X6R7S7_HUMAN Loading...

FERM domain containing 7

AlphaFold DB , UniProt , Accession X6R7S7, Species HUMAN (Homo sapiens, Human), Gene FRMD7, Length 594 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
1M93.8Very high95.2Very high84 Ų8430.3 Ų30.341%0.41417%0.166SC..  0-76.80-67.4-171.17800110S3 H4 I5 L57 I60 A61 L64M1-S3 PolarHBondContact O-N 2.67Å; M1-S3 VanDerWaalsContact O-N 3.17Å; M1-H4 WeakPolarHBondContact O-CA 3.43Å; M1-H4 WeakPolarHBondContact O-CB 3.44Å; M1-H4 PolarHBondContact O-N 2.56Å; M1-I5 PolarHBondContact O-N 2.92Å; M1-L57 HydrophobicContact CB-CD1 3.82Å; M1-L57 HydrophobicContact CE-CD1 3.9Å; M1-L57 HydrophobicContact CG-CD1 4.02Å; M1-I60 HydrophobicContact CG-CB 4.24Å; M1-I60 HydrophobicContact CG-CG2 3.6Å; M1-I60 HydrophobicContact SD-CG2 3.89Å; M1-A61 HydrophobicContact CE-CB 3.89Å; M1-L64 HydrophobicContact CE-CD1 4.27Å; M1-L64 HydrophobicContact SD-CD1 3.94Å
2V95.7Very high95.3Very high16 Ų1633.1 Ų33.110%0.09718%0.18CC..Hα-helixtrans-51.7-42.3178.5-175.40000112.5H4 I5 L6 L22 Y27 L28 I38V2-H4 VanDerWaalsContact C-N 3.26Å; V2-H4 PolarHBondContact O-N 3.13Å; V2-I5 WeakPolarHBondContact O-CA 3.18Å; V2-I5 WeakPolarHBondContact O-CB 3.42Å; V2-I5 PolarHBondContact O-N 3.34Å; V2-L6 HydrophobicContact CG1-CG 4.49Å; V2-L6 PolarHBondContact O-N 2.85Å; V2-L22 HydrophobicContact CG1-CD2 4.4Å; V2-Y27 HydrophobicContact CG1-CD2 3.61Å; V2-Y27 HydrophobicContact CG1-CE2 4.08Å; V2-Y27 HydrophobicContact CG1-CG 3.91Å; V2-L28 HydrophobicContact CG2-CD1 3.89Å; V2-L28 HydrophobicContact CG2-CG 4.04Å; V2-I38 HydrophobicContact CB-CD1 4.45Å; V2-I38 HydrophobicContact CB-CG1 4.41Å; V2-I38 HydrophobicContact CB-CG2 4.18Å; V2-I38 HydrophobicContact CG1-CD1 4.26Å; V2-I38 HydrophobicContact CG1-CG2 3.8Å
3S96.7Very high95.4Very high8 Ų833.4 Ų33.46%0.05618%0.179CC..Hα-helixtrans-56.4-30173.851.70000115.8M1 Q7 F41 H45M1-S3 PolarHBondContact O-N 2.67Å; M1-S3 VanDerWaalsContact O-N 3.17Å; S3-Q7 PolarHBondContact O-N 3.36Å; S3-Q7 VanDerWaalsContact O-N 3.14Å; S3-F41 WeakPolarHBondContact OG-CB 3.26Å; S3-H45 PolarHBondContact O-CD2 2.69Å; S3-H45 PolarHBondContact OG-NE2 3.37Å
4H96.8Very high95.4Very high12 Ų1239.5 Ų39.56%0.05621%0.206CC..Hα-helixtrans-79.1-32.2172.6-69.8-65.9000111.9M1 V2 L6 Q7 S8 H45 L57M1-H4 WeakPolarHBondContact O-CA 3.43Å; M1-H4 WeakPolarHBondContact O-CB 3.44Å; M1-H4 PolarHBondContact O-N 2.56Å; V2-H4 VanDerWaalsContact C-N 3.26Å; V2-H4 PolarHBondContact O-N 3.13Å; H4-L6 VanDerWaalsContact C-N 3.32Å; H4-Q7 PolarHBondContact O-N 3.41Å; H4-S8 WeakPolarHBondContact O-CB 3.39Å; H4-S8 PolarHBondContact O-N 2.99Å; H4-S8 PolarHBondContact O-OG 3.42Å; H4-H45 AromaticContact CD2-NE2 3.94Å; H4-H45 AromaticContact CE1-CD2 3.88Å; H4-H45 AromaticContact CE1-CE1 3.21Å; H4-H45 PolarHBondContact CE1-CE1 2.97Å; H4-H45 AromaticContact CE1-ND1 3.67Å; H4-H45 AromaticContact CE1-NE2 3.31Å; H4-H45 PolarHBondContact CE1-NE2 3.25Å; H4-H45 VanDerWaalsContact CE1-NE2 3.31Å; H4-H45 AromaticContact CG-NE2 3.86Å; H4-H45 AromaticContact ND1-CD2 3.67Å; H4-H45 AromaticContact ND1-CE1 3.79Å; H4-H45 AromaticContact ND1-NE2 3.48Å; H4-H45 PolarHBondContact ND1-NE2 3.28Å; H4-H45 AromaticContact NE2-CE1 3.6Å; H4-H45 AromaticContact NE2-NE2 3.59Å; H4-L57 HydrophobicContact CB-CB 4.07Å
5I95.9Very high95.4Very high36 Ų3643.6 Ų43.619%0.18522%0.223CC..Hα-helixtrans-62.4-45.1172.3-58173.5000109.1M1 V2 S8 E9 Y27 L57M1-I5 PolarHBondContact O-N 2.92Å; V2-I5 WeakPolarHBondContact O-CA 3.18Å; V2-I5 WeakPolarHBondContact O-CB 3.42Å; V2-I5 PolarHBondContact O-N 3.34Å; I5-S8 PolarHBondContact O-N 3.03Å; I5-E9 HydrophobicContact CG2-CG 4.19Å; I5-E9 VanDerWaalsContact CG2-OE1 3.26Å; I5-E9 WeakPolarHBondContact CG2-OE1 3.31Å; I5-E9 VanDerWaalsContact O-CB 3.3Å; I5-E9 WeakPolarHBondContact O-CB 3.23Å; I5-E9 WeakPolarHBondContact O-CG 3.37Å; I5-E9 PolarHBondContact O-N 2.86Å; I5-Y27 HydrophobicContact CB-CE1 4.46Å; I5-Y27 HydrophobicContact CD1-CD1 4.31Å; I5-Y27 HydrophobicContact CD1-CE1 4.45Å; I5-Y27 HydrophobicContact CG2-CD1 4.48Å; I5-Y27 HydrophobicContact CG2-CE1 3.62Å; I5-L57 HydrophobicContact CD1-CD2 4.33Å; I5-L57 HydrophobicContact CG1-CD1 4.25Å; I5-L57 HydrophobicContact CG1-CD2 3.62Å
6L96.1Very high95.3Very high0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-58.2-52.4173.7-60.3-175.9000111.9V2 H4 S8 E9 L10 L22 Y27 I38 H42V2-L6 HydrophobicContact CG1-CG 4.49Å; V2-L6 PolarHBondContact O-N 2.85Å; H4-L6 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.77Å; L6-E9 PolarHBondContact O-N 3.33Å; L6-L10 HydrophobicContact CB-CD1 4.43Å; L6-L10 HydrophobicContact CD2-CD1 4.08Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 PolarHBondContact O-N 2.82Å; L6-L22 HydrophobicContact CD1-CD1 4.25Å; L6-L22 HydrophobicContact CD1-CD2 4.33Å; L6-L22 HydrophobicContact CD1-CG 4.42Å; L6-L22 HydrophobicContact CD2-CD2 4.29Å; L6-Y27 HydrophobicContact CD2-CE2 4.06Å; L6-I38 HydrophobicContact CD1-CG2 3.58Å; L6-H42 HydrophobicContact CD1-CB 4.36Å
7Q96.7Very high95.2Very high1 Ų152.7 Ų52.71%0.00527%0.27CS..Hα-helixtrans-57.5-34.8178.7-173.872.238.800112.3S3 H4 G11 D12 H42 H45 R48 S53S3-Q7 PolarHBondContact O-N 3.36Å; S3-Q7 VanDerWaalsContact O-N 3.14Å; H4-Q7 PolarHBondContact O-N 3.41Å; Q7-G11 WeakPolarHBondContact CA-O 3.46Å; Q7-G11 WeakPolarHBondContact O-CA 3.18Å; Q7-G11 PolarHBondContact O-N 2.9Å; Q7-D12 PolarHBondContact NE2-OD1 2.91Å; Q7-H42 VanDerWaalsContact CA-NE2 3.3Å; Q7-H42 WeakPolarHBondContact CA-NE2 3.22Å; Q7-H42 PolarHBondContact N-NE2 2.96Å; Q7-H42 PolarHBondContact OE1-CD2 3.36Å; Q7-H42 PolarHBondContact OE1-NE2 3.02Å; Q7-H45 HydrophobicContact CB-CB 4.1Å; Q7-H45 VanDerWaalsContact CD-O 3.23Å; Q7-H45 HydrophobicContact CG-CB 3.85Å; Q7-H45 PolarHBondContact NE2-O 2.9Å; Q7-H45 VanDerWaalsContact OE1-C 3.25Å; Q7-H45 PolarHBondContact OE1-O 3.39Å; Q7-R48 HydrophobicContact CG-CB 4.27Å; Q7-R48 PolarHBondContact NE2-O 3.02Å; Q7-S53 VanDerWaalsContact CG-OG 3.24Å; Q7-S53 WeakPolarHBondContact CG-OG 3.26Å
8S95.1Very high95.2Very high2 Ų249.8 Ų49.81%0.01426%0.255CS..Hα-helixtrans-82-19.8177.3-57.10000115.2H4 I5 L6 P50 S53 D54 R205H4-S8 WeakPolarHBondContact O-CB 3.39Å; H4-S8 PolarHBondContact O-N 2.99Å; H4-S8 PolarHBondContact O-OG 3.42Å; I5-S8 PolarHBondContact O-N 3.03Å; L6-S8 PolarHBondContact O-N 2.77Å; S8-P50 PolarHBondContact OG-O 2.8Å; S8-P50 VanDerWaalsContact OG-O 3.07Å; S8-S53 WeakPolarHBondContact OG-CB 3.43Å; S8-D54 WeakPolarHBondContact CB-OD1 3.41Å; S8-D54 PolarHBondContact OG-N 3.21Å; S8-D54 PolarHBondContact OG-OD1 3.11Å; S8-R205 VanDerWaalsContact C-NH1 3.33Å; S8-R205 VanDerWaalsContact CB-NH2 3.3Å; S8-R205 PolarHBondContact O-NH1 3.25Å
9E92.8Very high95.2Very high89 Ų8953.1 Ų53.142%0.41626%0.264SS..Hα-helixtrans-101.1-35.2-177.8-74.3177.6-179.800113.2I5 L6 H21 Y27I5-E9 HydrophobicContact CG2-CG 4.19Å; I5-E9 VanDerWaalsContact CG2-OE1 3.26Å; I5-E9 WeakPolarHBondContact CG2-OE1 3.31Å; I5-E9 VanDerWaalsContact O-CB 3.3Å; I5-E9 WeakPolarHBondContact O-CB 3.23Å; I5-E9 WeakPolarHBondContact O-CG 3.37Å; I5-E9 PolarHBondContact O-N 2.86Å; L6-E9 PolarHBondContact O-N 3.33Å; E9-H21 IonicContact OE2-NE2 2.62Å; E9-Y27 PolarHBondContact OE2-OH 2.84Å
10L94.1Very high95.2Very high58 Ų5857.3 Ų57.330%0.30428%0.28SS..Hα-helixtrans-108.6-19.6-174.3-55.5-179.6000113.3L6 T17 H21L6-L10 HydrophobicContact CB-CD1 4.43Å; L6-L10 HydrophobicContact CD2-CD1 4.08Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 PolarHBondContact O-N 2.82Å; L10-T17 HydrophobicContact CD1-CG2 4.4Å; L10-T17 HydrophobicContact CD2-CG2 4.39Å; L10-H21 HydrophobicContact CD1-CB 4.05Å; L10-H21 HydrophobicContact CD2-CB 4.48Å
11G93.6Very high95.1Very high27 Ų2756.2 Ų56.228%0.27828%0.275SS..  trans82.1-149.9-165.100000111.1Q7 H42Q7-G11 WeakPolarHBondContact CA-O 3.46Å; Q7-G11 WeakPolarHBondContact O-CA 3.18Å; Q7-G11 PolarHBondContact O-N 2.9Å; G11-H42 PolarHBondContact O-NE2 3.42Å; G11-H42 VanDerWaalsContact O-NE2 3.08Å
12D96.5Very high95.2Very high64 Ų6452.6 Ų52.634%0.34226%0.257SS..SBendtrans-64.5148.2-177.6-69.8-27.8000113.3Q7 H14 I46 G47Q7-D12 PolarHBondContact NE2-OD1 2.91Å; D12-H14 PolarHBondContact O-N 3.5Å; D12-H14 PolarHBondContact O-ND1 3.04Å; D12-I46 HydrophobicContact CB-CG1 4.39Å; D12-I46 HydrophobicContact CB-CG2 4.39Å; D12-I46 VanDerWaalsContact OD1-CA 3.29Å; D12-I46 WeakPolarHBondContact OD1-CA 3.48Å; D12-G47 PolarHBondContact OD1-N 2.81Å
13F96.5Very high95Very high37 Ų3756 Ų5616%0.16229%0.286CS..  trans-51.5125-178.7172.2-100.9000114.3E15 D18 M39 H42 Q43 I46F13-E15 HydrophobicContact CE1-CB 4.38Å; F13-E15 HydrophobicContact CZ-CB 4.02Å; F13-E15 HydrophobicContact CZ-CG 4.24Å; F13-D18 HydrophobicContact CD2-CB 4.36Å; F13-D18 VanDerWaalsContact CD2-CG 3.45Å; F13-D18 WeakPolarHBondContact CD2-OD1 3.39Å; F13-D18 WeakPolarHBondContact CD2-OD2 3.39Å; F13-D18 HydrophobicContact CE2-CB 4.06Å; F13-M39 HydrophobicContact CE2-CB 3.82Å; F13-M39 HydrophobicContact CE2-CE 3.96Å; F13-M39 HydrophobicContact CE2-CG 4.23Å; F13-M39 HydrophobicContact CZ-CB 4.4Å; F13-M39 HydrophobicContact CZ-CE 4.05Å; F13-H42 HydrophobicContact CD2-CB 4.02Å; F13-H42 AromaticContact CD2-ND1 3.71Å; F13-Q43 HydrophobicContact CB-CB 4.47Å; F13-Q43 HydrophobicContact CD1-CB 3.96Å; F13-Q43 HydrophobicContact CD1-CG 3.96Å; F13-Q43 HydrophobicContact CE1-CB 4.38Å; F13-Q43 HydrophobicContact CE1-CG 4.35Å; F13-Q43 HydrophobicContact CG-CB 4.07Å; F13-I46 HydrophobicContact CB-CD1 4.32Å; F13-I46 HydrophobicContact CB-CG1 4.19Å
14H96Very high94.9Very high119 Ų11962.3 Ų62.355%0.55132%0.315SS*.  trans-135.9113.8173.3-74.578000109.4D12 E16 T17 D18D12-H14 PolarHBondContact O-N 3.5Å; D12-H14 PolarHBondContact O-ND1 3.04Å; H14-E16 PolarHBondContact O-N 2.77Å; H14-E16 VanDerWaalsContact O-N 3.16Å; H14-T17 WeakPolarHBondContact O-CB 3.34Å; H14-T17 PolarHBondContact O-N 2.7Å; H14-D18 PolarHBondContact N-OD1 3.23Å; H14-D18 WeakPolarHBondContact O-CB 2.93Å; H14-D18 PolarHBondContact O-N 3.41Å
15E94.3Very high94.7Very high101 Ų10164.2 Ų64.247%0.47233%0.328SS..Hα-helixtrans-53.6-43.6-164.6-163.6-179.5156.700114.8F13 R19 M39F13-E15 HydrophobicContact CE1-CB 4.38Å; F13-E15 HydrophobicContact CZ-CB 4.02Å; F13-E15 HydrophobicContact CZ-CG 4.24Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.33Å; E15-R19 VanDerWaalsContact O-N 3.12Å; E15-R19 IonicContact OE1-CZ 2.9Å; E15-R19 IonicContact OE1-NH1 2.69Å; E15-R19 PolarHBondContact OE1-NH1 3.47Å; E15-R19 IonicContact OE1-NH2 2.68Å; E15-R19 PolarHBondContact OE1-NH2 3.16Å; E15-M39 HydrophobicContact CB-CE 4.39Å; E15-M39 HydrophobicContact CG-CE 3.53Å
16E94.8Very high94.5Very high171 Ų17169.7 Ų69.780%0.79935%0.346SS*.Hα-helixtrans-70.4-41.3178.4-61.5-173.1169.800112.7H14 K20H14-E16 PolarHBondContact O-N 2.77Å; H14-E16 VanDerWaalsContact O-N 3.16Å; E16-K20 VanDerWaalsContact O-CB 3.24Å; E16-K20 WeakPolarHBondContact O-CB 3.39Å; E16-K20 PolarHBondContact O-N 3.04Å
17T94Very high94.3Very high71 Ų7171.5 Ų71.544%0.43635%0.353SS..Hα-helixtrans-64.7-47.4177.7-51.20000110.6L10 H14 K20 H21L10-T17 HydrophobicContact CD1-CG2 4.4Å; L10-T17 HydrophobicContact CD2-CG2 4.39Å; H14-T17 WeakPolarHBondContact O-CB 3.34Å; H14-T17 PolarHBondContact O-N 2.7Å; T17-K20 PolarHBondContact O-N 2.75Å; T17-H21 VanDerWaalsContact O-CB 3.27Å; T17-H21 WeakPolarHBondContact O-CB 3.3Å; T17-H21 PolarHBondContact O-N 3.21Å
18D94.6Very high94.1Very high1 Ų174.1 Ų74.11%0.00537%0.367CS..Hα-helixtrans-55.3-53.1175.5-94.665.2000111.7F13 H14 H21 L22 M39 H42F13-D18 HydrophobicContact CD2-CB 4.36Å; F13-D18 VanDerWaalsContact CD2-CG 3.45Å; F13-D18 WeakPolarHBondContact CD2-OD1 3.39Å; F13-D18 WeakPolarHBondContact CD2-OD2 3.39Å; F13-D18 HydrophobicContact CE2-CB 4.06Å; H14-D18 PolarHBondContact N-OD1 3.23Å; H14-D18 WeakPolarHBondContact O-CB 2.93Å; H14-D18 PolarHBondContact O-N 3.41Å; D18-H21 PolarHBondContact O-N 3.17Å; D18-L22 WeakPolarHBondContact O-CB 3.46Å; D18-L22 WeakPolarHBondContact O-CG 3.3Å; D18-L22 PolarHBondContact O-N 2.94Å; D18-M39 HydrophobicContact CB-CE 4.15Å; D18-M39 HydrophobicContact CB-CG 4.39Å; D18-H42 VanDerWaalsContact CG-ND1 3.27Å; D18-H42 IonicContact OD1-CE1 3.2Å; D18-H42 PolarHBondContact OD1-CE1 3.04Å; D18-H42 VanDerWaalsContact OD1-CE1 3.32Å; D18-H42 IonicContact OD1-ND1 2.86Å; D18-H42 PolarHBondContact OD1-ND1 2.83Å; D18-H42 IonicContact OD2-CE1 2.71Å; D18-H42 IonicContact OD2-CG 3.28Å; D18-H42 IonicContact OD2-ND1 3.31Å; D18-H42 PolarHBondContact OD2-ND1 2.92Å
19R94.8Very high93.9Very high112 Ų11279.2 Ų79.242%0.42340%0.4SS..Hα-helixtrans-61.8-46.1179.3-74.7-160.6-178.4104.213.7112.1E15 H21 L22 A23 E35 M39E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.33Å; E15-R19 VanDerWaalsContact O-N 3.12Å; E15-R19 IonicContact OE1-CZ 2.9Å; E15-R19 IonicContact OE1-NH1 2.69Å; E15-R19 PolarHBondContact OE1-NH1 3.47Å; E15-R19 IonicContact OE1-NH2 2.68Å; E15-R19 PolarHBondContact OE1-NH2 3.16Å; R19-H21 VanDerWaalsContact C-N 3.29Å; R19-H21 PolarHBondContact O-N 3.39Å; R19-L22 PolarHBondContact O-N 2.73Å; R19-A23 VanDerWaalsContact O-CB 3.32Å; R19-A23 WeakPolarHBondContact O-CB 3.37Å; R19-A23 PolarHBondContact O-N 3.02Å; R19-E35 WeakPolarHBondContact CG-OE1 3.41Å; R19-E35 IonicContact NE-OE1 3.61Å; R19-M39 HydrophobicContact CG-CE 3.64Å; R19-M39 HydrophobicContact CG-SD 3.95Å
