S165 CarbonylContact O-C 3.57Å; S162-S165 PolarHBondContact O-N 2.82Å; S162-S165 PolarHBondContact O-OG 3.44Å; S162-L166 PolarHBondContact O-N 2.9Å
163S60.5Low53.3Low65 Ų65126.4 Ų126.446%0.45568%0.684SS.*Hα-helixtrans-74.4-31.6177.661.80000113.1E159 F160 L166E159-S163 VanDerWaalsContact O-CB 3.31Å; E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.95Å; E159-S163 PolarHBondContact O-OG 3.42Å; F160-S163 WeakPolarHBondContact CA-OG 3.44Å; F160-S163 PolarHBondContact O-N 2.84Å; F160-S163 PolarHBondContact O-OG 2.8Å; S163-L166 WeakPolarHBondContact O-CB 3.42Å; S163-L166 PolarHBondContact O-N 3.44Å
164L61.1Low53Low133 Ų133124.5 Ų124.570%0.69669%0.685SS**Hα-helixtrans-71.3-34.3170.3-164.369.8000111.8F160 L161 L166 F167F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.35Å; L161-L164 PolarHBondContact O-N 3.47Å; L164-L166 PolarHBondContact O-N 3.43Å; L164-F167 PolarHBondContact O-N 2.87Å
165S59.5Low52.3Low75 Ų75125.2 Ų125.252%0.52469%0.689SS.*G310 helixtrans-73.3-8.6169.963.30000113.9L161 S162L161-S165 WeakPolarHBondContact O-CB 3.21Å; L161-S165 PolarHBondContact O-N 3Å; L161-S165 PolarHBondContact O-OG 2.58Å; S162-S165 VanDerWaalsContact C-OG 3.27Å; S162-S165 WeakPolarHBondContact CA-OG 3.46Å; S162-S165 CarbonylContact O-C 3.57Å; S162-S165 PolarHBondContact O-N 2.82Å; S162-S165 PolarHBondContact O-OG 3.44Å
166L51.6Low51.6Low154 Ų154126.5 Ų126.581%0.80670%0.698SS**G310 helixtrans-85.1-10.7172.9-145.183.4000113S162 S163 L164 G168S162-L166 PolarHBondContact O-N 2.9Å; S163-L166 WeakPolarHBondContact O-CB 3.42Å; S163-L166 PolarHBondContact O-N 3.44Å; L164-L166 PolarHBondContact O-N 3.43Å; L166-G168 VanDerWaalsContact C-N 3.28Å
167F51.5Low51.3Low202 Ų202128.5 Ų128.589%0.88671%0.714SS**G310 helixtrans-87.53.5170.9-158.4-103.5000112.8L164L164-F167 PolarHBondContact O-N 2.87Å
168G44.2Very low50.4Low59 Ų59127.5 Ų127.561%0.60872%0.716SS**SBendtrans-150.681.1179.400000112.6L166L166-G168 VanDerWaalsContact C-N 3.28Å
169G39.3Very low49.4Very low62 Ų62131.2 Ų131.264%0.63973%0.73SS**  trans93.396.3155.200000117.1
170N38.4Very low48.5Very low159 Ų159131 Ų13185%0.8573%0.733SS**  trans15.2114.5148.4-65.631.4000118.9
171T45.7Very low47.4Very low146 Ų146132.1 Ų132.190%0.89674%0.738SS**  -160126.6122.747.60000111.7
172K38Very low46.3Very low208 Ų208137.2 Ų137.290%0.90475%0.749SS**  trans-83.9129.1168.7-66.4175.8177.8179.70109.1
173K41.5Very low45.3Very low208 Ų208144 Ų14490%0.90477%0.77SS**  trans-143.4128.4151.5-83.2-166179.9176.50111.2
174T40Very low44.4Very low143 Ų143146.8 Ų146.888%0.87779%0.79SS**PPolyproline II helixtrans-90.2144-177.637.80000112.2
175N40.3Very low43.4Very low156 Ų156144.6 Ų144.683%0.83479%0.791SS**PPolyproline II helixtrans-66.1157.3-178.3-71.7-29.2000115.5
176P41.3Very low42.6Very low124 Ų124149.6 Ų149.681%0.80581%0.806SS**PPolyproline II helixtrans-101.5140.2160.935.8-25000112.1
177T44.8Very low42Very low140 Ų140150.4 Ų150.486%0.85980%0.803SS**  trans-119.9144.8171.6-43.30000110.6
178T39.1Very low41.6Very low122 Ų122149.1 Ų149.175%0.74880%0.799SS**  trans-85.5162.8-161.5-37.40000114.2