20K94.8Very high93.7Very high136 Ų13679.1 Ų79.159%0.59140%0.402SS*.Hα-helixtrans-60.3-41.6179-177.5179.2176.5-176.70111.4E16 T17 Q24E16-K20 VanDerWaalsContact O-CB 3.24Å; E16-K20 WeakPolarHBondContact O-CB 3.39Å; E16-K20 PolarHBondContact O-N 3.04Å; T17-K20 PolarHBondContact O-N 2.75Å; K20-Q24 WeakPolarHBondContact O-CB 3.35Å; K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.22Å; K20-Q24 PolarHBondContact O-N 3.41Å
21H94.6Very high93.6Very high36 Ų3676.5 Ų76.517%0.16739%0.388CS..Hα-helixtrans-69.8-43.1178-168.476000112.1E9 L10 T17 D18 R19 A23 Q24 T25 Y27E9-H21 IonicContact OE2-NE2 2.62Å; L10-H21 HydrophobicContact CD1-CB 4.05Å; L10-H21 HydrophobicContact CD2-CB 4.48Å; T17-H21 VanDerWaalsContact O-CB 3.27Å; T17-H21 WeakPolarHBondContact O-CB 3.3Å; T17-H21 PolarHBondContact O-N 3.21Å; D18-H21 PolarHBondContact O-N 3.17Å; R19-H21 VanDerWaalsContact C-N 3.29Å; R19-H21 PolarHBondContact O-N 3.39Å; H21-A23 VanDerWaalsContact C-N 3.3Å; H21-A23 PolarHBondContact O-N 2.77Å; H21-Q24 CarbonylContact O-C 3.6Å; H21-Q24 PolarHBondContact O-N 2.87Å; H21-Q24 VanDerWaalsContact O-N 3.08Å; H21-T25 WeakPolarHBondContact O-CB 3.42Å; H21-T25 PolarHBondContact O-N 2.79Å; H21-Y27 PolarHBondContact CD2-OH 2.9Å; H21-Y27 AromaticContact NE2-CZ 3.92Å; H21-Y27 PolarHBondContact NE2-OH 3.3Å
22L94.3Very high93.5Very high8 Ų880 Ų804%0.04240%0.401CS..Hα-helixtrans-69-25.1176-69.7171.9000113.4V2 L6 D18 R19 Y27 Q31 E35 I38 M39V2-L22 HydrophobicContact CG1-CD2 4.4Å; L6-L22 HydrophobicContact CD1-CD1 4.25Å; L6-L22 HydrophobicContact CD1-CD2 4.33Å; L6-L22 HydrophobicContact CD1-CG 4.42Å; L6-L22 HydrophobicContact CD2-CD2 4.29Å; D18-L22 WeakPolarHBondContact O-CB 3.46Å; D18-L22 WeakPolarHBondContact O-CG 3.3Å; D18-L22 PolarHBondContact O-N 2.94Å; R19-L22 PolarHBondContact O-N 2.73Å; L22-Y27 HydrophobicContact CD2-CD2 4.08Å; L22-Y27 HydrophobicContact CD2-CE2 4.08Å; L22-Q31 PolarHBondContact O-NE2 2.93Å; L22-E35 HydrophobicContact CB-CG 4.46Å; L22-E35 HydrophobicContact CD1-CG 3.87Å; L22-I38 HydrophobicContact CD1-CB 4.39Å; L22-I38 HydrophobicContact CD1-CG2 3.98Å; L22-I38 HydrophobicContact CD2-CG2 4.26Å; L22-M39 HydrophobicContact CD1-CG 4.23Å
23A92.8Very high93.3Very high86 Ų8682.2 Ų82.271%0.71142%0.42SS*.Hα-helixtrans-75.5-24.6169.700000113R19 H21R19-A23 VanDerWaalsContact O-CB 3.32Å; R19-A23 WeakPolarHBondContact O-CB 3.37Å; R19-A23 PolarHBondContact O-N 3.02Å; H21-A23 VanDerWaalsContact C-N 3.3Å; H21-A23 PolarHBondContact O-N 2.77Å
24Q93Very high93.2Very high142 Ų14282.7 Ų82.766%0.66442%0.424SS*.Hα-helixtrans-97.1-28.4-178.5-71.5179.1-1400113.5K20 H21K20-Q24 WeakPolarHBondContact O-CB 3.35Å; K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.22Å; K20-Q24 PolarHBondContact O-N 3.41Å; H21-Q24 CarbonylContact O-C 3.6Å; H21-Q24 PolarHBondContact O-N 2.87Å; H21-Q24 VanDerWaalsContact O-N 3.08Å
25T93.1Very high93.1Very high51 Ų5179.7 Ų79.731%0.31341%0.41SS..  trans-123.4111.2-172.4-57.80000111.1H21 Y27 Q31H21-T25 WeakPolarHBondContact O-CB 3.42Å; H21-T25 PolarHBondContact O-N 2.79Å; T25-Y27 HydrophobicContact CG2-CD1 4.38Å; T25-Y27 HydrophobicContact CG2-CD2 4.23Å; T25-Y27 HydrophobicContact CG2-CE1 3.89Å; T25-Y27 HydrophobicContact CG2-CE2 3.72Å; T25-Q31 PolarHBondContact O-NE2 3.39Å
26R92.1Very high93.2Very high151 Ų15177.4 Ų77.457%0.5741%0.413SS*.  trans-93.6101.4-178.6-161.6175-166.2103.35.8111.6L28 P29 D32R26-L28 WeakPolarHBondContact CG-O 3.23Å; R26-L28 PolarHBondContact NE-O 2.87Å; R26-P29 PolarHBondContact NH2-O 2.93Å; R26-D32 IonicContact CZ-OD1 3.61Å; R26-D32 IonicContact CZ-OD2 3.42Å; R26-D32 IonicContact NH1-OD1 2.76Å; R26-D32 IonicContact NH1-OD2 3.71Å; R26-D32 IonicContact NH2-OD1 2.73Å; R26-D32 IonicContact NH2-OD2 3.15Å; R26-D32 PolarHBondContact NH2-OD2 2.82Å
27Y92.1Very high93.3Very high39 Ų3975.8 Ų75.815%0.15340%0.404CS..  trans-85.9-24.8176.2-58.6-82.4000113.6V2 I5 L6 E9 H21 L22 T25V2-Y27 HydrophobicContact CG1-CD2 3.61Å; V2-Y27 HydrophobicContact CG1-CE2 4.08Å; V2-Y27 HydrophobicContact CG1-CG 3.91Å; I5-Y27 HydrophobicContact CB-CE1 4.46Å; I5-Y27 HydrophobicContact CD1-CD1 4.31Å; I5-Y27 HydrophobicContact CD1-CE1 4.45Å; I5-Y27 HydrophobicContact CG2-CD1 4.48Å; I5-Y27 HydrophobicContact CG2-CE1 3.62Å; L6-Y27 HydrophobicContact CD2-CE2 4.06Å; E9-Y27 PolarHBondContact OE2-OH 2.84Å; H21-Y27 PolarHBondContact CD2-OH 2.9Å; H21-Y27 AromaticContact NE2-CZ 3.92Å; H21-Y27 PolarHBondContact NE2-OH 3.3Å; L22-Y27 HydrophobicContact CD2-CD2 4.08Å; L22-Y27 HydrophobicContact CD2-CE2 4.08Å; T25-Y27 HydrophobicContact CG2-CD1 4.38Å; T25-Y27 HydrophobicContact CG2-CD2 4.23Å; T25-Y27 HydrophobicContact CG2-CE1 3.89Å; T25-Y27 HydrophobicContact CG2-CE2 3.72Å
28L92.3Very high93.4Very high56 Ų5673 Ų7329%0.29339%0.386SS..SBendtrans-134.6146.1-174.5-63.8174.2000111.8V2 R26 N30 Q31 L34V2-L28 HydrophobicContact CG2-CD1 3.89Å; V2-L28 HydrophobicContact CG2-CG 4.04Å; R26-L28 WeakPolarHBondContact CG-O 3.23Å; R26-L28 PolarHBondContact NE-O 2.87Å; L28-N30 VanDerWaalsContact C-N 3.27Å; L28-N30 PolarHBondContact O-N 2.82Å; L28-Q31 HydrophobicContact CB-CB 4.17Å; L28-Q31 WeakPolarHBondContact O-CB 3.36Å; L28-Q31 PolarHBondContact O-N 2.84Å; L28-L34 HydrophobicContact CD1-CD1 3.9Å
29P90Very high93.5Very high108 Ų10873.5 Ų73.570%0.70139%0.388SS*.THydrogen-bonded Turntrans-58.2-38.2174.4-25.735.2000113.1R26R26-P29 PolarHBondContact NH2-O 2.93Å
30N89.6Confident93.6Very high87 Ų8773.4 Ų73.447%0.46539%0.393SS..THydrogen-bonded Turntrans-106.531.1-178.565.3-26.4000113.3L28 D32 C33L28-N30 VanDerWaalsContact C-N 3.27Å; L28-N30 PolarHBondContact O-N 2.82Å; N30-D32 VanDerWaalsContact C-N 3.29Å; N30-D32 PolarHBondContact O-N 3.05Å; N30-C33 PolarHBondContact O-N 2.81Å
31Q91.7Very high93.7Very high4 Ų472 Ų722%0.01939%0.387CS..G310 helixtrans-53.6-43.4-175.7-178.8156.3-58.900113.5L22 T25 L28 C33 L34 E35 I38L22-Q31 PolarHBondContact O-NE2 2.93Å; T25-Q31 PolarHBondContact O-NE2 3.39Å; L28-Q31 HydrophobicContact CB-CB 4.17Å; L28-Q31 WeakPolarHBondContact O-CB 3.36Å; L28-Q31 PolarHBondContact O-N 2.84Å; Q31-C33 VanDerWaalsContact C-N 3.26Å; Q31-C33 PolarHBondContact O-N 2.73Å; Q31-L34 CarbonylContact O-C 3.56Å; Q31-L34 WeakPolarHBondContact O-CA 3.4Å; Q31-L34 PolarHBondContact O-N 2.83Å; Q31-E35 PolarHBondContact O-N 3.31Å; Q31-I38 HydrophobicContact CG-CD1 4.31Å
32D91.2Very high93.8Very high101 Ų10170.3 Ų70.354%0.5438%0.379SS..G310 helixtrans-58.9-38-174.8-33-49.4000111.4R26 N30 L34R26-D32 IonicContact CZ-OD1 3.61Å; R26-D32 IonicContact CZ-OD2 3.42Å; R26-D32 IonicContact NH1-OD1 2.76Å; R26-D32 IonicContact NH1-OD2 3.71Å; R26-D32 IonicContact NH2-OD1 2.73Å; R26-D32 IonicContact NH2-OD2 3.15Å; R26-D32 PolarHBondContact NH2-OD2 2.82Å; N30-D32 VanDerWaalsContact C-N 3.29Å; N30-D32 PolarHBondContact O-N 3.05Å; D32-L34 PolarHBondContact O-N 2.96Å
33C92.8Very high94Very high110 Ų11074.8 Ų74.874%0.74340%0.399SS*.G310 helixtrans-76.9-3.5175.5-61.20000114.3N30 Q31N30-C33 PolarHBondContact O-N 2.81Å; Q31-C33 VanDerWaalsContact C-N 3.26Å; Q31-C33 PolarHBondContact O-N 2.73Å
34L94.5Very high94.2Very high46 Ų4676.3 Ų76.324%0.24139%0.39CS..THydrogen-bonded Turntrans-123.7-8.5-174.4-64.3177.1000113.3L28 Q31 D32 G36 K37 I38L28-L34 HydrophobicContact CD1-CD1 3.9Å; Q31-L34 CarbonylContact O-C 3.56Å; Q31-L34 WeakPolarHBondContact O-CA 3.4Å; Q31-L34 PolarHBondContact O-N 2.83Å; D32-L34 PolarHBondContact O-N 2.96Å; L34-G36 PolarHBondContact O-N 3.24Å; L34-K37 HydrophobicContact CD2-CD 4.15Å; L34-K37 CarbonylContact O-C 3.53Å; L34-K37 WeakPolarHBondContact O-CA 3.39Å; L34-K37 WeakPolarHBondContact O-CB 3.5Å; L34-K37 PolarHBondContact O-N 3.01Å; L34-I38 HydrophobicContact CB-CD1 4.15Å; L34-I38 HydrophobicContact CB-CG1 4.44Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.09Å
35E94.5Very high94.3Very high57 Ų5770.2 Ų70.227%0.26636%0.361SS..Hα-helixtrans-48.1-56.8-174.3-169-169.6123.900112.5R19 L22 Q31 K37 I38 M39R19-E35 WeakPolarHBondContact CG-OE1 3.41Å; R19-E35 IonicContact NE-OE1 3.61Å; L22-E35 HydrophobicContact CB-CG 4.46Å; L22-E35 HydrophobicContact CD1-CG 3.87Å; Q31-E35 PolarHBondContact O-N 3.31Å; E35-K37 PolarHBondContact O-N 3.36Å; E35-K37 VanDerWaalsContact O-N 3.14Å; E35-I38 WeakPolarHBondContact O-CA 3.36Å; E35-I38 WeakPolarHBondContact O-CB 3.31Å; E35-I38 PolarHBondContact O-N 2.91Å; E35-M39 HydrophobicContact CG-SD 4.14Å; E35-M39 WeakPolarHBondContact O-CG 3.49Å; E35-M39 PolarHBondContact O-N 3.07Å
36G95.1Very high94.4Very high52 Ų5272.2 Ų72.254%0.53637%0.369SS..Hα-helixtrans-60.5-26.5178.400000114.4L34 H40L34-G36 PolarHBondContact O-N 3.24Å; G36-H40 WeakPolarHBondContact O-CB 3.5Å; G36-H40 PolarHBondContact O-N 3.32Å; G36-H40 VanDerWaalsContact O-N 3.08Å
37K96.8Very high94.6Very high137 Ų13768.1 Ų68.160%0.59637%0.374SS*.Hα-helixtrans-76.6-38.9171.9-64.4179.7-179.7174.40111.3L34 E35 H40 F41L34-K37 HydrophobicContact CD2-CD 4.15Å; L34-K37 CarbonylContact O-C 3.53Å; L34-K37 WeakPolarHBondContact O-CA 3.39Å; L34-K37 WeakPolarHBondContact O-CB 3.5Å; L34-K37 PolarHBondContact O-N 3.01Å; E35-K37 PolarHBondContact O-N 3.36Å; E35-K37 VanDerWaalsContact O-N 3.14Å; K37-H40 PolarHBondContact O-N 3.39Å; K37-F41 WeakPolarHBondContact O-CD2 3.22Å; K37-F41 PolarHBondContact O-N 2.9Å
38I96.5Very high94.7Very high12 Ų1270.9 Ų70.96%0.06238%0.384CS..Hα-helixtrans-61.2-49.8176.2-65.5164.5000109.5V2 L6 L22 Q31 L34 E35 F41 H42V2-I38 HydrophobicContact CB-CD1 4.45Å; V2-I38 HydrophobicContact CB-CG1 4.41Å; V2-I38 HydrophobicContact CB-CG2 4.18Å; V2-I38 HydrophobicContact CG1-CD1 4.26Å; V2-I38 HydrophobicContact CG1-CG2 3.8Å; L6-I38 HydrophobicContact CD1-CG2 3.58Å; L22-I38 HydrophobicContact CD1-CB 4.39Å; L22-I38 HydrophobicContact CD1-CG2 3.98Å; L22-I38 HydrophobicContact CD2-CG2 4.26Å; Q31-I38 HydrophobicContact CG-CD1 4.31Å; L34-I38 HydrophobicContact CB-CD1 4.15Å; L34-I38 HydrophobicContact CB-CG1 4.44Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.09Å; E35-I38 WeakPolarHBondContact O-CA 3.36Å; E35-I38 WeakPolarHBondContact O-CB 3.31Å; E35-I38 PolarHBondContact O-N 2.91Å; I38-F41 PolarHBondContact O-N 2.72Å; I38-H42 PolarHBondContact O-N 3.35Å
39M96.3Very high94.8Very high12 Ų1270.3 Ų70.36%0.05939%0.385CS..Hα-helixtrans-58.8-48.7175.5-64.417581.400111.9F13 E15 D18 R19 L22 E35 F41 H42 Q43F13-M39 HydrophobicContact CE2-CB 3.82Å; F13-M39 HydrophobicContact CE2-CE 3.96Å; F13-M39 HydrophobicContact CE2-CG 4.23Å; F13-M39 HydrophobicContact CZ-CB 4.4Å; F13-M39 HydrophobicContact CZ-CE 4.05Å; E15-M39 HydrophobicContact CB-CE 4.39Å; E15-M39 HydrophobicContact CG-CE 3.53Å; D18-M39 HydrophobicContact CB-CE 4.15Å; D18-M39 HydrophobicContact CB-CG 4.39Å; R19-M39 HydrophobicContact CG-CE 3.64Å; R19-M39 HydrophobicContact CG-SD 3.95Å; L22-M39 HydrophobicContact CD1-CG 4.23Å; E35-M39 HydrophobicContact CG-SD 4.14Å; E35-M39 WeakPolarHBondContact O-CG 3.49Å; E35-M39 PolarHBondContact O-N 3.07Å; M39-F41 PolarHBondContact O-N 3.07Å; M39-H42 WeakPolarHBondContact O-CB 3.31Å; M39-H42 PolarHBondContact O-N 3.08Å; M39-Q43 PolarHBondContact O-N 3.19Å
40H97.2Very high95Very high111 Ų11167.4 Ų67.451%0.51437%0.366SS..Hα-helixtrans-60.8-30.1177.2178.170.1000113.7G36 K37 K44G36-H40 WeakPolarHBondContact O-CB 3.5Å; G36-H40 PolarHBondContact O-N 3.32Å; G36-H40 VanDerWaalsContact O-N 3.08Å; K37-H40 PolarHBondContact O-N 3.39Å; H40-K44 WeakPolarHBondContact O-CG 3.39Å
41F97.3Very high95.1Very high106 Ų10664.4 Ų64.447%0.46535%0.354SS..Hα-helixtrans-80.5-31.1171.1-77.3-61.2000113S3 K37 I38 M39 K44 H45S3-F41 WeakPolarHBondContact OG-CB 3.26Å; K37-F41 WeakPolarHBondContact O-CD2 3.22Å; K37-F41 PolarHBondContact O-N 2.9Å; I38-F41 PolarHBondContact O-N 2.72Å; M39-F41 PolarHBondContact O-N 3.07Å; F41-K44 HydrophobicContact CD1-CD 4.47Å; F41-K44 PolarHBondContact O-N 2.93Å; F41-H45 PolarHBondContact O-CD2 3.14Å; F41-H45 VanDerWaalsContact O-CD2 3.25Å; F41-H45 PolarHBondContact O-CE1 3.27Å; F41-H45 PolarHBondContact O-NE2 3.34Å
42H97.6Very high95.2Very high0 Ų069 Ų690%038%0.375CS..Hα-helixtrans-66.8-42.6176.2-171.1-161.4000111.3L6 Q7 G11 F13 D18 I38 M39 K44 H45L6-H42 HydrophobicContact CD1-CB 4.36Å; Q7-H42 VanDerWaalsContact CA-NE2 3.3Å; Q7-H42 WeakPolarHBondContact CA-NE2 3.22Å; Q7-H42 PolarHBondContact N-NE2 2.96Å; Q7-H42 PolarHBondContact OE1-CD2 3.36Å; Q7-H42 PolarHBondContact OE1-NE2 3.02Å; G11-H42 PolarHBondContact O-NE2 3.42Å; G11-H42 VanDerWaalsContact O-NE2 3.08Å; F13-H42 HydrophobicContact CD2-CB 4.02Å; F13-H42 AromaticContact CD2-ND1 3.71Å; D18-H42 VanDerWaalsContact CG-ND1 3.27Å; D18-H42 IonicContact OD1-CE1 3.2Å; D18-H42 PolarHBondContact OD1-CE1 3.04Å; D18-H42 VanDerWaalsContact OD1-CE1 3.32Å; D18-H42 IonicContact OD1-ND1 2.86Å; D18-H42 PolarHBondContact OD1-ND1 2.83Å; D18-H42 IonicContact OD2-CE1 2.71Å; D18-H42 IonicContact OD2-CG 3.28Å; D18-H42 IonicContact OD2-ND1 3.31Å; D18-H42 PolarHBondContact OD2-ND1 2.92Å; I38-H42 PolarHBondContact O-N 3.35Å; M39-H42 WeakPolarHBondContact O-CB 3.31Å; M39-H42 PolarHBondContact O-N 3.08Å; H42-K44 PolarHBondContact O-N 3.46Å; H42-H45 PolarHBondContact O-N 3.44Å
43Q97.3Very high95.4Very high102 Ų10264.2 Ų64.248%0.47735%0.349SS..G310 helixtrans-55.4-24.2172.1-165.5-176.128.600113.6F13 M39 H45 I46F13-Q43 HydrophobicContact CB-CB 4.47Å; F13-Q43 HydrophobicContact CD1-CB 3.96Å; F13-Q43 HydrophobicContact CD1-CG 3.96Å; F13-Q43 HydrophobicContact CE1-CB 4.38Å; F13-Q43 HydrophobicContact CE1-CG 4.35Å; F13-Q43 HydrophobicContact CG-CB 4.07Å; M39-Q43 PolarHBondContact O-N 3.19Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; Q43-I46 HydrophobicContact CG-CD1 4.17Å; Q43-I46 WeakPolarHBondContact O-CD1 3.29Å; Q43-I46 WeakPolarHBondContact O-CG1 3.4Å
44K96.9Very high95.4Very high119 Ų11959.8 Ų59.852%0.51732%0.318SS..G310 helixtrans-875.3176.6-67.7176.3177.3177.10114.2H40 F41 H42H40-K44 WeakPolarHBondContact O-CG 3.39Å; F41-K44 HydrophobicContact CD1-CD 4.47Å; F41-K44 PolarHBondContact O-N 2.93Å; H42-K44 PolarHBondContact O-N 3.46Å
45H95.9Very high95.4Very high13 Ų1361.6 Ų61.66%0.0633%0.327CS..G310 helixtrans-114.6-0178.6-56.4-32.6000113.7S3 H4 Q7 F41 H42 Q43 G47 R48S3-H45 PolarHBondContact O-CD2 2.69Å; S3-H45 PolarHBondContact OG-NE2 3.37Å; H4-H45 AromaticContact CD2-NE2 3.94Å; H4-H45 AromaticContact CE1-CD2 3.88Å; H4-H45 AromaticContact CE1-CE1 3.21Å; H4-H45 PolarHBondContact CE1-CE1 2.97Å; H4-H45 AromaticContact CE1-ND1 3.67Å; H4-H45 AromaticContact CE1-NE2 3.31Å; H4-H45 PolarHBondContact CE1-NE2 3.25Å; H4-H45 VanDerWaalsContact CE1-NE2 3.31Å; H4-H45 AromaticContact CG-NE2 3.86Å; H4-H45 AromaticContact ND1-CD2 3.67Å; H4-H45 AromaticContact ND1-CE1 3.79Å; H4-H45 AromaticContact ND1-NE2 3.48Å; H4-H45 PolarHBondContact ND1-NE2 3.28Å; H4-H45 AromaticContact NE2-CE1 3.6Å; H4-H45 AromaticContact NE2-NE2 3.59Å; Q7-H45 HydrophobicContact CB-CB 4.1Å; Q7-H45 VanDerWaalsContact CD-O 3.23Å; Q7-H45 HydrophobicContact CG-CB 3.85Å; Q7-H45 PolarHBondContact NE2-O 2.9Å; Q7-H45 VanDerWaalsContact OE1-C 3.25Å; Q7-H45 PolarHBondContact OE1-O 3.39Å; F41-H45 PolarHBondContact O-CD2 3.14Å; F41-H45 VanDerWaalsContact O-CD2 3.25Å; F41-H45 PolarHBondContact O-CE1 3.27Å; F41-H45 PolarHBondContact O-NE2 3.34Å; H42-H45 PolarHBondContact O-N 3.44Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; H45-G47 PolarHBondContact O-N 3.15Å; H45-R48 PolarHBondContact ND1-NH1 2.91Å; H45-R48 WeakPolarHBondContact O-CB 3.47Å; H45-R48 VanDerWaalsContact O-CG 3.26Å; H45-R48 WeakPolarHBondContact O-CG 3.27Å; H45-R48 PolarHBondContact O-N 2.78Å
46I95.7Very high95.4Very high93 Ų9361.7 Ų61.748%0.47733%0.329SS..THydrogen-bonded Turntrans-48134.7177.5-65.6171.8000111.1D12 F13 Q43 R48D12-I46 HydrophobicContact CB-CG1 4.39Å; D12-I46 HydrophobicContact CB-CG2 4.39Å; D12-I46 VanDerWaalsContact OD1-CA 3.29Å; D12-I46 WeakPolarHBondContact OD1-CA 3.48Å; F13-I46 HydrophobicContact CB-CD1 4.32Å; F13-I46 HydrophobicContact CB-CG1 4.19Å; Q43-I46 HydrophobicContact CG-CD1 4.17Å; Q43-I46 WeakPolarHBondContact O-CD1 3.29Å; Q43-I46 WeakPolarHBondContact O-CG1 3.4Å; I46-R48 VanDerWaalsContact C-N 3.32Å
47G94.4Very high95.4Very high65 Ų6560.7 Ų60.767%0.6731%0.312SS*.THydrogen-bonded Turntrans82.9-1.9-176.700000114.8D12 H45D12-G47 PolarHBondContact OD1-N 2.81Å; H45-G47 PolarHBondContact O-N 3.15Å
48R95Very high95.3Very high98 Ų9858.6 Ų58.637%0.3731%0.306SS..  trans-87.4134.4174.6-66.9178.2168.1161.5-3.4111.5Q7 H45 I46Q7-R48 HydrophobicContact CG-CB 4.27Å; Q7-R48 PolarHBondContact NE2-O 3.02Å; H45-R48 PolarHBondContact ND1-NH1 2.91Å; H45-R48 WeakPolarHBondContact O-CB 3.47Å; H45-R48 VanDerWaalsContact O-CG 3.26Å; H45-R48 WeakPolarHBondContact O-CG 3.27Å; H45-R48 PolarHBondContact O-N 2.78Å; I46-R48 VanDerWaalsContact C-N 3.32Å
49S94.1Very high95.2Very high43 Ų4360.6 Ų60.630%0.30132%0.317SS..  trans-66156.5172.168.50000112A51 E52 S53S49-A51 PolarHBondContact O-N 3.36Å; S49-E52 VanDerWaalsContact CB-OE2 3.26Å; S49-E52 WeakPolarHBondContact CB-OE2 3.48Å; S49-E52 PolarHBondContact N-OE2 2.93Å; S49-E52 PolarHBondContact O-N 3.18Å; S49-E52 WeakPolarHBondContact OG-CG 3.34Å; S49-E52 PolarHBondContact OG-N 2.89Å; S49-E52 PolarHBondContact OG-OE2 3.11Å; S49-S53 PolarHBondContact O-N 3.02Å
50P94Very high95.1Very high47 Ų4763 Ų6331%0.30533%0.33SS..Hα-helixtrans-55.9-31.9169.2-29.437.4000113.7S8 D54S8-P50 PolarHBondContact OG-O 2.8Å; S8-P50 VanDerWaalsContact OG-O 3.07Å; P50-D54 VanDerWaalsContact O-CB 3.31Å; P50-D54 WeakPolarHBondContact O-CB 3.49Å; P50-D54 PolarHBondContact O-N 3.06Å
51A91.6Very high95Very high25 Ų2558.2 Ų58.221%0.20731%0.309CS..Hα-helixtrans-66.9-45.8178.200000112.1S49 D54 I55 F203S49-A51 PolarHBondContact O-N 3.36Å; A51-D54 PolarHBondContact O-N 3.1Å; A51-I55 WeakPolarHBondContact O-CD1 3.28Å; A51-I55 VanDerWaalsContact O-CG1 3.27Å; A51-I55 WeakPolarHBondContact O-CG1 3.28Å; A51-I55 PolarHBondContact O-N 2.84Å; A51-F203 HydrophobicContact CB-CD1 4.18Å; A51-F203 WeakPolarHBondContact CB-O 3.5Å
52E93.9Very high94.7Very high101 Ų10159.8 Ų59.847%0.47231%0.312SS..Hα-helixtrans-66.7-40.6176.4-68.2160.9114.700111.6S49 I55 L56S49-E52 VanDerWaalsContact CB-OE2 3.26Å; S49-E52 WeakPolarHBondContact CB-OE2 3.48Å; S49-E52 PolarHBondContact N-OE2 2.93Å; S49-E52 PolarHBondContact O-N 3.18Å; S49-E52 WeakPolarHBondContact OG-CG 3.34Å; S49-E52 PolarHBondContact OG-N 2.89Å; S49-E52 PolarHBondContact OG-OE2 3.11Å; E52-I55 PolarHBondContact O-N 2.81Å; E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 2.8Å
53S95.5Very high94.5Very high0 Ų066.5 Ų66.50%034%0.341CS..Hα-helixtrans-66.5-36.4177.4-73.70000112.7Q7 S8 S49 L56 L57Q7-S53 VanDerWaalsContact CG-OG 3.24Å; Q7-S53 WeakPolarHBondContact CG-OG 3.26Å; S8-S53 WeakPolarHBondContact OG-CB 3.43Å; S49-S53 PolarHBondContact O-N 3.02Å; S53-L56 PolarHBondContact O-N 3.44Å; S53-L57 VanDerWaalsContact O-CB 3.27Å; S53-L57 WeakPolarHBondContact O-CB 2.89Å; S53-L57 PolarHBondContact O-N 3.41Å
54D94.1Very high94.2Very high16 Ų1666 Ų669%0.08634%0.341CS..Hα-helixtrans-66.9-40.6171.8-74.9-5.8000112.2S8 P50 A51 L57 L58 F203 R205S8-D54 WeakPolarHBondContact CB-OD1 3.41Å; S8-D54 PolarHBondContact OG-N 3.21Å; S8-D54 PolarHBondContact OG-OD1 3.11Å; P50-D54 VanDerWaalsContact O-CB 3.31Å; P50-D54 WeakPolarHBondContact O-CB 3.49Å; P50-D54 PolarHBondContact O-N 3.06Å; A51-D54 PolarHBondContact O-N 3.1Å; D54-L57 PolarHBondContact O-N 3.49Å; D54-L58 WeakPolarHBondContact O-CG 3.15Å; D54-L58 PolarHBondContact O-N 2.68Å; D54-F203 HydrophobicContact CB-CD1 4.44Å; D54-F203 HydrophobicContact CB-CE1 3.82Å; D54-R205 VanDerWaalsContact CG-NH2 3.27Å; D54-R205 IonicContact OD1-CZ 2.67Å; D54-R205 IonicContact OD1-NE 3.98Å; D54-R205 IonicContact OD1-NH2 3.83Å; D54-R205 PolarHBondContact OD1-NH2 3.49Å; D54-R205 IonicContact OD2-CZ 3.53Å; D54-R205 VanDerWaalsContact OD2-CZ 3.3Å; D54-R205 IonicContact OD2-NE 3.29Å; D54-R205 PolarHBondContact OD2-NE 2.99Å; D54-R205 IonicContact OD2-NH2 2.79Å; D54-R205 PolarHBondContact OD2-NH2 3.25Å
55I92.8Very high93.7Very high84 Ų8465.7 Ų65.743%0.43135%0.345SS..Hα-helixtrans-61.8-47.7173.6-70.3163.8000110.4A51 E52 L57 L58 D59A51-I55 WeakPolarHBondContact O-CD1 3.28Å; A51-I55 VanDerWaalsContact O-CG1 3.27Å; A51-I55 WeakPolarHBondContact O-CG1 3.28Å; A51-I55 PolarHBondContact O-N 2.84Å; E52-I55 PolarHBondContact O-N 2.81Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.41Å; I55-L58 PolarHBondContact O-N 2.81Å; I55-D59 WeakPolarHBondContact O-CB 3.33Å; I55-D59 PolarHBondContact O-N 3.01Å
56L94.9Very high93.5Very high60 Ų6067.9 Ų67.931%0.31436%0.356SS..Hα-helixtrans-64.1-36.3177.5-70.5171.6000112.6E52 S53 D59 I60E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 2.8Å; S53-L56 PolarHBondContact O-N 3.44Å; L56-D59 PolarHBondContact O-N 3.44Å; L56-I60 VanDerWaalsContact O-CG1 3.32Å; L56-I60 WeakPolarHBondContact O-CG1 3.43Å; L56-I60 PolarHBondContact O-N 3.02Å
57L95.3Very high93.2Very high31 Ų3169.3 Ų69.316%0.16236%0.357CS..Hα-helixtrans-61.2-47.6173.1176.963.1000111.3M1 H4 I5 S53 D54 I55 D59 I60 A61M1-L57 HydrophobicContact CB-CD1 3.82Å; M1-L57 HydrophobicContact CE-CD1 3.9Å; M1-L57 HydrophobicContact CG-CD1 4.02Å; H4-L57 HydrophobicContact CB-CB 4.07Å; I5-L57 HydrophobicContact CD1-CD2 4.33Å; I5-L57 HydrophobicContact CG1-CD1 4.25Å; I5-L57 HydrophobicContact CG1-CD2 3.62Å; S53-L57 VanDerWaalsContact O-CB 3.27Å; S53-L57 WeakPolarHBondContact O-CB 2.89Å; S53-L57 PolarHBondContact O-N 3.41Å; D54-L57 PolarHBondContact O-N 3.49Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.41Å; L57-D59 VanDerWaalsContact C-N 3.32Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-A61 VanDerWaalsContact O-CB 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.3Å
58L94.3Very high93Very high93 Ų9368.8 Ų68.849%0.48735%0.351SS..Hα-helixtrans-64.7-36.5175.4-69.2171000111.9D54 I55 I60 A61 R62D54-L58 WeakPolarHBondContact O-CG 3.15Å; D54-L58 PolarHBondContact O-N 2.68Å; I55-L58 PolarHBondContact O-N 2.81Å; L58-I60 VanDerWaalsContact C-N 3.31Å; L58-I60 PolarHBondContact O-N 2.81Å; L58-A61 PolarHBondContact O-N 3.26Å; L58-R62 WeakPolarHBondContact O-CB 3.21Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.27Å; L58-R62 PolarHBondContact O-N 3.31Å
59D94.4Very high92.8Very high54 Ų5465 Ų6529%0.28934%0.338SS..Hα-helixtrans-69.7-24.7178.3-110.434.6000114.3I55 L56 L57 R62 K63I55-D59 WeakPolarHBondContact O-CB 3.33Å; I55-D59 PolarHBondContact O-N 3.01Å; L56-D59 PolarHBondContact O-N 3.44Å; L57-D59 VanDerWaalsContact C-N 3.32Å; D59-R62 IonicContact OD1-CZ 3.75Å; D59-R62 IonicContact OD1-NE 3.21Å; D59-R62 PolarHBondContact OD1-NE 2.97Å; D59-R62 IonicContact OD1-NH2 2.79Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; D59-R62 IonicContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 2.98Å; D59-R62 IonicContact OD2-NH2 2.75Å; D59-R62 PolarHBondContact OD2-NH2 3.16Å; D59-K63 WeakPolarHBondContact O-CD 3.19Å; D59-K63 WeakPolarHBondContact O-CE 3.27Å; D59-K63 WeakPolarHBondContact O-CG 3.28Å; D59-K63 PolarHBondContact O-NZ 3.01Å; D59-K63 VanDerWaalsContact O-NZ 3.08Å
60I95.1Very high92.7Very high62 Ų6265.5 Ų65.532%0.31833%0.333SS..Hα-helixtrans-82.1-48167-64161.5000109.6M1 L56 L57 L58 R62 K63M1-I60 HydrophobicContact CG-CB 4.24Å; M1-I60 HydrophobicContact CG-CG2 3.6Å; M1-I60 HydrophobicContact SD-CG2 3.89Å; L56-I60 VanDerWaalsContact O-CG1 3.32Å; L56-I60 WeakPolarHBondContact O-CG1 3.43Å; L56-I60 PolarHBondContact O-N 3.02Å; L57-I60 PolarHBondContact O-N 2.96Å; L58-I60 VanDerWaalsContact C-N 3.31Å; L58-I60 PolarHBondContact O-N 2.81Å; I60-R62 PolarHBondContact O-N 3.3Å; I60-K63 WeakPolarHBondContact O-CB 3.49Å; I60-K63 PolarHBondContact O-N 2.86Å; I60-K63 VanDerWaalsContact O-N 3.11Å
61A94.2Very high92.7Very high10 Ų1065 Ų658%0.08333%0.33CS..Hα-helixtrans-57.1-46-176.200000112.2M1 L57 L58 K63 L64 Y67M1-A61 HydrophobicContact CE-CB 3.89Å; L57-A61 VanDerWaalsContact O-CB 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.3Å; L58-A61 PolarHBondContact O-N 3.26Å; A61-K63 PolarHBondContact O-N 3.3Å; A61-L64 WeakPolarHBondContact O-CB 3.3Å; A61-L64 WeakPolarHBondContact O-CG 3.42Å; A61-L64 PolarHBondContact O-N 3.31Å; A61-Y67 HydrophobicContact CB-CD2 3.73Å; A61-Y67 HydrophobicContact CB-CE2 3.72Å; A61-Y67 VanDerWaalsContact O-CB 3.23Å; A61-Y67 WeakPolarHBondContact O-CB 3.27Å; A61-Y67 WeakPolarHBondContact O-CD2 3.36Å
62R92.4Very high92.9Very high139 Ų13966.3 Ų66.353%0.52533%0.332SS..THydrogen-bonded Turntrans-63.9-8-179.773.5-177.7170.479.7-4.4115.4L58 D59 I60 Y67L58-R62 WeakPolarHBondContact O-CB 3.21Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.27Å; L58-R62 PolarHBondContact O-N 3.31Å; D59-R62 IonicContact OD1-CZ 3.75Å; D59-R62 IonicContact OD1-NE 3.21Å; D59-R62 PolarHBondContact OD1-NE 2.97Å; D59-R62 IonicContact OD1-NH2 2.79Å; D59-R62 PolarHBondContact OD1-NH2 2.89Å; D59-R62 IonicContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 2.98Å; D59-R62 IonicContact OD2-NH2 2.75Å; D59-R62 PolarHBondContact OD2-NH2 3.16Å; I60-R62 PolarHBondContact O-N 3.3Å; R62-Y67 HydrophobicContact CB-CD1 4.3Å; R62-Y67 HydrophobicContact CB-CE1 4.22Å
63K92.7Very high93Very high142 Ų14265.2 Ų65.262%0.61733%0.333SS*.THydrogen-bonded Turntrans-95.7-8.1176.6-62.7168.7-176.7152.60112.7D59 I60 A61D59-K63 WeakPolarHBondContact O-CD 3.19Å; D59-K63 WeakPolarHBondContact O-CE 3.27Å; D59-K63 WeakPolarHBondContact O-CG 3.28Å; D59-K63 PolarHBondContact O-NZ 3.01Å; D59-K63 VanDerWaalsContact O-NZ 3.08Å; I60-K63 WeakPolarHBondContact O-CB 3.49Å; I60-K63 PolarHBondContact O-N 2.86Å; I60-K63 VanDerWaalsContact O-N 3.11Å; A61-K63 PolarHBondContact O-N 3.3Å
64L90.1Very high93.1Very high91 Ų9165.3 Ų65.348%0.47633%0.334SS..SBendtrans-82.8133.3178.7-55.4177.4000110.6M1 A61 M66 Y67M1-L64 HydrophobicContact CE-CD1 4.27Å; M1-L64 HydrophobicContact SD-CD1 3.94Å; A61-L64 WeakPolarHBondContact O-CB 3.3Å; A61-L64 WeakPolarHBondContact O-CG 3.42Å; A61-L64 PolarHBondContact O-N 3.31Å; L64-M66 PolarHBondContact O-N 3.34Å; L64-Y67 VanDerWaalsContact O-CB 3.28Å; L64-Y67 WeakPolarHBondContact O-CB 3.39Å; L64-Y67 PolarHBondContact O-N 3.36Å
65D87.4Confident93.3Very high113 Ų11365.5 Ų65.560%0.60434%0.337SS*.THydrogen-bonded Turntrans-54.4-29.6-179.5-96-62.7000114.5I69 K99D65-I69 WeakPolarHBondContact O-CG1 3.2Å; D65-K99 IonicContact OD1-NZ 2.67Å; D65-K99 PolarHBondContact OD1-NZ 3.16Å
66M90.6Very high93.3Very high59 Ų5963.2 Ų63.229%0.29133%0.325SS..THydrogen-bonded Turntrans-92.92.7-178.9-62.5-57.8-67.900113.8L64 G68 I69 L94L64-M66 PolarHBondContact O-N 3.34Å; M66-G68 PolarHBondContact O-N 3.28Å; M66-I69 HydrophobicContact CE-CB 4.26Å; M66-I69 HydrophobicContact CE-CG2 3.94Å; M66-I69 WeakPolarHBondContact O-CB 3.43Å; M66-I69 PolarHBondContact O-N 2.97Å; M66-I69 VanDerWaalsContact O-N 3.12Å; M66-I69 HydrophobicContact SD-CG2 4.39Å; M66-L94 HydrophobicContact CE-CD2 4.09Å; M66-L94 HydrophobicContact SD-CD2 3.56Å; M66-L94 VanDerWaalsContact SD-CD2 3.56Å