179I43.3Very low41.5Very low133 Ų133156.3 Ų156.368%0.68281%0.808SS**  trans84.4105.6150.7-28.9-178.9000119.5
180N45.2Very low42Very low132 Ų132161.7 Ų161.771%0.70682%0.817SS**  166118107.2-91.9-54.9000115.3
181K44.1Very low42.5Very low171 Ų171159.8 Ų159.874%0.74381%0.811SS**  41.4118.8130-88.1177.1-178.9170.60121.4
182R41.8Very low42.6Very low224 Ų224159.4 Ų159.485%0.84581%0.808SS**  121.9111.4125.2-78.2168.7172.5176.1-2.3117.1
183K41.1Very low42.8Very low207 Ų207157 Ų15790%0.981%0.805SS**  trans25.1122.1135.6-68.5-177.2174.1-175.10117.8
184S40.1Very low43.1Very low125 Ų125152.5 Ų152.587%0.87480%0.8SS**  175.7153.589.2-158.70000110.6
185A41.4Very low43.4Very low86 Ų86150.6 Ų150.671%0.71180%0.799SS**  trans-65.6152.9-175.800000114.3
186E41Very low43.4Very low180 Ų180146.4 Ų146.484%0.84179%0.792SS**  -172.4153.3121.6-159.757.6-135.500110
187K39.7Very low43.8Very low172 Ų172148.5 Ų148.575%0.74880%0.795SS**  trans-100.4142.7-158.3175-174.2-177.1-174.80111.1
188H43.6Very low43.8Very low175 Ų175147.4 Ų147.481%0.8179%0.793SS**  trans171103.4146.7-110.4-108.5000108.9
189R41.2Very low44.2Very low209 Ų209150.3 Ų150.379%0.78980%0.798SS**  73.7104.175.1-167.9-174.3164.5-164-5.2115.1
190Q50.1Low44.5Very low176 Ų176149.3 Ų149.382%0.82280%0.803SS**  trans161104.3138.7-95.3173.8-12.900107.1
191V49.3Very low44.9Very low119 Ų119148.7 Ų148.772%0.72181%0.806SS**  45.1102.870.9-1680000113.7
192T47.1Very low45.1Very low138 Ų138145.8 Ų145.885%0.84781%0.807SS**  -175.2156.611730.70000110.9
193N42.8Very low45.2Very low157 Ų157143.4 Ų143.484%0.8481%0.806SS**  trans-96.7156.6-156.3-59.8-43.2000113.7
194S48.5Very low45.4Very low113 Ų113143.9 Ų143.979%0.7980%0.804SS**  trans178.9104.2137.835.60000107.2
195A44.8Very low45.9Very low104 Ų104143.7 Ų143.786%0.8680%0.797SS**  42.411086.900000111
196G40.9Very low46.2Very low67 Ų67145.3 Ų145.369%0.69180%0.798SS**  cis120.3135.731.500000107.3
197I49.7Very low46.6Very low168 Ų168142.6 Ų142.686%0.86279%0.794SS**  trans101.296.5174.5-50.4156.4000114.1E199I197-E199 HydrophobicContact CG2-CG 4.35Å
198S44.4Very low47Very low118 Ų118138.9 Ų138.983%0.82579%0.79SS**  trans-111.2114162.61640000106.4
199E48.2Very low47.3Very low182 Ų182138.2 Ų138.285%0.8579%0.792SS**  trans-103.3126.6166.4-76.6-172.7154.300108.5I197I197-E199 HydrophobicContact CG2-CG 4.35Å
200S49.3Very low47.6Very low112 Ų112134 Ų13478%0.78379%0.79SS**  trans-112.6121-179.9-160.20000108
201P53Low47.3Very low119 Ų119129.9 Ų129.977%0.77378%0.78SS**PPolyproline II helixtrans-91.3136.2176.431.6-26.9000111.5
202S49.1Very low47.2Very low110 Ų110132 Ų13277%0.76979%0.788SS**PPolyproline II helixtrans-55.2141.8-179-53.80000114.7
203Q44.9Very low47Very low175 Ų175131.8 Ų131.882%0.81879%0.786SS**PPolyproline II helixtrans-73.3126.4173.6-64.9-122.72700111.6
204Y43.8Very low47.1Very low217 Ų217130.7 Ų130.785%0.85179%0.785SS**  trans-111.9108.6156.9-84.7-85.1000108.3T206Y204-T206 PolarHBondContact O-N 2.87Å
205T50.7Low46.7Very low120 Ų120131.1 Ų131.174%0.73679%0.788SS**  trans-79.3108.9172.6-56.90000109.4V207T205-V207 HydrophobicContact CG2-CG2 4.33Å