67Y91.3Very high92.9Very high123 Ų12363.8 Ų63.848%0.48235%0.346SS..THydrogen-bonded Turntrans-65.9121.9-178.9-179.6-99.4000112.2A61 R62 L64 I69A61-Y67 HydrophobicContact CB-CD2 3.73Å; A61-Y67 HydrophobicContact CB-CE2 3.72Å; A61-Y67 VanDerWaalsContact O-CB 3.23Å; A61-Y67 WeakPolarHBondContact O-CB 3.27Å; A61-Y67 WeakPolarHBondContact O-CD2 3.36Å; R62-Y67 HydrophobicContact CB-CD1 4.3Å; R62-Y67 HydrophobicContact CB-CE1 4.22Å; L64-Y67 VanDerWaalsContact O-CB 3.28Å; L64-Y67 WeakPolarHBondContact O-CB 3.39Å; L64-Y67 PolarHBondContact O-N 3.36Å; Y67-I69 PolarHBondContact O-N 3.03Å
68G88.9Confident92.7Very high54 Ų5471 Ų7156%0.55738%0.379SS*.THydrogen-bonded Turntrans69.67.4-175.900000114.6M66M66-G68 PolarHBondContact O-N 3.28Å
69I90.9Very high92.5Very high19 Ų1968.6 Ų68.610%0.09738%0.377CS..  trans-87.5117.9179.4-56.3-48.1000109.4D65 M66 Y67 P71 A85 A87 L92 L94D65-I69 WeakPolarHBondContact O-CG1 3.2Å; M66-I69 HydrophobicContact CE-CB 4.26Å; M66-I69 HydrophobicContact CE-CG2 3.94Å; M66-I69 WeakPolarHBondContact O-CB 3.43Å; M66-I69 PolarHBondContact O-N 2.97Å; M66-I69 VanDerWaalsContact O-N 3.12Å; M66-I69 HydrophobicContact SD-CG2 4.39Å; Y67-I69 PolarHBondContact O-N 3.03Å; I69-P71 WeakPolarHBondContact O-CD 3.33Å; I69-A85 HydrophobicContact CG2-CB 3.59Å; I69-A87 HydrophobicContact CD1-CB 4.27Å; I69-L92 HydrophobicContact CD1-CD1 3.66Å; I69-L92 HydrophobicContact CG1-CD1 4.37Å; I69-L94 HydrophobicContact CG2-CD1 4.18Å
70R92.7Very high92.5Very high52 Ų5269.8 Ų69.820%0.19638%0.382CS..  trans-102105171.5-70.4179.3-65.9172.87.3108.9H72 A85 Y154 S219 E486R70-H72 PolarHBondContact O-CD2 2.83Å; R70-H72 VanDerWaalsContact O-CD2 3.31Å; R70-A85 WeakPolarHBondContact O-CB 3.45Å; R70-Y154 PolarHBondContact NH2-OH 3.14Å; R70-Y154 VanDerWaalsContact NH2-OH 3.09Å; R70-S219 PolarHBondContact NH1-O 2.95Å; R70-E486 IonicContact CZ-OE1 3.71Å; R70-E486 IonicContact CZ-OE2 3.79Å; R70-E486 VanDerWaalsContact CZ-OE2 3.29Å; R70-E486 IonicContact NH1-OE1 2.7Å; R70-E486 IonicContact NH1-OE2 2.91Å; R70-E486 PolarHBondContact NH1-OE2 3.18Å; R70-E486 IonicContact NH2-OE1 3.52Å; R70-E486 PolarHBondContact NH2-OE1 2.99Å; R70-E486 IonicContact NH2-OE2 3.79Å; R70-E486 PolarHBondContact NH2-OE2 2.89Å
71P93.9Very high92.6Very high36 Ų3672.9 Ų72.923%0.23440%0.395CS..  trans-76.5139.4178.629.4-33.1000111.8I69 H83I69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-H83 HydrophobicContact CB-CB 3.63Å
72H95.4Very high92.7Very high54 Ų5472.6 Ų72.625%0.2539%0.392CS..EExtended strand (participates in β ladder)trans-120.3120174.2-63.9-95.1000109.8R70 A74 H83 L84 M138 F147R70-H72 PolarHBondContact O-CD2 2.83Å; R70-H72 VanDerWaalsContact O-CD2 3.31Å; H72-A74 PolarHBondContact O-N 2.86Å; H72-H83 WeakPolarHBondContact O-CA 3.38Å; H72-L84 WeakPolarHBondContact CB-O 3.46Å; H72-L84 PolarHBondContact N-O 2.86Å; H72-L84 PolarHBondContact O-N 3.29Å; H72-M138 HydrophobicContact CB-CE 3.71Å; H72-F147 HydrophobicContact CB-CD2 4.11Å; H72-F147 HydrophobicContact CB-CE2 4.44Å; H72-F147 AromaticContact CD2-CD2 3.43Å; H72-F147 VanDerWaalsContact CD2-CD2 3.43Å; H72-F147 WeakPolarHBondContact CD2-CD2 3.47Å; H72-F147 AromaticContact CD2-CE2 3.63Å; H72-F147 AromaticContact CG-CD2 3.71Å; H72-F147 AromaticContact NE2-CD2 3.88Å
73P96.6Very high93Very high77 Ų7767.4 Ų67.450%0.537%0.373SS..EExtended strand (participates in β ladder)trans-56.4130.8178.5-2936.6000114
74A97.5Very high93.2Very high3 Ų360.6 Ų60.63%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-150.7171.4177.800000110.9H72 I82 L84 T137 M138H72-A74 PolarHBondContact O-N 2.86Å; A74-I82 HydrophobicContact CB-CG1 4.25Å; A74-I82 PolarHBondContact N-O 3.17Å; A74-I82 WeakPolarHBondContact O-CG1 3.46Å; A74-I82 PolarHBondContact O-N 2.84Å; A74-L84 HydrophobicContact CB-CD1 4.09Å; A74-L84 HydrophobicContact CB-CG 3.95Å; A74-T137 CarbonylContact C-O 3.56Å; A74-T137 WeakPolarHBondContact CA-O 3.4Å; A74-M138 HydrophobicContact CB-CG 4.15Å
75S97.1Very high93.5Very high20 Ų2056.3 Ų56.314%0.1432%0.321CS..EExtended strand (participates in β ladder)trans-124.4150.1165-35.50000108.9M80 Q81 F136 T137S75-M80 VanDerWaalsContact CA-O 3.23Å; S75-M80 WeakPolarHBondContact CA-O 3.34Å; S75-Q81 PolarHBondContact OG-NE2 3.2Å; S75-Q81 PolarHBondContact OG-OE1 2.98Å; S75-F136 CarbonylContact O-C 3.43Å; S75-F136 VanDerWaalsContact O-CA 3.31Å; S75-F136 WeakPolarHBondContact O-CA 3.45Å; S75-T137 PolarHBondContact N-O 2.79Å; S75-T137 PolarHBondContact O-N 3.41Å
76D94.1Very high94Very high35 Ų3551 Ų5119%0.18729%0.293CS..  trans-76.8-168.4171.563.417.3000112.4E78 G79 M80 I82 F136D76-E78 PolarHBondContact O-N 3.07Å; D76-E78 WeakPolarHBondContact OD1-CA 3.37Å; D76-E78 PolarHBondContact OD1-N 2.94Å; D76-G79 PolarHBondContact OD1-N 2.97Å; D76-M80 PolarHBondContact N-O 2.89Å; D76-M80 PolarHBondContact OD1-N 3.19Å; D76-M80 WeakPolarHBondContact OD2-CB 3.37Å; D76-I82 HydrophobicContact CB-CD1 4.12Å; D76-F136 HydrophobicContact CB-CD1 4.31Å; D76-F136 HydrophobicContact CB-CE1 4.38Å
77G86.4Confident94.1Very high73 Ų7348.6 Ų48.675%0.75328%0.282SS*.SBendtrans-73.6-6.4176.400000114.9
78E89.8Confident94.1Very high181 Ų18148.2 Ų48.285%0.84629%0.285SS*.SBendtrans-107.4-10.9178.5-65.7174.2-159.100111.5D76D76-E78 PolarHBondContact O-N 3.07Å; D76-E78 WeakPolarHBondContact OD1-CA 3.37Å; D76-E78 PolarHBondContact OD1-N 2.94Å
79G90.6Very high94.3Very high43 Ų4349 Ų4944%0.44328%0.275SS..  trans96.74.7178.200000114.2D76 Q81D76-G79 PolarHBondContact OD1-N 2.97Å; G79-Q81 PolarHBondContact O-N 2.92Å; G79-Q81 PolarHBondContact O-NE2 2.62Å
80M95.2Very high94.5Very high79 Ų7948 Ų4839%0.38927%0.27SS..  trans-66.4130.4177.7-165.2-176.5-51.200110S75 D76S75-M80 VanDerWaalsContact CA-O 3.23Å; S75-M80 WeakPolarHBondContact CA-O 3.34Å; D76-M80 PolarHBondContact N-O 2.89Å; D76-M80 PolarHBondContact OD1-N 3.19Å; D76-M80 WeakPolarHBondContact OD2-CB 3.37Å
81Q96.7Very high94.7Very high127 Ų12745.6 Ų45.659%0.59326%0.261SS*.EExtended strand (participates in β ladder)trans-74.5128.1177.7-58.1-50.6-51.800111S75 G79S75-Q81 PolarHBondContact OG-NE2 3.2Å; S75-Q81 PolarHBondContact OG-OE1 2.98Å; G79-Q81 PolarHBondContact O-N 2.92Å; G79-Q81 PolarHBondContact O-NE2 2.62Å
82I97.1Very high94.9Very high5 Ų544.1 Ų44.13%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-145.2167.8-171.952.3164.9000110.2A74 D76 L84 V93 L94 I100 F136A74-I82 HydrophobicContact CB-CG1 4.25Å; A74-I82 PolarHBondContact N-O 3.17Å; A74-I82 WeakPolarHBondContact O-CG1 3.46Å; A74-I82 PolarHBondContact O-N 2.84Å; D76-I82 HydrophobicContact CB-CD1 4.12Å; I82-L84 HydrophobicContact CD1-CD2 4.37Å; I82-V93 HydrophobicContact CB-CG1 4.24Å; I82-V93 HydrophobicContact CD1-CG1 3.81Å; I82-V93 HydrophobicContact CG2-CG1 4.39Å; I82-L94 CarbonylContact C-O 3.42Å; I82-L94 WeakPolarHBondContact CA-O 3.28Å; I82-L94 WeakPolarHBondContact CB-O 3.16Å; I82-I100 HydrophobicContact CG2-CD1 4.38Å; I82-F136 HydrophobicContact CD1-CD1 3.67Å; I82-F136 HydrophobicContact CD1-CE1 3.97Å
83H97.3Very high94.9Very high29 Ų2941.9 Ų41.913%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-114134167.2-57.6124.7000110.1P71 H72 L94 G96P71-H83 HydrophobicContact CB-CB 3.63Å; H72-H83 WeakPolarHBondContact O-CA 3.38Å; H83-L94 HydrophobicContact CB-CB 4.29Å; H83-L94 HydrophobicContact CB-CD1 4.29Å; H83-L94 PolarHBondContact N-O 2.95Å; H83-L94 PolarHBondContact O-N 3.02Å; H83-G96 PolarHBondContact ND1-O 2.94Å
84L97.6Very high94.9Very high0 Ų038.3 Ų38.30%022%0.218CC..EExtended strand (participates in β ladder)trans-94.8142.1165.4-61.1179.4000109.5H72 A74 I82 L92 V93 F118 F136 M138 F147H72-L84 WeakPolarHBondContact CB-O 3.46Å; H72-L84 PolarHBondContact N-O 2.86Å; H72-L84 PolarHBondContact O-N 3.29Å; A74-L84 HydrophobicContact CB-CD1 4.09Å; A74-L84 HydrophobicContact CB-CG 3.95Å; I82-L84 HydrophobicContact CD1-CD2 4.37Å; L84-L92 WeakPolarHBondContact CA-O 3.43Å; L84-V93 HydrophobicContact CD2-CB 4.49Å; L84-V93 HydrophobicContact CD2-CG1 4.29Å; L84-V93 HydrophobicContact CD2-CG2 3.94Å; L84-F118 HydrophobicContact CD1-CD1 4.21Å; L84-F136 HydrophobicContact CD1-CB 3.82Å; L84-F136 HydrophobicContact CD1-CD2 4.29Å; L84-F136 HydrophobicContact CD1-CG 4.03Å; L84-F136 HydrophobicContact CD2-CD1 4.14Å; L84-F136 HydrophobicContact CD2-CD2 4.37Å; L84-F136 HydrophobicContact CD2-CE1 4.35Å; L84-F136 HydrophobicContact CD2-CG 4.14Å; L84-M138 HydrophobicContact CD1-SD 4.46Å; L84-F147 HydrophobicContact CB-CE1 3.95Å; L84-F147 HydrophobicContact CB-CE2 3.9Å; L84-F147 HydrophobicContact CB-CZ 3.48Å; L84-F147 VanDerWaalsContact CB-CZ 3.48Å; L84-F147 HydrophobicContact CD1-CD1 4.39Å; L84-F147 HydrophobicContact CD1-CE1 3.92Å; L84-F147 HydrophobicContact CD1-CZ 4.33Å
85A97.3Very high94.8Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-138.7164.7172.100000111.3I69 R70 L92 L94I69-A85 HydrophobicContact CG2-CB 3.59Å; R70-A85 WeakPolarHBondContact O-CB 3.45Å; A85-L92 HydrophobicContact CB-CB 4.26Å; A85-L92 PolarHBondContact N-O 2.69Å; A85-L92 PolarHBondContact O-N 2.74Å; A85-L94 HydrophobicContact CB-CD1 3.85Å
86V96.3Very high94.4Very high3 Ų346.5 Ų46.52%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-117.6132.8178-162.90000109.3W105 F147 T150 C151 Y154V86-W105 HydrophobicContact CG1-CH2 3.76Å; V86-W105 HydrophobicContact CG1-CZ2 3.78Å; V86-F147 HydrophobicContact CG2-CD2 4.12Å; V86-F147 HydrophobicContact CG2-CE2 3.46Å; V86-F147 VanDerWaalsContact CG2-CE2 3.46Å; V86-F147 HydrophobicContact CG2-CZ 3.7Å; V86-T150 HydrophobicContact CB-CG2 4.14Å; V86-T150 HydrophobicContact CG2-CG2 3.88Å; V86-C151 VanDerWaalsContact CG2-SG 3.55Å; V86-Y154 HydrophobicContact CB-CD1 4.16Å; V86-Y154 HydrophobicContact CB-CD2 4.33Å; V86-Y154 HydrophobicContact CB-CE1 4.3Å; V86-Y154 HydrophobicContact CB-CE2 4.45Å; V86-Y154 HydrophobicContact CB-CG 4.17Å; V86-Y154 HydrophobicContact CG1-CD1 3.71Å; V86-Y154 HydrophobicContact CG1-CD2 3.99Å; V86-Y154 HydrophobicContact CG1-CE1 4.34Å; V86-Y154 HydrophobicContact CG1-CG 3.49Å; V86-Y154 VanDerWaalsContact CG1-CG 3.49Å; V86-Y154 WeakPolarHBondContact O-CE1 3.21Å
87A94.3Very high94Very high7 Ų749.6 Ų49.66%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-137.3167.4-178.600000111.3I69 M89 G90 L92 W105I69-A87 HydrophobicContact CD1-CB 4.27Å; A87-M89 HydrophobicContact CB-CG 4.06Å; A87-M89 PolarHBondContact O-N 3.28Å; A87-M89 VanDerWaalsContact O-N 3.11Å; A87-G90 PolarHBondContact N-O 3.5Å; A87-G90 PolarHBondContact O-N 2.67Å; A87-G90 VanDerWaalsContact O-N 3.14Å; A87-L92 HydrophobicContact CB-CD1 3.98Å; A87-L92 HydrophobicContact CB-CD2 4.32Å; A87-L92 HydrophobicContact CB-CG 4.05Å; A87-W105 WeakPolarHBondContact O-CZ2 3.16Å; A87-W105 PolarHBondContact O-NE1 3.5Å
88H91.6Very high94.2Very high115 Ų11550.8 Ų50.853%0.53227%0.267SS..THydrogen-bonded Turntrans-55.4-30.1177.168.3-94000112.8W105 F158H88-W105 PolarHBondContact O-NE1 2.91Å; H88-F158 HydrophobicContact CB-CD1 3.61Å; H88-F158 HydrophobicContact CB-CD2 3.97Å; H88-F158 HydrophobicContact CB-CE1 3.6Å; H88-F158 HydrophobicContact CB-CE2 3.97Å; H88-F158 HydrophobicContact CB-CG 3.82Å; H88-F158 HydrophobicContact CB-CZ 3.79Å
89M92.3Very high94.5Very high70 Ų7046.3 Ų46.335%0.34525%0.245SC..THydrogen-bonded Turntrans-83.3-24.3-179.462.1-179.269.500114.7A87 L92 T102 N104 W105A87-M89 HydrophobicContact CB-CG 4.06Å; A87-M89 PolarHBondContact O-N 3.28Å; A87-M89 VanDerWaalsContact O-N 3.11Å; M89-L92 HydrophobicContact CG-CD2 4.16Å; M89-L92 HydrophobicContact SD-CD2 4.01Å; M89-T102 HydrophobicContact CG-CG2 3.97Å; M89-T102 HydrophobicContact SD-CG2 3.84Å; M89-N104 VanDerWaalsContact O-CA 3.28Å; M89-N104 WeakPolarHBondContact O-CA 3.49Å; M89-W105 VanDerWaalsContact C-CD1 3.49Å; M89-W105 PolarHBondContact O-N 3.07Å
90G95.3Very high94.6Very high0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans159.6-167-170.100000114.9A87 F103 W105A87-G90 PolarHBondContact N-O 3.5Å; A87-G90 PolarHBondContact O-N 2.67Å; A87-G90 VanDerWaalsContact O-N 3.14Å; G90-F103 CarbonylContact C-O 3.59Å; G90-F103 WeakPolarHBondContact CA-O 3.42Å; G90-W105 VanDerWaalsContact CA-CE2 3.47Å
91V97.4Very high94.5Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-87.9125166.8178.20000108.8F103 W105 I108 L111 I120 F147V91-F103 HydrophobicContact CB-CB 4.38Å; V91-F103 HydrophobicContact CB-CD2 4.41Å; V91-F103 HydrophobicContact CG1-CD2 4.42Å; V91-F103 PolarHBondContact N-O 3.05Å; V91-F103 PolarHBondContact O-N 3.09Å; V91-W105 HydrophobicContact CG2-CH2 3.98Å; V91-W105 HydrophobicContact CG2-CZ3 3.96Å; V91-I108 HydrophobicContact CB-CD1 4.48Å; V91-I108 HydrophobicContact CG2-CD1 4.15Å; V91-L111 HydrophobicContact CG2-CD1 4.43Å; V91-I120 HydrophobicContact CB-CD1 4.29Å; V91-I120 HydrophobicContact CG1-CD1 4.05Å; V91-F147 HydrophobicContact CG1-CE1 4.21Å; V91-F147 HydrophobicContact CG1-CZ 4.04Å
92L96.8Very high94.5Very high6 Ų644.5 Ų44.53%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-94.5148.8177.6-50.5-175.9000110.7I69 L84 A85 A87 M89 L94 T102I69-L92 HydrophobicContact CD1-CD1 3.66Å; I69-L92 HydrophobicContact CG1-CD1 4.37Å; L84-L92 WeakPolarHBondContact CA-O 3.43Å; A85-L92 HydrophobicContact CB-CB 4.26Å; A85-L92 PolarHBondContact N-O 2.69Å; A85-L92 PolarHBondContact O-N 2.74Å; A87-L92 HydrophobicContact CB-CD1 3.98Å; A87-L92 HydrophobicContact CB-CD2 4.32Å; A87-L92 HydrophobicContact CB-CG 4.05Å; M89-L92 HydrophobicContact CG-CD2 4.16Å; M89-L92 HydrophobicContact SD-CD2 4.01Å; L92-L94 HydrophobicContact CB-CD1 4.44Å; L92-T102 HydrophobicContact CD2-CG2 3.83Å; L92-T102 WeakPolarHBondContact CD2-OG1 3.44Å
93V96.6Very high94.4Very high6 Ų645.1 Ų45.14%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-117.7131.9164.1-166.50000108.4I82 L84 I100 N101 F103 F136I82-V93 HydrophobicContact CB-CG1 4.24Å; I82-V93 HydrophobicContact CD1-CG1 3.81Å; I82-V93 HydrophobicContact CG2-CG1 4.39Å; L84-V93 HydrophobicContact CD2-CB 4.49Å; L84-V93 HydrophobicContact CD2-CG1 4.29Å; L84-V93 HydrophobicContact CD2-CG2 3.94Å; V93-I100 HydrophobicContact CB-CD1 4.43Å; V93-I100 HydrophobicContact CB-CG1 3.92Å; V93-I100 HydrophobicContact CG1-CD1 3.8Å; V93-I100 HydrophobicContact CG1-CG1 3.8Å; V93-I100 WeakPolarHBondContact O-CG1 3.43Å; V93-I100 PolarHBondContact O-N 3.33Å; V93-N101 HydrophobicContact CB-CB 4.16Å; V93-N101 HydrophobicContact CG2-CB 4.22Å; V93-N101 PolarHBondContact N-O 3.23Å; V93-N101 PolarHBondContact O-N 2.91Å; V93-F103 HydrophobicContact CG2-CD2 4.13Å; V93-F103 HydrophobicContact CG2-CE2 3.39Å; V93-F103 HydrophobicContact CG2-CZ 4.11Å; V93-F136 HydrophobicContact CG2-CZ 4.32Å
94L96.3Very high94.2Very high3 Ų347 Ų472%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-125.5151.1178-51111.6000110.7M66 I69 I82 H83 A85 L92 T98 K99M66-L94 HydrophobicContact CE-CD2 4.09Å; M66-L94 HydrophobicContact SD-CD2 3.56Å; M66-L94 VanDerWaalsContact SD-CD2 3.56Å; I69-L94 HydrophobicContact CG2-CD1 4.18Å; I82-L94 CarbonylContact C-O 3.42Å; I82-L94 WeakPolarHBondContact CA-O 3.28Å; I82-L94 WeakPolarHBondContact CB-O 3.16Å; H83-L94 HydrophobicContact CB-CB 4.29Å; H83-L94 HydrophobicContact CB-CD1 4.29Å; H83-L94 PolarHBondContact N-O 2.95Å; H83-L94 PolarHBondContact O-N 3.02Å; A85-L94 HydrophobicContact CB-CD1 3.85Å; L92-L94 HydrophobicContact CB-CD1 4.44Å; L94-T98 CarbonylContact C-O 3.55Å; L94-T98 WeakPolarHBondContact CA-O 3.44Å; L94-K99 HydrophobicContact CD2-CB 4.09Å
95R94.5Very high94.1Very high152 Ų15247.1 Ų47.157%0.57425%0.246SC*.EExtended strand (participates in β ladder)trans-119.4113.8168.4-174.3177176.4-169.7-2107.5N97 T98 I100R95-N97 PolarHBondContact O-N 2.84Å; R95-T98 PolarHBondContact N-O 3.01Å; R95-T98 PolarHBondContact O-N 3.31Å; R95-I100 HydrophobicContact CB-CD1 4.48Å; R95-I100 HydrophobicContact CB-CG2 3.83Å
96G88.6Confident93.8Very high42 Ų4249.4 Ų49.443%0.43326%0.264SS..THydrogen-bonded Turntrans56.2-124.8-160.800000110.2H83H83-G96 PolarHBondContact ND1-O 2.94Å
97N86.4Confident93.5Very high100 Ų10054.5 Ų54.554%0.53529%0.286SS..THydrogen-bonded Turntrans-94.51.4176.4-65.1-14.2000113.7R95R95-N97 PolarHBondContact O-N 2.84Å
98T91.5Very high93.4Very high98 Ų9854.2 Ų54.260%0.60128%0.284SS*.EExtended strand (participates in β ladder)trans-96121.7-177.9-54.90000110.8L94 R95 I100L94-T98 CarbonylContact C-O 3.55Å; L94-T98 WeakPolarHBondContact CA-O 3.44Å; R95-T98 PolarHBondContact N-O 3.01Å; R95-T98 PolarHBondContact O-N 3.31Å; T98-I100 PolarHBondContact O-N 2.79Å
99K94.2Very high93.4Very high87 Ų8754.4 Ų54.438%0.37828%0.28SS..EExtended strand (participates in β ladder)trans-69.5113174.8178.8-178.369.8-146.90110.1D65 L94D65-K99 IonicContact OD1-NZ 2.67Å; D65-K99 PolarHBondContact OD1-NZ 3.16Å; L94-K99 HydrophobicContact CD2-CB 4.09Å
100I93.7Very high93.4Very high93 Ų9354 Ų5448%0.47728%0.276SS..EExtended strand (participates in β ladder)trans-96.9-25.7-178.465.7169.9000113.4I82 V93 R95 T98I82-I100 HydrophobicContact CG2-CD1 4.38Å; V93-I100 HydrophobicContact CB-CD1 4.43Å; V93-I100 HydrophobicContact CB-CG1 3.92Å; V93-I100 HydrophobicContact CG1-CD1 3.8Å; V93-I100 HydrophobicContact CG1-CG1 3.8Å; V93-I100 WeakPolarHBondContact O-CG1 3.43Å; V93-I100 PolarHBondContact O-N 3.33Å; R95-I100 HydrophobicContact CB-CD1 4.48Å; R95-I100 HydrophobicContact CB-CG2 3.83Å; T98-I100 PolarHBondContact O-N 2.79Å
101N94Very high93.4Very high75 Ų7554 Ų5440%0.40128%0.276SS..EExtended strand (participates in β ladder)trans-155.9157.8179-158.9-6.9000112.5V93 F103V93-N101 HydrophobicContact CB-CB 4.16Å; V93-N101 HydrophobicContact CG2-CB 4.22Å; V93-N101 PolarHBondContact N-O 3.23Å; V93-N101 PolarHBondContact O-N 2.91Å; N101-F103 WeakPolarHBondContact ND2-CE1 3.37Å; N101-F103 WeakPolarHBondContact ND2-CZ 3.38Å
102T95.3Very high93.2Very high43 Ų4354.8 Ų54.826%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-135.2107.7174.4-63.20000110M89 L92 N104M89-T102 HydrophobicContact CG-CG2 3.97Å; M89-T102 HydrophobicContact SD-CG2 3.84Å; L92-T102 HydrophobicContact CD2-CG2 3.83Å; L92-T102 WeakPolarHBondContact CD2-OG1 3.44Å; T102-N104 PolarHBondContact O-N 2.97Å; T102-N104 VanDerWaalsContact O-N 3.1Å
103F95Very high93.1Very high18 Ų1856.3 Ų56.38%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-79.690.6167.3-54-61.9000108.9G90 V91 V93 N101 I108 I120 L122 L134 F136G90-F103 CarbonylContact C-O 3.59Å; G90-F103 WeakPolarHBondContact CA-O 3.42Å; V91-F103 HydrophobicContact CB-CB 4.38Å; V91-F103 HydrophobicContact CB-CD2 4.41Å; V91-F103 HydrophobicContact CG1-CD2 4.42Å; V91-F103 PolarHBondContact N-O 3.05Å; V91-F103 PolarHBondContact O-N 3.09Å; V93-F103 HydrophobicContact CG2-CD2 4.13Å; V93-F103 HydrophobicContact CG2-CE2 3.39Å; V93-F103 HydrophobicContact CG2-CZ 4.11Å; N101-F103 WeakPolarHBondContact ND2-CE1 3.37Å; N101-F103 WeakPolarHBondContact ND2-CZ 3.38Å; F103-I108 HydrophobicContact CB-CD1 3.84Å; F103-I108 HydrophobicContact CB-CG1 4.04Å; F103-I108 VanDerWaalsContact O-CD1 3.27Å; F103-I108 WeakPolarHBondContact O-CD1 3.45Å; F103-I120 HydrophobicContact CD2-CD1 3.51Å; F103-I120 HydrophobicContact CE2-CD1 3.94Å; F103-I120 HydrophobicContact CG-CD1 4.15Å; F103-L122 HydrophobicContact CD1-CD2 4.47Å; F103-L134 HydrophobicContact CD1-CD1 4.05Å; F103-L134 HydrophobicContact CE1-CD1 3.22Å; F103-L134 HydrophobicContact CE2-CD1 4.26Å; F103-L134 HydrophobicContact CZ-CD1 3.36Å; F103-F136 AromaticContact CE2-CE2 3.98Å; F103-F136 HydrophobicContact CE2-CE2 3.98Å; F103-F136 AromaticContact CE2-CZ 3.69Å; F103-F136 HydrophobicContact CE2-CZ 3.69Å; F103-F136 AromaticContact CZ-CZ 3.98Å; F103-F136 HydrophobicContact CZ-CZ 3.98Å
104N94.2Very high92.8Very high69 Ų6963.2 Ų63.237%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-56.9140.7177.2-176.3-56000110.8M89 T102 A106 K107 I108M89-N104 VanDerWaalsContact O-CA 3.28Å; M89-N104 WeakPolarHBondContact O-CA 3.49Å; T102-N104 PolarHBondContact O-N 2.97Å; T102-N104 VanDerWaalsContact O-N 3.1Å; N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.09Å; N104-A106 PolarHBondContact OD1-N 3.27Å; N104-K107 HydrophobicContact CB-CG 4.41Å; N104-K107 WeakPolarHBondContact O-CB 3.32Å; N104-K107 PolarHBondContact O-N 2.71Å; N104-I108 PolarHBondContact O-N 3.49Å
105W94.7Very high92.7Very high3 Ų372.7 Ų72.71%0.01135%0.353CS..G310 helixtrans-49-44.1179.7-64124.8000113.7V86 A87 H88 M89 G90 V91 K107 I108 L111 C151 H155 R159 L566V86-W105 HydrophobicContact CG1-CH2 3.76Å; V86-W105 HydrophobicContact CG1-CZ2 3.78Å; A87-W105 WeakPolarHBondContact O-CZ2 3.16Å; A87-W105 PolarHBondContact O-NE1 3.5Å; H88-W105 PolarHBondContact O-NE1 2.91Å; M89-W105 VanDerWaalsContact C-CD1 3.49Å; M89-W105 PolarHBondContact O-N 3.07Å; G90-W105 VanDerWaalsContact CA-CE2 3.47Å; V91-W105 HydrophobicContact CG2-CH2 3.98Å; V91-W105 HydrophobicContact CG2-CZ3 3.96Å; W105-K107 PolarHBondContact O-N 2.86Å; W105-I108 HydrophobicContact CE3-CD1 3.89Å; W105-I108 HydrophobicContact CZ3-CD1 4.1Å; W105-I108 PolarHBondContact O-N 3.14Å; W105-L111 HydrophobicContact CZ3-CD1 3.92Å; W105-C151 HydrophobicContact CH2-CB 4.29Å; W105-H155 HydrophobicContact CD2-CB 4.46Å; W105-H155 AromaticContact CD2-CD2 3.79Å; W105-H155 HydrophobicContact CE3-CB 4.35Å; W105-H155 AromaticContact CE3-CD2 3.78Å; W105-H155 AromaticContact CG-CD2 3.92Å; W105-H155 HydrophobicContact CZ3-CB 4.38Å; W105-R159 HydrophobicContact CB-CG 4.31Å; W105-R159 HydrophobicContact CG-CG 4.23Å; W105-L566 HydrophobicContact CE3-CD1 4.24Å
106A90.3Very high92.8Very high47 Ų4769.9 Ų69.939%0.38835%0.345SS..G310 helixtrans-68.1-13.7179.900000114N104N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.09Å; N104-A106 PolarHBondContact OD1-N 3.27Å
107K90.2Very high93.2Very high111 Ų11170.1 Ų70.148%0.48334%0.335SS..G310 helixtrans-90.5-17.6172.5-65.4-172.3175.8-1760112.7N104 W105 L122 H123 I126N104-K107 HydrophobicContact CB-CG 4.41Å; N104-K107 WeakPolarHBondContact O-CB 3.32Å; N104-K107 PolarHBondContact O-N 2.71Å; W105-K107 PolarHBondContact O-N 2.86Å; K107-L122 VanDerWaalsContact O-CA 3.26Å; K107-L122 WeakPolarHBondContact O-CA 3.23Å; K107-L122 WeakPolarHBondContact O-CD2 3.49Å; K107-H123 PolarHBondContact O-N 2.77Å; K107-H123 VanDerWaalsContact O-N 3.11Å; K107-I126 HydrophobicContact CB-CD1 3.7Å; K107-I126 HydrophobicContact CD-CD1 4.27Å; K107-I126 HydrophobicContact CG-CD1 3.82Å
108I92.8Very high93.7Very high0 Ų065.4 Ų65.40%031%0.309CS..EExtended strand (participates in β ladder)trans-91.6112.5-174.9-63.8168.7000109.5V91 F103 N104 W105 L111 I120 L566V91-I108 HydrophobicContact CB-CD1 4.48Å; V91-I108 HydrophobicContact CG2-CD1 4.15Å; F103-I108 HydrophobicContact CB-CD1 3.84Å; F103-I108 HydrophobicContact CB-CG1 4.04Å; F103-I108 VanDerWaalsContact O-CD1 3.27Å; F103-I108 WeakPolarHBondContact O-CD1 3.45Å; N104-I108 PolarHBondContact O-N 3.49Å; W105-I108 HydrophobicContact CE3-CD1 3.89Å; W105-I108 HydrophobicContact CZ3-CD1 4.1Å; W105-I108 PolarHBondContact O-N 3.14Å; I108-L111 HydrophobicContact CD1-CD2 4.37Å; I108-L111 HydrophobicContact CG2-CD2 3.6Å; I108-L111 HydrophobicContact CG2-CG 3.73Å; I108-I120 HydrophobicContact CD1-CG2 4.43Å; I108-I120 HydrophobicContact CG1-CG2 3.94Å; I108-I120 HydrophobicContact CG2-CG2 4.16Å; I108-L566 HydrophobicContact CB-CD1 4.17Å; I108-L566 HydrophobicContact CG2-CD1 4Å; I108-L566 WeakPolarHBondContact O-CB 3.38Å; I108-L566 WeakPolarHBondContact O-CD1 3.37Å
109R90.8Very high93.9Very high119 Ų11962 Ų6245%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-79.1-35173.1-170.8178.7179.7-173.24.4112.3K121 L122 H123 L566R109-K121 PolarHBondContact N-O 3.42Å; R109-L122 VanDerWaalsContact CB-O 3.22Å; R109-L122 WeakPolarHBondContact CB-O 3.47Å; R109-H123 WeakPolarHBondContact CA-NE2 3.47Å; R109-H123 VanDerWaalsContact CB-CD2 3.49Å; R109-H123 WeakPolarHBondContact CB-CD2 3.5Å; R109-H123 PolarHBondContact N-CD2 2.9Å; R109-L566 PolarHBondContact O-N 3.33Å
110K92.7Very high94Very high62 Ų6257.9 Ų57.927%0.2727%0.27SS..EExtended strand (participates in β ladder)trans-155.7136-173.3-157.7179.3-176.5168.30112.9K121 S563 L564 Q565K110-K121 HydrophobicContact CB-CB 3.91Å; K110-K121 HydrophobicContact CB-CD 4.37Å; K110-K121 HydrophobicContact CB-CG 4.23Å; K110-K121 HydrophobicContact CD-CD 4.26Å; K110-K121 PolarHBondContact N-O 2.9Å; K110-K121 VanDerWaalsContact N-O 3.11Å; K110-K121 PolarHBondContact O-N 3.01Å; K110-S563 WeakPolarHBondContact CE-OG 3.13Å; K110-S563 PolarHBondContact NZ-OG 3.03Å; K110-L564 CarbonylContact C-O 3.58Å; K110-L564 VanDerWaalsContact CA-O 3.27Å; K110-L564 WeakPolarHBondContact CA-O 3.39Å; K110-L564 WeakPolarHBondContact CG-O 3.35Å; K110-Q565 HydrophobicContact CG-CB 4.46Å
111L95.1Very high93.9Very high0 Ų057.3 Ų57.30%026%0.264CS..EExtended strand (participates in β ladder)trans-113.9129.1165.3-59.6177.1000110V91 W105 I108 F118 I120 W148 C151 L564V91-L111 HydrophobicContact CG2-CD1 4.43Å; W105-L111 HydrophobicContact CZ3-CD1 3.92Å; I108-L111 HydrophobicContact CD1-CD2 4.37Å; I108-L111 HydrophobicContact CG2-CD2 3.6Å; I108-L111 HydrophobicContact CG2-CG 3.73Å; L111-F118 HydrophobicContact CB-CZ 4.23Å; L111-F118 HydrophobicContact CD1-CZ 4.3Å; L111-F118 HydrophobicContact CD2-CE1 4.12Å; L111-F118 HydrophobicContact CD2-CZ 3.87Å; L111-F118 HydrophobicContact CG-CZ 4.36Å; L111-I120 HydrophobicContact CD2-CB 4.09Å; L111-I120 HydrophobicContact CD2-CD1 4.34Å; L111-I120 HydrophobicContact CD2-CG1 3.74Å; L111-I120 HydrophobicContact CD2-CG2 3.88Å; L111-W148 PolarHBondContact O-NE1 3.12Å; L111-C151 HydrophobicContact CD1-CB 3.47Å; L111-C151 VanDerWaalsContact CD1-CB 3.47Å; L111-L564 HydrophobicContact CB-CB 4.28Å; L111-L564 HydrophobicContact CB-CD2 4.29Å; L111-L564 HydrophobicContact CD1-CD2 3.96Å; L111-L564 HydrophobicContact CG-CD2 4.43Å; L111-L564 PolarHBondContact N-O 3.27Å; L111-L564 PolarHBondContact O-N 3.26Å
112S93.8Very high93.8Very high17 Ų1754.8 Ų54.812%0.11925%0.25CC..EExtended strand (participates in β ladder)trans-147.5169.817950.10000111.1L119 G562S112-L119 PolarHBondContact N-O 3.33Å; S112-L119 WeakPolarHBondContact O-CB 3.42Å; S112-L119 PolarHBondContact O-N 3.14Å; S112-G562 VanDerWaalsContact CA-O 3.28Å; S112-G562 WeakPolarHBondContact CA-O 3.37Å; S112-G562 WeakPolarHBondContact CB-O 3.19Å