206T48.1Very low47.1Very low120 Ų120131.8 Ų131.874%0.73679%0.786SS**  trans-87.5116.8164.7-630000108.1Y204 S208Y204-T206 PolarHBondContact O-N 2.87Å; T206-S208 PolarHBondContact O-N 3.07Å
207V49.4Very low47.2Very low124 Ų124133.9 Ų133.975%0.75279%0.791SS**  trans-84.999.3172.2-177.10000107.9T205T205-V207 HydrophobicContact CG2-CG2 4.33Å
208S48.1Very low47.3Very low94 Ų94131.3 Ų131.366%0.65779%0.788SS**  trans-98.7115.1163.845.50000108.8T206 T210T206-S208 PolarHBondContact O-N 3.07Å; S208-T210 PolarHBondContact O-N 3.48Å
209N49.8Very low47.4Very low160 Ų160133.7 Ų133.786%0.85679%0.791SS**  trans-75.7110171.2-93.2-2.9000109.6
210T47.1Very low47.5Very low121 Ų121130.4 Ų130.474%0.74279%0.788SS**  trans-83.7123.4172.43.30000111S208S208-T210 PolarHBondContact O-N 3.48Å
211S44.6Very low47.4Very low89 Ų89129.8 Ų129.862%0.62279%0.79SS**  trans23.2109.7140.158.10000119.4
212N45.9Very low47.4Very low165 Ų165130.3 Ų130.388%0.88280%0.796SS**  trans-94.199.8150-79.1-15.6000109
213T43.4Very low47.9Very low132 Ų132134.4 Ų134.481%0.8180%0.8SS**  trans-102.8100.6162.1130000107.6
214T46.4Very low48.1Very low135 Ų135137 Ų13783%0.82880%0.802SS**  trans-95.2104.6167.7330000109
215S39.3Very low48.9Very low122 Ų122133.6 Ų133.685%0.85381%0.805SS**  trans-74.8117.6163.551.10000109.4
216S52.2Low49.3Very low117 Ų117134 Ų13482%0.81881%0.807SS**  trans-126.2115.2160.551.50000109.6
217S43.4Very low49.8Very low112 Ų112135.6 Ų135.678%0.78382%0.817SS**  trans-76.5140170.946.70000110.2
218S52.6Low50Low114 Ų114139.3 Ų139.380%0.79782%0.823SS**  trans175.8117138.238.40000113.3
219N45.3Very low51Low168 Ų168139.5 Ų139.590%0.89883%0.83SS**  trans37.8116.7136.7-69.6-11.8000121.8
220S50.3Low51.7Low113 Ų113143.6 Ų143.679%0.7983%0.833SS**  trans-16590.6145.7173.40000108.2
221A48.8Very low51.6Low98 Ų98147.3 Ų147.381%0.8184%0.839SS**  5974.589.800000114.3
222S51.2Low52.3Low130 Ų130147.6 Ų147.691%0.90985%0.847SS**  trans-95.7108.9170.6-151.20000110.6
223K61Low52.6Low196 Ų196152.5 Ų152.585%0.85287%0.865SS**  trans-90.7128.3173.3-83.4179.9177179.30110.3
224R49Very low53Low230 Ų230153.6 Ų153.687%0.86887%0.868SS**  trans25.6118.8144.1-79.4178.7173.8175.4-2.4118.1
225T61.2Low53.4Low146 Ų146154.5 Ų154.590%0.89687%0.87SS**  trans-133.6134.1135.243.50000110.2
226T59.1Low54.2Low128 Ų128156.3 Ų156.379%0.78587%0.871SS**  trans-94.4127.1-17045.20000110.5
227T58.5Low54.3Low153 Ų153158.6 Ų158.694%0.93987%0.874SS**  trans-92117.1168.6-1.50000109.8
228K52.9Low54.9Low203 Ų203161.6 Ų161.688%0.88388%0.879SS**  trans-132.6108.7170.4-172.5-179.2-176.5-178.70108.3
229A67.9Low55.1Low98 Ų98164.7 Ų164.781%0.8189%0.885SS**  trans-155.493.7164.300000106.1
230R65Low55.8Low245 Ų245164.5 Ų164.593%0.92588%0.884SS**  67.6103.583.6-152.5177.1-171.5178.11.3112.9
231K45Very low56.2Low200 Ų200168.5 Ų168.587%0.8789%0.891SS**  trans-78.4134.6169.4178.9-179.2-177.2-1760110
232A60.1Low56.8Low95 Ų95174.3 Ų174.379%0.78590%0.898SS**  trans-174.490.6155.300000109.8
233E51Low57.4Low268 Ų268178.4 Ų178.4100%1.25290%0.897SS**  trans-167.50133.4-133.4172.9142.700108

Retrieved 233 of 233 residues in 226.9 ms (Link to these results)