113F93.8Very high93.4Very high37 Ų3755.7 Ų55.716%0.16225%0.251CS..EExtended strand (participates in β ladder)trans-141.9149.3173.568.3-82.5000112.5H117 C144 K145 W148 G562F113-H117 CarbonylContact C-O 3.58Å; F113-H117 VanDerWaalsContact CA-O 3.23Å; F113-H117 WeakPolarHBondContact CA-O 3.28Å; F113-C144 VanDerWaalsContact CB-SG 3.5Å; F113-K145 HydrophobicContact CD2-CB 4.34Å; F113-K145 HydrophobicContact CE1-CB 4.26Å; F113-K145 HydrophobicContact CE1-CG 4.28Å; F113-K145 HydrophobicContact CE2-CB 3.69Å; F113-K145 HydrophobicContact CE2-CD 4.44Å; F113-K145 HydrophobicContact CE2-CG 4.12Å; F113-K145 HydrophobicContact CZ-CB 3.65Å; F113-K145 HydrophobicContact CZ-CD 4.17Å; F113-K145 HydrophobicContact CZ-CG 3.63Å; F113-W148 HydrophobicContact CD1-CB 3.75Å; F113-W148 AromaticContact CD1-CD1 3.98Å; F113-W148 AromaticContact CD1-CD2 3.97Å; F113-W148 HydrophobicContact CD1-CD2 3.97Å; F113-W148 HydrophobicContact CD1-CE3 4.5Å; F113-W148 AromaticContact CD1-CG 3.6Å; F113-W148 HydrophobicContact CD1-CG 3.6Å; F113-W148 HydrophobicContact CE1-CB 4.18Å; F113-W148 AromaticContact CE1-CD2 3.83Å; F113-W148 HydrophobicContact CE1-CD2 3.83Å; F113-W148 AromaticContact CE1-CE3 3.93Å; F113-W148 HydrophobicContact CE1-CE3 3.93Å; F113-W148 AromaticContact CE1-CG 3.94Å; F113-W148 HydrophobicContact CE1-CG 3.94Å; F113-G562 PolarHBondContact N-O 2.9Å
114K91.8Very high92.3Very high151 Ų15157.4 Ų57.466%0.65727%0.268SS*.EExtended strand (participates in β ladder)trans-138.3116.9179.6-176.1-175.4178.4-1720109.2K116 H117 L119K114-K116 PolarHBondContact O-N 3.26Å; K114-H117 PolarHBondContact N-O 3.05Å; K114-H117 WeakPolarHBondContact O-CB 3.16Å; K114-H117 PolarHBondContact O-CD2 2.97Å; K114-H117 PolarHBondContact O-N 3.01Å; K114-L119 HydrophobicContact CB-CD1 4.12Å
115R93.5Very high90.9Very high202 Ų20261.7 Ų61.776%0.76229%0.291SS*.THydrogen-bonded Turntrans51.1-120.1-169-60.8176.7175.3167.4-4.2109.4R141R115-R141 VanDerWaalsContact O-CA 3.3Å; R115-R141 WeakPolarHBondContact O-CA 3.26Å
116K96.3Very high89.2Confident94 Ų9464.3 Ų64.341%0.40931%0.305SS..THydrogen-bonded Turntrans-89.72177.267.5171-178.21640115K114 T137 M138K114-K116 PolarHBondContact O-N 3.26Å; K116-T137 HydrophobicContact CD-CG2 3.7Å; K116-T137 VanDerWaalsContact CE-CG2 3.42Å; K116-T137 HydrophobicContact CG-CG2 4.16Å; K116-M138 WeakPolarHBondContact CB-O 3.39Å; K116-M138 PolarHBondContact O-N 2.79Å
117H96.8Very high87.3Confident47 Ų4768.6 Ų68.622%0.21832%0.321CS..EExtended strand (participates in β ladder)trans-100.6119.4-169.9-55.5-110000110.2F113 K114 E135 F136 T137 C144F113-H117 CarbonylContact C-O 3.58Å; F113-H117 VanDerWaalsContact CA-O 3.23Å; F113-H117 WeakPolarHBondContact CA-O 3.28Å; K114-H117 PolarHBondContact N-O 3.05Å; K114-H117 WeakPolarHBondContact O-CB 3.16Å; K114-H117 PolarHBondContact O-CD2 2.97Å; K114-H117 PolarHBondContact O-N 3.01Å; H117-E135 HydrophobicContact CB-CG 4.09Å; H117-E135 IonicContact CE1-OE1 3.42Å; H117-E135 IonicContact CG-OE1 3.69Å; H117-E135 IonicContact ND1-OE1 3.58Å; H117-E135 PolarHBondContact ND1-OE1 2.87Å; H117-F136 CarbonylContact C-O 3.57Å; H117-F136 WeakPolarHBondContact CA-O 3.35Å; H117-T137 PolarHBondContact ND1-OG1 2.81Å; H117-C144 VanDerWaalsContact C-SG 3.52Å
118F97.6Very high85.6Confident0 Ų070.6 Ų70.60%034%0.342CS..EExtended strand (participates in β ladder)trans-87.2136.7172.7-170.7-110.5000109.4L84 L111 I120 E135 F136 M138 C144 F147 W148L84-F118 HydrophobicContact CD1-CD1 4.21Å; L111-F118 HydrophobicContact CB-CZ 4.23Å; L111-F118 HydrophobicContact CD1-CZ 4.3Å; L111-F118 HydrophobicContact CD2-CE1 4.12Å; L111-F118 HydrophobicContact CD2-CZ 3.87Å; L111-F118 HydrophobicContact CG-CZ 4.36Å; F118-I120 HydrophobicContact CD1-CD1 4.41Å; F118-I120 HydrophobicContact CD1-CG1 3.97Å; F118-I120 HydrophobicContact CE1-CD1 3.92Å; F118-I120 HydrophobicContact CE1-CG1 3.6Å; F118-E135 WeakPolarHBondContact O-CA 3.49Å; F118-F136 HydrophobicContact CB-CB 4.43Å; F118-F136 HydrophobicContact CD1-CD2 4.37Å; F118-F136 PolarHBondContact N-O 3.18Å; F118-F136 PolarHBondContact O-N 3.08Å; F118-M138 HydrophobicContact CB-SD 4.29Å; F118-C144 PolarHBondContact N-SG 3.11Å; F118-C144 VanDerWaalsContact N-SG 3.39Å; F118-F147 HydrophobicContact CD1-CD1 4.14Å; F118-F147 HydrophobicContact CD1-CE1 4.03Å; F118-F147 HydrophobicContact CD2-CD1 4.01Å; F118-F147 AromaticContact CE1-CD1 3.98Å; F118-F147 HydrophobicContact CE1-CD1 3.98Å; F118-F147 AromaticContact CE1-CE1 3.65Å; F118-F147 HydrophobicContact CE1-CE1 3.65Å; F118-F147 AromaticContact CE2-CD1 3.85Å; F118-F147 HydrophobicContact CE2-CD1 3.85Å; F118-F147 HydrophobicContact CE2-CE1 4.31Å; F118-F147 HydrophobicContact CG-CD1 4.16Å; F118-F147 AromaticContact CZ-CD1 3.83Å; F118-F147 HydrophobicContact CZ-CD1 3.83Å; F118-F147 AromaticContact CZ-CE1 3.81Å; F118-F147 HydrophobicContact CZ-CE1 3.81Å; F118-W148 HydrophobicContact CD2-CB 4.43Å; F118-W148 HydrophobicContact CE2-CB 3.96Å; F118-W148 HydrophobicContact CE2-CG 4.49Å
119L95.7Very high83.8Confident28 Ų2879 Ų7915%0.14739%0.386CS..EExtended strand (participates in β ladder)trans-130.1112.2-168.4-68.2165000110.3S112 K114 T133 L134 E135S112-L119 PolarHBondContact N-O 3.33Å; S112-L119 WeakPolarHBondContact O-CB 3.42Å; S112-L119 PolarHBondContact O-N 3.14Å; K114-L119 HydrophobicContact CB-CD1 4.12Å; L119-T133 HydrophobicContact CD2-CG2 4.05Å; L119-L134 WeakPolarHBondContact CA-O 3.49Å; L119-E135 HydrophobicContact CD2-CB 3.84Å; L119-E135 HydrophobicContact CD2-CG 3.69Å; L119-E135 WeakPolarHBondContact CD2-OE2 3.42Å
120I95.1Very high82.1Confident0 Ų077 Ų770%039%0.389CS..EExtended strand (participates in β ladder)trans-101.6115.9174.5-50.1-172000108.1V91 F103 I108 L111 F118 L122 T133 L134 F136V91-I120 HydrophobicContact CB-CD1 4.29Å; V91-I120 HydrophobicContact CG1-CD1 4.05Å; F103-I120 HydrophobicContact CD2-CD1 3.51Å; F103-I120 HydrophobicContact CE2-CD1 3.94Å; F103-I120 HydrophobicContact CG-CD1 4.15Å; I108-I120 HydrophobicContact CD1-CG2 4.43Å; I108-I120 HydrophobicContact CG1-CG2 3.94Å; I108-I120 HydrophobicContact CG2-CG2 4.16Å; L111-I120 HydrophobicContact CD2-CB 4.09Å; L111-I120 HydrophobicContact CD2-CD1 4.34Å; L111-I120 HydrophobicContact CD2-CG1 3.74Å; L111-I120 HydrophobicContact CD2-CG2 3.88Å; F118-I120 HydrophobicContact CD1-CD1 4.41Å; F118-I120 HydrophobicContact CD1-CG1 3.97Å; F118-I120 HydrophobicContact CE1-CD1 3.92Å; F118-I120 HydrophobicContact CE1-CG1 3.6Å; I120-L122 HydrophobicContact CG2-CD2 4.08Å; I120-T133 CarbonylContact O-C 3.5Å; I120-T133 WeakPolarHBondContact O-CA 3.32Å; I120-L134 HydrophobicContact CB-CB 4.45Å; I120-L134 PolarHBondContact N-O 3.4Å; I120-L134 PolarHBondContact O-N 3.35Å; I120-F136 HydrophobicContact CD1-CD2 4.38Å; I120-F136 HydrophobicContact CD1-CE2 3.81Å; I120-F136 HydrophobicContact CG1-CD2 4.44Å; I120-F136 HydrophobicContact CG1-CE2 4.15Å
121K92.9Very high80.9Confident81 Ų8182 Ų8235%0.35241%0.411SS..EExtended strand (participates in β ladder)trans-96.7134.6166-55.4-168.5167.7-84.20109.9R109 K110 D132 T133R109-K121 PolarHBondContact N-O 3.42Å; K110-K121 HydrophobicContact CB-CB 3.91Å; K110-K121 HydrophobicContact CB-CD 4.37Å; K110-K121 HydrophobicContact CB-CG 4.23Å; K110-K121 HydrophobicContact CD-CD 4.26Å; K110-K121 PolarHBondContact N-O 2.9Å; K110-K121 VanDerWaalsContact N-O 3.11Å; K110-K121 PolarHBondContact O-N 3.01Å; K121-D132 VanDerWaalsContact CA-O 3.31Å; K121-D132 WeakPolarHBondContact CA-O 3.28Å; K121-T133 HydrophobicContact CG-CG2 3.95Å; K121-T133 WeakPolarHBondContact CG-OG1 3.41Å; K121-T133 PolarHBondContact NZ-OG1 3.03Å
122L91.4Very high80.3Confident21 Ų2185.5 Ų85.511%0.1143%0.43CS..EExtended strand (participates in β ladder)trans-91.6173177.2-58.2-179.3000110.9F103 K107 R109 I120 I126 D132 L134F103-L122 HydrophobicContact CD1-CD2 4.47Å; K107-L122 VanDerWaalsContact O-CA 3.26Å; K107-L122 WeakPolarHBondContact O-CA 3.23Å; K107-L122 WeakPolarHBondContact O-CD2 3.49Å; R109-L122 VanDerWaalsContact CB-O 3.22Å; R109-L122 WeakPolarHBondContact CB-O 3.47Å; I120-L122 HydrophobicContact CG2-CD2 4.08Å; L122-I126 HydrophobicContact CB-CD1 4.46Å; L122-D132 PolarHBondContact N-O 3.27Å; L122-D132 VanDerWaalsContact N-O 3.09Å; L122-L134 HydrophobicContact CD1-CD1 4.39Å
123H87.2Confident80.1Confident62 Ų6286.7 Ų86.729%0.28744%0.437SS..PPolyproline II helixtrans-77.1136.2164.5-78-107.6000109.9K107 R109 N125 I126K107-H123 PolarHBondContact O-N 2.77Å; K107-H123 VanDerWaalsContact O-N 3.11Å; R109-H123 WeakPolarHBondContact CA-NE2 3.47Å; R109-H123 VanDerWaalsContact CB-CD2 3.49Å; R109-H123 WeakPolarHBondContact CB-CD2 3.5Å; R109-H123 PolarHBondContact N-CD2 2.9Å; H123-N125 PolarHBondContact O-N 3.32Å; H123-I126 HydrophobicContact CB-CD1 4.25Å; H123-I126 VanDerWaalsContact O-CG1 3.31Å; H123-I126 WeakPolarHBondContact O-CG1 3.38Å; H123-I126 PolarHBondContact O-N 2.64Å
124A72.1Confident80.1Confident54 Ų5487 Ų8745%0.44644%0.439SS..THydrogen-bonded Turntrans-66.2-8.3-17200000114.7I126A124-I126 PolarHBondContact O-N 3.14Å
125N64.1Low80.3Confident159 Ų15984.2 Ų84.285%0.8543%0.429SS*.THydrogen-bonded Turntrans-77.8-1.7177.8-57.95.7000112.3H123 L127H123-N125 PolarHBondContact O-N 3.32Å; N125-L127 PolarHBondContact O-N 2.68Å
126I58.6Low80.5Confident59 Ų5975.2 Ų75.230%0.30340%0.395SS..SBendtrans-101.559.4-171.5-48.4171.4000110.1K107 L122 H123 A124K107-I126 HydrophobicContact CB-CD1 3.7Å; K107-I126 HydrophobicContact CD-CD1 4.27Å; K107-I126 HydrophobicContact CG-CD1 3.82Å; L122-I126 HydrophobicContact CB-CD1 4.46Å; H123-I126 HydrophobicContact CB-CD1 4.25Å; H123-I126 VanDerWaalsContact O-CG1 3.31Å; H123-I126 WeakPolarHBondContact O-CG1 3.38Å; H123-I126 PolarHBondContact O-N 2.64Å; A124-I126 PolarHBondContact O-N 3.14Å
127L51.7Low80.5Confident137 Ų13772.1 Ų72.172%0.71738%0.384SS*.  trans75.9123.8179.4-52.1169.5000116.6N125 L129 C130N125-L127 PolarHBondContact O-N 2.68Å; L127-L129 PolarHBondContact O-N 3.03Å; L127-C130 PolarHBondContact O-N 3.35Å
128V54.5Low80.6Confident153 Ų15370.2 Ų70.293%0.92738%0.376SS*.THydrogen-bonded Turntrans-59.4-15.6176.8-178.80000113.8
129L53.5Low80.5Confident176 Ų17674.6 Ų74.692%0.92141%0.411SS*.THydrogen-bonded Turntrans-96.3-9-173.7-137.376.2000114.7L127L127-L129 PolarHBondContact O-N 3.03Å
130C55.2Low80.5Confident76 Ų7675.7 Ų75.751%0.51442%0.422SS..SBendtrans-99.5154.3-171.7-157.90000112.6L127 D132L127-C130 PolarHBondContact O-N 3.35Å; C130-D132 PolarHBondContact O-N 3.46Å
131K67.2Low80.6Confident167 Ų16782.6 Ų82.673%0.72645%0.448SS*.  trans-68.5106.3170.8-73.3179.3-177.31690109.3T133K131-T133 PolarHBondContact O-N 3.17Å
132D83.2Confident80.6Confident75 Ų7582.4 Ų82.440%0.40145%0.451SS..SBendtrans-49.2-15.3174.5-13434.1000114.6K121 L122 C130K121-D132 VanDerWaalsContact CA-O 3.31Å; K121-D132 WeakPolarHBondContact CA-O 3.28Å; L122-D132 PolarHBondContact N-O 3.27Å; L122-D132 VanDerWaalsContact N-O 3.09Å; C130-D132 PolarHBondContact O-N 3.46Å
133T90.8Very high80.8Confident42 Ų4283.1 Ų83.126%0.25846%0.46SS..EExtended strand (participates in β ladder)trans-133.6121.9175.7-51.20000110.5L119 I120 K121 K131L119-T133 HydrophobicContact CD2-CG2 4.05Å; I120-T133 CarbonylContact O-C 3.5Å; I120-T133 WeakPolarHBondContact O-CA 3.32Å; K121-T133 HydrophobicContact CG-CG2 3.95Å; K121-T133 WeakPolarHBondContact CG-OG1 3.41Å; K121-T133 PolarHBondContact NZ-OG1 3.03Å; K131-T133 PolarHBondContact O-N 3.17Å
134L93Very high81.2Confident43 Ų4380.2 Ų80.223%0.22545%0.446CS..EExtended strand (participates in β ladder)trans-97.3142.3172-56174.9000109.3F103 L119 I120 L122 F136F103-L134 HydrophobicContact CD1-CD1 4.05Å; F103-L134 HydrophobicContact CE1-CD1 3.22Å; F103-L134 HydrophobicContact CE2-CD1 4.26Å; F103-L134 HydrophobicContact CZ-CD1 3.36Å; L119-L134 WeakPolarHBondContact CA-O 3.49Å; I120-L134 HydrophobicContact CB-CB 4.45Å; I120-L134 PolarHBondContact N-O 3.4Å; I120-L134 PolarHBondContact O-N 3.35Å; L122-L134 HydrophobicContact CD1-CD1 4.39Å; L134-F136 HydrophobicContact CB-CE2 4.03Å; L134-F136 HydrophobicContact CB-CZ 4.31Å
135E95.5Very high82.3Confident92 Ų9280.5 Ų80.543%0.4344%0.437SS..EExtended strand (participates in β ladder)trans-126.1135.3-176.9-172.7170.7138.800110.6H117 F118 L119H117-E135 HydrophobicContact CB-CG 4.09Å; H117-E135 IonicContact CE1-OE1 3.42Å; H117-E135 IonicContact CG-OE1 3.69Å; H117-E135 IonicContact ND1-OE1 3.58Å; H117-E135 PolarHBondContact ND1-OE1 2.87Å; F118-E135 WeakPolarHBondContact O-CA 3.49Å; L119-E135 HydrophobicContact CD2-CB 3.84Å; L119-E135 HydrophobicContact CD2-CG 3.69Å; L119-E135 WeakPolarHBondContact CD2-OE2 3.42Å
136F97.2Very high83.7Confident14 Ų1475.1 Ų75.16%0.06142%0.415CS..EExtended strand (participates in β ladder)trans-131.4125.8178.5-57.6-77.5000110S75 D76 I82 L84 V93 F103 H117 F118 I120 L134S75-F136 CarbonylContact O-C 3.43Å; S75-F136 VanDerWaalsContact O-CA 3.31Å; S75-F136 WeakPolarHBondContact O-CA 3.45Å; D76-F136 HydrophobicContact CB-CD1 4.31Å; D76-F136 HydrophobicContact CB-CE1 4.38Å; I82-F136 HydrophobicContact CD1-CD1 3.67Å; I82-F136 HydrophobicContact CD1-CE1 3.97Å; L84-F136 HydrophobicContact CD1-CB 3.82Å; L84-F136 HydrophobicContact CD1-CD2 4.29Å; L84-F136 HydrophobicContact CD1-CG 4.03Å; L84-F136 HydrophobicContact CD2-CD1 4.14Å; L84-F136 HydrophobicContact CD2-CD2 4.37Å; L84-F136 HydrophobicContact CD2-CE1 4.35Å; L84-F136 HydrophobicContact CD2-CG 4.14Å; V93-F136 HydrophobicContact CG2-CZ 4.32Å; F103-F136 AromaticContact CE2-CE2 3.98Å; F103-F136 HydrophobicContact CE2-CE2 3.98Å; F103-F136 AromaticContact CE2-CZ 3.69Å; F103-F136 HydrophobicContact CE2-CZ 3.69Å; F103-F136 AromaticContact CZ-CZ 3.98Å; F103-F136 HydrophobicContact CZ-CZ 3.98Å; H117-F136 CarbonylContact C-O 3.57Å; H117-F136 WeakPolarHBondContact CA-O 3.35Å; F118-F136 HydrophobicContact CB-CB 4.43Å; F118-F136 HydrophobicContact CD1-CD2 4.37Å; F118-F136 PolarHBondContact N-O 3.18Å; F118-F136 PolarHBondContact O-N 3.08Å; I120-F136 HydrophobicContact CD1-CD2 4.38Å; I120-F136 HydrophobicContact CD1-CE2 3.81Å; I120-F136 HydrophobicContact CG1-CD2 4.44Å; I120-F136 HydrophobicContact CG1-CE2 4.15Å; L134-F136 HydrophobicContact CB-CE2 4.03Å; L134-F136 HydrophobicContact CB-CZ 4.31Å
137T97.9Very high85.5Confident29 Ų2972.3 Ų72.318%0.17840%0.401CS..EExtended strand (participates in β ladder)trans-86.2119.1178.4-65.80000109.9A74 S75 K116 H117A74-T137 CarbonylContact C-O 3.56Å; A74-T137 WeakPolarHBondContact CA-O 3.4Å; S75-T137 PolarHBondContact N-O 2.79Å; S75-T137 PolarHBondContact O-N 3.41Å; K116-T137 HydrophobicContact CD-CG2 3.7Å; K116-T137 VanDerWaalsContact CE-CG2 3.42Å; K116-T137 HydrophobicContact CG-CG2 4.16Å; H117-T137 PolarHBondContact ND1-OG1 2.81Å
138M97.6Very high87.6Confident7 Ų765.8 Ų65.83%0.03437%0.367CS..EExtended strand (participates in β ladder)trans-100.8166.4175.2-56.2-168.674.600111.3H72 A74 L84 K116 F118 S140 C144 F147H72-M138 HydrophobicContact CB-CE 3.71Å; A74-M138 HydrophobicContact CB-CG 4.15Å; L84-M138 HydrophobicContact CD1-SD 4.46Å; K116-M138 WeakPolarHBondContact CB-O 3.39Å; K116-M138 PolarHBondContact O-N 2.79Å; F118-M138 HydrophobicContact CB-SD 4.29Å; M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.24Å; M138-C144 HydrophobicContact CB-CB 4.21Å; M138-C144 HydrophobicContact CG-CB 4.4Å; M138-C144 HydrophobicContact SD-CB 4.06Å; M138-F147 HydrophobicContact CE-CB 3.92Å; M138-F147 HydrophobicContact CE-CD2 4.44Å; M138-F147 HydrophobicContact CE-CG 4.06Å; M138-F147 HydrophobicContact SD-CB 3.95Å; M138-F147 HydrophobicContact SD-CD1 4.22Å; M138-F147 HydrophobicContact SD-CG 4.19Å
139A96.2Very high89.3Confident91 Ų9161.6 Ų61.675%0.75234%0.336SS*.SBendtrans-55.8-36.6-177.400000114
140S96.5Very high91.2Very high52 Ų5254.1 Ų54.136%0.36430%0.297SS..  trans-150.3166.9179.281.50000113.3M138 D142 A143 C144M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.24Å; S140-D142 VanDerWaalsContact C-N 3.3Å; S140-D142 PolarHBondContact O-N 2.64Å; S140-D142 PolarHBondContact OG-N 2.94Å; S140-A143 WeakPolarHBondContact OG-CB 3.3Å; S140-A143 PolarHBondContact OG-N 2.71Å; S140-C144 WeakPolarHBondContact O-CB 3.22Å; S140-C144 PolarHBondContact O-N 3.21Å
141R95.6Very high93.1Very high145 Ų14550.5 Ų50.555%0.54727%0.273SS..Hα-helixtrans-56.6-43.4171.9172.8-174.2174.6-118.116.6112.4R115 C144 K145R115-R141 VanDerWaalsContact O-CA 3.3Å; R115-R141 WeakPolarHBondContact O-CA 3.26Å; R141-C144 PolarHBondContact O-N 2.95Å; R141-K145 VanDerWaalsContact O-CB 3.28Å; R141-K145 WeakPolarHBondContact O-CB 3.33Å; R141-K145 PolarHBondContact O-N 2.86Å
142D94.5Very high94.2Very high77 Ų7742.6 Ų42.641%0.41224%0.238SC..Hα-helixtrans-83-25.9-173.1-72-79.7000112S140 K145 A146S140-D142 VanDerWaalsContact C-N 3.3Å; S140-D142 PolarHBondContact O-N 2.64Å; S140-D142 PolarHBondContact OG-N 2.94Å; D142-K145 WeakPolarHBondContact OD1-CD 3.28Å; D142-K145 IonicContact OD1-NZ 2.71Å; D142-K145 PolarHBondContact OD1-NZ 3.41Å; D142-A146 VanDerWaalsContact O-CB 3.3Å; D142-A146 WeakPolarHBondContact O-CB 3.33Å; D142-A146 PolarHBondContact O-N 3.32Å
143A95.4Very high94.6Very high36 Ų3639.9 Ų39.930%0.29822%0.224SC..Hα-helixtrans-62-46.8162.500000111.5S140 K145 A146 F147S140-A143 WeakPolarHBondContact OG-CB 3.3Å; S140-A143 PolarHBondContact OG-N 2.71Å; A143-K145 PolarHBondContact O-N 3.08Å; A143-A146 WeakPolarHBondContact O-CB 3.4Å; A143-A146 PolarHBondContact O-N 2.9Å; A143-F147 PolarHBondContact O-N 2.89Å
144C95.9Very high94.7Very high0 Ų038.9 Ų38.90%022%0.215CC..Hα-helixtrans-62.7-41.3177.9-166.90000112.9F113 H117 F118 M138 S140 R141 W148F113-C144 VanDerWaalsContact CB-SG 3.5Å; H117-C144 VanDerWaalsContact C-SG 3.52Å; F118-C144 PolarHBondContact N-SG 3.11Å; F118-C144 VanDerWaalsContact N-SG 3.39Å; M138-C144 HydrophobicContact CB-CB 4.21Å; M138-C144 HydrophobicContact CG-CB 4.4Å; M138-C144 HydrophobicContact SD-CB 4.06Å; S140-C144 WeakPolarHBondContact O-CB 3.22Å; S140-C144 PolarHBondContact O-N 3.21Å; R141-C144 PolarHBondContact O-N 2.95Å; C144-W148 WeakPolarHBondContact O-CB 3.39Å; C144-W148 PolarHBondContact O-N 3.17Å
145K93.7Very high94.7Very high60 Ų6036.9 Ų36.926%0.26121%0.205SC..Hα-helixtrans-67-34.5173.4176.6-179.6158.7-154.90112.9F113 R141 D142 A143 K149F113-K145 HydrophobicContact CD2-CB 4.34Å; F113-K145 HydrophobicContact CE1-CB 4.26Å; F113-K145 HydrophobicContact CE1-CG 4.28Å; F113-K145 HydrophobicContact CE2-CB 3.69Å; F113-K145 HydrophobicContact CE2-CD 4.44Å; F113-K145 HydrophobicContact CE2-CG 4.12Å; F113-K145 HydrophobicContact CZ-CB 3.65Å; F113-K145 HydrophobicContact CZ-CD 4.17Å; F113-K145 HydrophobicContact CZ-CG 3.63Å; R141-K145 VanDerWaalsContact O-CB 3.28Å; R141-K145 WeakPolarHBondContact O-CB 3.33Å; R141-K145 PolarHBondContact O-N 2.86Å; D142-K145 WeakPolarHBondContact OD1-CD 3.28Å; D142-K145 IonicContact OD1-NZ 2.71Å; D142-K145 PolarHBondContact OD1-NZ 3.41Å; A143-K145 PolarHBondContact O-N 3.08Å; K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 2.88Å
146A94.1Very high94.4Very high47 Ų4732.5 Ų32.539%0.38818%0.184SC..Hα-helixtrans-67.1-51.3174.200000110.4D142 A143 W148 K149 T150D142-A146 VanDerWaalsContact O-CB 3.3Å; D142-A146 WeakPolarHBondContact O-CB 3.33Å; D142-A146 PolarHBondContact O-N 3.32Å; A143-A146 WeakPolarHBondContact O-CB 3.4Å; A143-A146 PolarHBondContact O-N 2.9Å; A146-W148 VanDerWaalsContact C-N 3.29Å; A146-W148 PolarHBondContact O-N 3.27Å; A146-K149 WeakPolarHBondContact O-CA 3.11Å; A146-K149 WeakPolarHBondContact O-CB 3.46Å; A146-K149 PolarHBondContact O-N 3.01Å; A146-T150 PolarHBondContact O-N 3.27Å; A146-T150 PolarHBondContact O-OG1 3.47Å
147F96Very high94Very high0 Ų032.9 Ų32.90%019%0.186CC..Hα-helixtrans-55.3-43.9175.6-170.4-106.4000112.2H72 L84 V86 V91 F118 M138 A143 K149 T150 C151H72-F147 HydrophobicContact CB-CD2 4.11Å; H72-F147 HydrophobicContact CB-CE2 4.44Å; H72-F147 AromaticContact CD2-CD2 3.43Å; H72-F147 VanDerWaalsContact CD2-CD2 3.43Å; H72-F147 WeakPolarHBondContact CD2-CD2 3.47Å; H72-F147 AromaticContact CD2-CE2 3.63Å; H72-F147 AromaticContact CG-CD2 3.71Å; H72-F147 AromaticContact NE2-CD2 3.88Å; L84-F147 HydrophobicContact CB-CE1 3.95Å; L84-F147 HydrophobicContact CB-CE2 3.9Å; L84-F147 HydrophobicContact CB-CZ 3.48Å; L84-F147 VanDerWaalsContact CB-CZ 3.48Å; L84-F147 HydrophobicContact CD1-CD1 4.39Å; L84-F147 HydrophobicContact CD1-CE1 3.92Å; L84-F147 HydrophobicContact CD1-CZ 4.33Å; V86-F147 HydrophobicContact CG2-CD2 4.12Å; V86-F147 HydrophobicContact CG2-CE2 3.46Å; V86-F147 VanDerWaalsContact CG2-CE2 3.46Å; V86-F147 HydrophobicContact CG2-CZ 3.7Å; V91-F147 HydrophobicContact CG1-CE1 4.21Å; V91-F147 HydrophobicContact CG1-CZ 4.04Å; F118-F147 HydrophobicContact CD1-CD1 4.14Å; F118-F147 HydrophobicContact CD1-CE1 4.03Å; F118-F147 HydrophobicContact CD2-CD1 4.01Å; F118-F147 AromaticContact CE1-CD1 3.98Å; F118-F147 HydrophobicContact CE1-CD1 3.98Å; F118-F147 AromaticContact CE1-CE1 3.65Å; F118-F147 HydrophobicContact CE1-CE1 3.65Å; F118-F147 AromaticContact CE2-CD1 3.85Å; F118-F147 HydrophobicContact CE2-CD1 3.85Å; F118-F147 HydrophobicContact CE2-CE1 4.31Å; F118-F147 HydrophobicContact CG-CD1 4.16Å; F118-F147 AromaticContact CZ-CD1 3.83Å; F118-F147 HydrophobicContact CZ-CD1 3.83Å; F118-F147 AromaticContact CZ-CE1 3.81Å; F118-F147 HydrophobicContact CZ-CE1 3.81Å; M138-F147 HydrophobicContact CE-CB 3.92Å; M138-F147 HydrophobicContact CE-CD2 4.44Å; M138-F147 HydrophobicContact CE-CG 4.06Å; M138-F147 HydrophobicContact SD-CB 3.95Å; M138-F147 HydrophobicContact SD-CD1 4.22Å; M138-F147 HydrophobicContact SD-CG 4.19Å; A143-F147 PolarHBondContact O-N 2.89Å; F147-K149 VanDerWaalsContact C-N 3.32Å; F147-K149 PolarHBondContact O-N 3.01Å; F147-T150 PolarHBondContact O-N 3.24Å; F147-T150 VanDerWaalsContact O-N 3.16Å; F147-C151 PolarHBondContact O-N 3.03Å; F147-C151 PolarHBondContact O-SG 3.01Å; F147-C151 VanDerWaalsContact O-SG 3.34Å
148W95.3Very high93.7Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-59.3-37.4173.9177.586.5000113.4L111 F113 F118 C144 A146 V152 F179 L559 L564L111-W148 PolarHBondContact O-NE1 3.12Å; F113-W148 HydrophobicContact CD1-CB 3.75Å; F113-W148 AromaticContact CD1-CD1 3.98Å; F113-W148 AromaticContact CD1-CD2 3.97Å; F113-W148 HydrophobicContact CD1-CD2 3.97Å; F113-W148 HydrophobicContact CD1-CE3 4.5Å; F113-W148 AromaticContact CD1-CG 3.6Å; F113-W148 HydrophobicContact CD1-CG 3.6Å; F113-W148 HydrophobicContact CE1-CB 4.18Å; F113-W148 AromaticContact CE1-CD2 3.83Å; F113-W148 HydrophobicContact CE1-CD2 3.83Å; F113-W148 AromaticContact CE1-CE3 3.93Å; F113-W148 HydrophobicContact CE1-CE3 3.93Å; F113-W148 AromaticContact CE1-CG 3.94Å; F113-W148 HydrophobicContact CE1-CG 3.94Å; F118-W148 HydrophobicContact CD2-CB 4.43Å; F118-W148 HydrophobicContact CE2-CB 3.96Å; F118-W148 HydrophobicContact CE2-CG 4.49Å; C144-W148 WeakPolarHBondContact O-CB 3.39Å; C144-W148 PolarHBondContact O-N 3.17Å; A146-W148 VanDerWaalsContact C-N 3.29Å; A146-W148 PolarHBondContact O-N 3.27Å; W148-V152 HydrophobicContact CD2-CG2 4.29Å; W148-V152 HydrophobicContact CE3-CG2 4.43Å; W148-V152 HydrophobicContact CH2-CG2 4.07Å; W148-V152 HydrophobicContact CZ2-CG2 3.9Å; W148-V152 HydrophobicContact CZ3-CG2 4.33Å; W148-V152 WeakPolarHBondContact O-CG2 3.3Å; W148-V152 PolarHBondContact O-N 2.87Å; W148-V152 VanDerWaalsContact O-N 3.14Å; W148-F179 HydrophobicContact CZ3-CB 4.23Å; W148-F179 HydrophobicContact CZ3-CD1 4.44Å; W148-L559 HydrophobicContact CH2-CD2 4Å; W148-L559 HydrophobicContact CZ2-CD2 3.93Å; W148-L564 HydrophobicContact CZ2-CB 4.19Å
149K91.4Very high93.2Very high65 Ų6538.4 Ų38.428%0.28321%0.205SC..Hα-helixtrans-64.6-47.4172.4-70.2-178.7177.4-177.20111.3K145 A146 F147 C151 V152 E153 F179K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 2.88Å; A146-K149 WeakPolarHBondContact O-CA 3.11Å; A146-K149 WeakPolarHBondContact O-CB 3.46Å; A146-K149 PolarHBondContact O-N 3.01Å; F147-K149 VanDerWaalsContact C-N 3.32Å; F147-K149 PolarHBondContact O-N 3.01Å; K149-C151 PolarHBondContact O-N 3.35Å; K149-V152 CarbonylContact O-C 3.45Å; K149-V152 WeakPolarHBondContact O-CA 3.27Å; K149-V152 WeakPolarHBondContact O-CB 3.4Å; K149-V152 PolarHBondContact O-N 2.9Å; K149-E153 WeakPolarHBondContact O-CG 3.34Å; K149-E153 PolarHBondContact O-N 2.87Å; K149-F179 HydrophobicContact CB-CD1 3.96Å; K149-F179 HydrophobicContact CB-CE1 3.74Å; K149-F179 HydrophobicContact CB-CZ 4.16Å; K149-F179 HydrophobicContact CD-CD1 4.32Å; K149-F179 HydrophobicContact CD-CD2 3.99Å; K149-F179 HydrophobicContact CD-CE1 4.41Å; K149-F179 HydrophobicContact CD-CE2 4.1Å; K149-F179 HydrophobicContact CD-CG 4.1Å; K149-F179 HydrophobicContact CD-CZ 4.31Å; K149-F179 HydrophobicContact CG-CB 4.42Å; K149-F179 HydrophobicContact CG-CD1 3.67Å; K149-F179 HydrophobicContact CG-CD2 4.23Å; K149-F179 HydrophobicContact CG-CE1 3.93Å; K149-F179 HydrophobicContact CG-CE2 4.46Å; K149-F179 HydrophobicContact CG-CG 3.83Å; K149-F179 HydrophobicContact CG-CZ 4.32Å
150T93.4Very high92.7Very high18 Ų1834.8 Ų34.811%0.1117%0.173CC..Hα-helixtrans-57.1-39.4179-520000111V86 A146 F147 E153 Y154V86-T150 HydrophobicContact CB-CG2 4.14Å; V86-T150 HydrophobicContact CG2-CG2 3.88Å; A146-T150 PolarHBondContact O-N 3.27Å; A146-T150 PolarHBondContact O-OG1 3.47Å; F147-T150 PolarHBondContact O-N 3.24Å; F147-T150 VanDerWaalsContact O-N 3.16Å; T150-E153 PolarHBondContact O-N 3.32Å; T150-Y154 HydrophobicContact CG2-CD2 3.73Å; T150-Y154 HydrophobicContact CG2-CE2 3.49Å; T150-Y154 VanDerWaalsContact CG2-CE2 3.49Å; T150-Y154 VanDerWaalsContact O-CD2 3.26Å; T150-Y154 WeakPolarHBondContact O-CD2 3.06Å; T150-Y154 PolarHBondContact O-N 3.08Å
151C95Very high91.9Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-62.6-41171.1-62.70000113.7V86 W105 L111 F147 K149 E153 H155V86-C151 VanDerWaalsContact CG2-SG 3.55Å; W105-C151 HydrophobicContact CH2-CB 4.29Å; L111-C151 HydrophobicContact CD1-CB 3.47Å; L111-C151 VanDerWaalsContact CD1-CB 3.47Å; F147-C151 PolarHBondContact O-N 3.03Å; F147-C151 PolarHBondContact O-SG 3.01Å; F147-C151 VanDerWaalsContact O-SG 3.34Å; K149-C151 PolarHBondContact O-N 3.35Å; C151-E153 VanDerWaalsContact C-N 3.33Å; C151-H155 VanDerWaalsContact O-CB 3.28Å; C151-H155 WeakPolarHBondContact O-CB 3.36Å; C151-H155 PolarHBondContact O-N 3.41Å
152V91Very high90.8Very high1 Ų131.5 Ų31.51%0.00616%0.162CC..Hα-helixtrans-62.1-40.8173.3173.30000111W148 K149 A156 F179 L559 L564W148-V152 HydrophobicContact CD2-CG2 4.29Å; W148-V152 HydrophobicContact CE3-CG2 4.43Å; W148-V152 HydrophobicContact CH2-CG2 4.07Å; W148-V152 HydrophobicContact CZ2-CG2 3.9Å; W148-V152 HydrophobicContact CZ3-CG2 4.33Å; W148-V152 WeakPolarHBondContact O-CG2 3.3Å; W148-V152 PolarHBondContact O-N 2.87Å; W148-V152 VanDerWaalsContact O-N 3.14Å; K149-V152 CarbonylContact O-C 3.45Å; K149-V152 WeakPolarHBondContact O-CA 3.27Å; K149-V152 WeakPolarHBondContact O-CB 3.4Å; K149-V152 PolarHBondContact O-N 2.9Å; V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.42Å; V152-F179 HydrophobicContact CB-CD1 4.33Å; V152-F179 HydrophobicContact CB-CE1 4.16Å; V152-F179 HydrophobicContact CG1-CD1 4.15Å; V152-F179 HydrophobicContact CG1-CE1 4.04Å; V152-L559 HydrophobicContact CG1-CD1 4.38Å; V152-L559 HydrophobicContact CG1-CD2 4.28Å; V152-L559 HydrophobicContact CG2-CD2 4.02Å; V152-L564 HydrophobicContact CG2-CB 4.1Å; V152-L564 HydrophobicContact CG2-CD1 4.32Å; V152-L564 HydrophobicContact CG2-CD2 3.83Å; V152-L564 HydrophobicContact CG2-CG 4.31Å
153E91.7Very high89.9Confident19 Ų1931.4 Ų31.49%0.08916%0.159CC..Hα-helixtrans-70.3-49.4-178.7-68-176.293.300112.4K149 T150 C151 A156 F157 F179 Y181 S485K149-E153 WeakPolarHBondContact O-CG 3.34Å; K149-E153 PolarHBondContact O-N 2.87Å; T150-E153 PolarHBondContact O-N 3.32Å; C151-E153 VanDerWaalsContact C-N 3.33Å; E153-A156 PolarHBondContact O-N 2.95Å; E153-F157 WeakPolarHBondContact O-CB 3.32Å; E153-F157 PolarHBondContact O-N 3.11Å; E153-F179 HydrophobicContact CG-CE1 3.78Å; E153-F179 HydrophobicContact CG-CZ 3.6Å; E153-Y181 HydrophobicContact CB-CD2 4.08Å; E153-Y181 HydrophobicContact CG-CD2 4.13Å; E153-S485 VanDerWaalsContact OE1-CA 3.28Å; E153-S485 WeakPolarHBondContact OE1-CA 3.27Å; E153-S485 VanDerWaalsContact OE1-CB 3.3Å; E153-S485 WeakPolarHBondContact OE1-CB 3.47Å; E153-S485 PolarHBondContact OE1-OG 3.34Å
154Y92.8Very high88.5Confident21 Ų2131 Ų318%0.08215%0.153CC..Hα-helixtrans-62.3-46.8177.1-83.6-122.9000111R70 V86 T150 A156 F157 F158 E486 F487R70-Y154 PolarHBondContact NH2-OH 3.14Å; R70-Y154 VanDerWaalsContact NH2-OH 3.09Å; V86-Y154 HydrophobicContact CB-CD1 4.16Å; V86-Y154 HydrophobicContact CB-CD2 4.33Å; V86-Y154 HydrophobicContact CB-CE1 4.3Å; V86-Y154 HydrophobicContact CB-CE2 4.45Å; V86-Y154 HydrophobicContact CB-CG 4.17Å; V86-Y154 HydrophobicContact CG1-CD1 3.71Å; V86-Y154 HydrophobicContact CG1-CD2 3.99Å; V86-Y154 HydrophobicContact CG1-CE1 4.34Å; V86-Y154 HydrophobicContact CG1-CG 3.49Å; V86-Y154 VanDerWaalsContact CG1-CG 3.49Å; V86-Y154 WeakPolarHBondContact O-CE1 3.21Å; T150-Y154 HydrophobicContact CG2-CD2 3.73Å; T150-Y154 HydrophobicContact CG2-CE2 3.49Å; T150-Y154 VanDerWaalsContact CG2-CE2 3.49Å; T150-Y154 VanDerWaalsContact O-CD2 3.26Å; T150-Y154 WeakPolarHBondContact O-CD2 3.06Å; T150-Y154 PolarHBondContact O-N 3.08Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.95Å; Y154-F157 PolarHBondContact O-N 2.67Å; Y154-F158 HydrophobicContact CD1-CD2 4.08Å; Y154-F158 AromaticContact CD1-CE2 3.65Å; Y154-F158 HydrophobicContact CD1-CE2 3.65Å; Y154-F158 HydrophobicContact CE1-CE2 4.21Å; Y154-F158 HydrophobicContact CG-CD2 4.38Å; Y154-F158 HydrophobicContact CG-CE2 4.19Å; Y154-F158 WeakPolarHBondContact O-CB 3.39Å; Y154-F158 VanDerWaalsContact O-CD2 3.27Å; Y154-F158 WeakPolarHBondContact O-CD2 3.25Å; Y154-F158 PolarHBondContact O-N 3.08Å; Y154-E486 WeakPolarHBondContact CE2-OE1 3.47Å; Y154-F487 HydrophobicContact CD1-CZ 4.48Å; Y154-F487 AromaticContact CD2-CE2 3.68Å; Y154-F487 HydrophobicContact CD2-CE2 3.68Å; Y154-F487 AromaticContact CD2-CZ 3.79Å; Y154-F487 HydrophobicContact CD2-CZ 3.79Å; Y154-F487 HydrophobicContact CE1-CZ 4.31Å; Y154-F487 AromaticContact CE2-CE2 3.7Å; Y154-F487 HydrophobicContact CE2-CE2 3.7Å; Y154-F487 AromaticContact CE2-CZ 3.59Å; Y154-F487 HydrophobicContact CE2-CZ 3.59Å; Y154-F487 HydrophobicContact CG-CE2 4.41Å; Y154-F487 HydrophobicContact CG-CZ 4.26Å; Y154-F487 AromaticContact CZ-CZ 3.89Å
155H91.6Very high87Confident1 Ų138 Ų381%0.00518%0.184CC..Hα-helixtrans-60.7-44177.7-174.9-73.3000111.3W105 C151 R159 I557 L566W105-H155 HydrophobicContact CD2-CB 4.46Å; W105-H155 AromaticContact CD2-CD2 3.79Å; W105-H155 HydrophobicContact CE3-CB 4.35Å; W105-H155 AromaticContact CE3-CD2 3.78Å; W105-H155 AromaticContact CG-CD2 3.92Å; W105-H155 HydrophobicContact CZ3-CB 4.38Å; C151-H155 VanDerWaalsContact O-CB 3.28Å; C151-H155 WeakPolarHBondContact O-CB 3.36Å; C151-H155 PolarHBondContact O-N 3.41Å; H155-R159 VanDerWaalsContact O-CB 3.32Å; H155-R159 WeakPolarHBondContact O-CB 3.49Å; H155-R159 PolarHBondContact O-N 2.91Å; H155-I557 WeakPolarHBondContact ND1-CD1 3.03Å; H155-L566 VanDerWaalsContact CD2-CD1 3.43Å; H155-L566 WeakPolarHBondContact CD2-CD1 3.39Å
156A89.4Confident85.1Confident0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-63.6-43.217800000112.6V152 E153 Y154 L160 P164 Y181 I557V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.42Å; E153-A156 PolarHBondContact O-N 2.95Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.95Å; A156-L160 HydrophobicContact CB-CD1 4.06Å; A156-L160 WeakPolarHBondContact O-CB 3.46Å; A156-L160 PolarHBondContact O-N 3.34Å; A156-P164 HydrophobicContact CB-CG 4.46Å; A156-Y181 HydrophobicContact CB-CD1 3.66Å; A156-Y181 HydrophobicContact CB-CD2 4.06Å; A156-Y181 HydrophobicContact CB-CG 3.39Å; A156-I557 HydrophobicContact CB-CD1 3.92Å
157F89.8Confident83.3Confident21 Ų2146 Ų469%0.09222%0.223CC..Hα-helixtrans-68.9-45-179.5179.6-107.1000113E153 Y154 Y181 R184 Q186 L189 F487E153-F157 WeakPolarHBondContact O-CB 3.32Å; E153-F157 PolarHBondContact O-N 3.11Å; Y154-F157 PolarHBondContact O-N 2.67Å; F157-Y181 HydrophobicContact CB-CE2 4.19Å; F157-R184 WeakPolarHBondContact CD2-O 3.2Å; F157-R184 WeakPolarHBondContact CE2-O 3.1Å; F157-Q186 HydrophobicContact CD1-CB 4.38Å; F157-Q186 HydrophobicContact CE1-CB 3.99Å; F157-Q186 HydrophobicContact CE1-CG 4.41Å; F157-Q186 HydrophobicContact CE2-CB 4.26Å; F157-Q186 HydrophobicContact CZ-CB 3.93Å; F157-Q186 HydrophobicContact CZ-CG 4.37Å; F157-Q186 WeakPolarHBondContact O-CB 2.89Å; F157-Q186 PolarHBondContact O-N 3.03Å; F157-L189 HydrophobicContact CE2-CD1 3.83Å; F157-L189 HydrophobicContact CZ-CD1 4.15Å; F157-F487 HydrophobicContact CB-CG 4.49Å; F157-F487 AromaticContact CD1-CD1 3.8Å; F157-F487 HydrophobicContact CD1-CD1 3.8Å; F157-F487 AromaticContact CD1-CE1 3.96Å; F157-F487 HydrophobicContact CD1-CE1 3.96Å; F157-F487 HydrophobicContact CD1-CG 4.31Å; F157-F487 HydrophobicContact CD2-CB 4.12Å; F157-F487 HydrophobicContact CD2-CD1 4.34Å; F157-F487 HydrophobicContact CD2-CG 4.27Å; F157-F487 AromaticContact CE1-CD1 3.86Å; F157-F487 HydrophobicContact CE1-CD1 3.86Å; F157-F487 HydrophobicContact CE1-CE1 4.13Å; F157-F487 HydrophobicContact CE2-CB 4.36Å; F157-F487 HydrophobicContact CE2-CD1 4.38Å; F157-F487 HydrophobicContact CG-CB 4.43Å; F157-F487 HydrophobicContact CG-CD1 4.05Å; F157-F487 HydrophobicContact CG-CG 4.1Å; F157-F487 HydrophobicContact CZ-CD1 4.16Å
158F89.9Confident81.2Confident55 Ų5552 Ų5224%0.24126%0.262CS..Hα-helixtrans-90.3-25.6-172.9-70.5-70.9000114.8H88 Y154 F487H88-F158 HydrophobicContact CB-CD1 3.61Å; H88-F158 HydrophobicContact CB-CD2 3.97Å; H88-F158 HydrophobicContact CB-CE1 3.6Å; H88-F158 HydrophobicContact CB-CE2 3.97Å; H88-F158 HydrophobicContact CB-CG 3.82Å; H88-F158 HydrophobicContact CB-CZ 3.79Å; Y154-F158 HydrophobicContact CD1-CD2 4.08Å; Y154-F158 AromaticContact CD1-CE2 3.65Å; Y154-F158 HydrophobicContact CD1-CE2 3.65Å; Y154-F158 HydrophobicContact CE1-CE2 4.21Å; Y154-F158 HydrophobicContact CG-CD2 4.38Å; Y154-F158 HydrophobicContact CG-CE2 4.19Å; Y154-F158 WeakPolarHBondContact O-CB 3.39Å; Y154-F158 VanDerWaalsContact O-CD2 3.27Å; Y154-F158 WeakPolarHBondContact O-CD2 3.25Å; Y154-F158 PolarHBondContact O-N 3.08Å; F158-F487 HydrophobicContact CE2-CE1 4.38Å; F158-F487 HydrophobicContact CE2-CZ 4.35Å; F158-F487 HydrophobicContact CZ-CE1 4.49Å
159R88.2Confident79.3Confident97 Ų9760 Ų6037%0.36630%0.297SS..Hα-helixtrans-108.6-23.5-176-60.3-69.4-73.7163.5-4.4115W105 H155 A555 E568W105-R159 HydrophobicContact CB-CG 4.31Å; W105-R159 HydrophobicContact CG-CG 4.23Å; H155-R159 VanDerWaalsContact O-CB 3.32Å; H155-R159 WeakPolarHBondContact O-CB 3.49Å; H155-R159 PolarHBondContact O-N 2.91Å; R159-A555 HydrophobicContact CB-CB 4.15Å; R159-E568 IonicContact CZ-OE1 3.02Å; R159-E568 IonicContact NE-OE1 2.72Å; R159-E568 VanDerWaalsContact NH2-CD 3.27Å; R159-E568 IonicContact NH2-OE1 2.77Å; R159-E568 PolarHBondContact NH2-OE1 2.68Å; R159-E568 IonicContact NH2-OE2 3.32Å; R159-E568 PolarHBondContact NH2-OE2 3.42Å; R159-E568 VanDerWaalsContact NH2-OE2 3.14Å
160L85.2Confident77.6Confident16 Ų1663 Ų638%0.08432%0.32CS..  trans-89.9141.9-176.2-58.5-178.1000113.5A156 E162 P164 T185 A555 I557A156-L160 HydrophobicContact CB-CD1 4.06Å; A156-L160 WeakPolarHBondContact O-CB 3.46Å; A156-L160 PolarHBondContact O-N 3.34Å; L160-E162 WeakPolarHBondContact CB-O 3.31Å; L160-P164 HydrophobicContact CD1-CG 3.65Å; L160-T185 HydrophobicContact CB-CG2 4.2Å; L160-T185 WeakPolarHBondContact O-CB 3.33Å; L160-T185 WeakPolarHBondContact O-CG2 3.49Å; L160-T185 PolarHBondContact O-OG1 3.12Å; L160-A555 WeakPolarHBondContact CD2-O 3.34Å; L160-I557 HydrophobicContact CD1-CB 4.48Å; L160-I557 HydrophobicContact CD1-CD1 3.84Å; L160-I557 HydrophobicContact CD1-CG1 4.12Å; L160-I557 HydrophobicContact CD2-CG1 4.3Å; L160-I557 HydrophobicContact CG-CD1 4.42Å
161S79.2Confident75.9Confident38 Ų3870.4 Ų70.427%0.26636%0.358SS..SBendtrans-73.8-27.5171.850.80000113.6Q188S161-Q188 WeakPolarHBondContact O-CG 3.44Å
162E74.3Confident74.2Confident89 Ų8978.4 Ų78.442%0.41640%0.4SS..SBendtrans-138.8159.9-178.7-65.5-176.2146.100111.8L160 K165L160-E162 WeakPolarHBondContact CB-O 3.31Å; E162-K165 VanDerWaalsContact CD-NZ 3.28Å; E162-K165 IonicContact OE1-NZ 2.97Å; E162-K165 PolarHBondContact OE1-NZ 2.99Å; E162-K165 WeakPolarHBondContact OE2-CE 3.24Å; E162-K165 IonicContact OE2-NZ 3.58Å; E162-K165 PolarHBondContact OE2-NZ 2.76Å
163E73.8Confident72.3Confident76 Ų7683.9 Ų83.936%0.35544%0.437SS..  trans-58.4137.8169.5-173.2175.8-176.800111.5K165 S182 G183E163-K165 PolarHBondContact O-N 2.86Å; E163-S182 WeakPolarHBondContact OE1-CA 3.46Å; E163-S182 WeakPolarHBondContact OE1-CB 3.45Å; E163-S182 PolarHBondContact OE1-OG 3.4Å; E163-G183 PolarHBondContact OE1-N 2.87Å
164P66.4Low70.4Confident27 Ų2788.5 Ų88.518%0.17547%0.471CS..  trans-6188.4-179.2-25.634.8000115A156 L160 S166A156-P164 HydrophobicContact CB-CG 4.46Å; L160-P164 HydrophobicContact CD1-CG 3.65Å; P164-S166 PolarHBondContact O-N 2.93Å
165K63.9Low68.5Low147 Ų14797 Ų9764%0.63951%0.509SS*.  trans-42.6124.2179.7-72.3168.9177.5160.10112.3E162 E163 K167E162-K165 VanDerWaalsContact CD-NZ 3.28Å; E162-K165 IonicContact OE1-NZ 2.97Å; E162-K165 PolarHBondContact OE1-NZ 2.99Å; E162-K165 WeakPolarHBondContact OE2-CE 3.24Å; E162-K165 IonicContact OE2-NZ 3.58Å; E162-K165 PolarHBondContact OE2-NZ 2.76Å; E163-K165 PolarHBondContact O-N 2.86Å; K165-K167 PolarHBondContact O-N 2.98Å
166S54.1Low67Low103 Ų10399.2 Ų99.272%0.7253%0.532SS*.  trans-7393.3-172.743.40000112P164P164-S166 PolarHBondContact O-N 2.93Å
167K56.9Low65.8Low173 Ų173100.4 Ų100.475%0.75254%0.54SS*.PPolyproline II helixtrans-59.2133.5167.6-65.2-163.5176.4-167.10109.9K165K165-K167 PolarHBondContact O-N 2.98Å
168P51.8Low64.8Low125 Ų125103.5 Ų103.581%0.81257%0.565SS**PPolyproline II helixtrans-60.7142.6-179.424.5-33.7000110.8T170P168-T170 PolarHBondContact O-N 2.78Å
169K56.5Low64.2Low169 Ų169102.9 Ų102.974%0.73556%0.562SS**PPolyproline II helixtrans-73.8125.7178.6-65.5177.5180176.10109.5
170T54.9Low63.7Low127 Ų127103.1 Ų103.178%0.77956%0.563SS**PPolyproline II helixtrans-64.9132158.540.80000108.7P168 L172P168-T170 PolarHBondContact O-N 2.78Å; T170-L172 PolarHBondContact O-N 2.94Å
171L58.5Low63.5Low174 Ų174102.5 Ų102.591%0.91156%0.559SS**THydrogen-bonded Turntrans-67.9-8.3-160.1-75.2163.4000115.9
172L57.3Low63.4Low168 Ų168104.2 Ų104.288%0.8857%0.571SS**THydrogen-bonded Turntrans-110-0.9-161-60.7176.6000116T170T170-L172 PolarHBondContact O-N 2.94Å
173C51Low63.8Low116 Ų116101.2 Ų101.278%0.78456%0.564SS**  trans-142.592.8179.6-980000113.5
174S53.2Low64.2Low115 Ų115103.7 Ų103.780%0.80457%0.57SS**  trans-104.50.317860.30000114.7G176S174-G176 PolarHBondContact O-N 2.85Å
175K53Low65.3Low200 Ų200102.4 Ų102.487%0.8756%0.562SS**  trans-77.276.1-166.5-156.6167.3-172172.10112.8S561K175-S561 PolarHBondContact O-OG 2.87Å
176G59.9Low66.4Low47 Ų4799.2 Ų99.249%0.48555%0.549SS..SBendtrans163.1-169.217200000114.4S174 S178 S561S174-G176 PolarHBondContact O-N 2.85Å; G176-S178 PolarHBondContact O-N 3.22Å; G176-S178 VanDerWaalsContact O-N 3.16Å; G176-S561 WeakPolarHBondContact CA-OG 3.27Å
177S64.3Low68Low26 Ų26100.1 Ų100.118%0.18254%0.536CS..  trans-75.7104-179.3-164.20000111.2F179S177-F179 PolarHBondContact O-N 3Å
178S68.7Low69.3Low86 Ų8694.7 Ų94.760%0.60151%0.514SS*.  trans-84.524.4172.278.60000113.1G176G176-S178 PolarHBondContact O-N 3.22Å; G176-S178 VanDerWaalsContact O-N 3.16Å
179F77.4Confident70.9Confident41 Ų4191 Ų9118%0.1849%0.487CS..  trans-66.6142.7179.9179.4-101.6000111W148 K149 V152 E153 S177W148-F179 HydrophobicContact CZ3-CB 4.23Å; W148-F179 HydrophobicContact CZ3-CD1 4.44Å; K149-F179 HydrophobicContact CB-CD1 3.96Å; K149-F179 HydrophobicContact CB-CE1 3.74Å; K149-F179 HydrophobicContact CB-CZ 4.16Å; K149-F179 HydrophobicContact CD-CD1 4.32Å; K149-F179 HydrophobicContact CD-CD2 3.99Å; K149-F179 HydrophobicContact CD-CE1 4.41Å; K149-F179 HydrophobicContact CD-CE2 4.1Å; K149-F179 HydrophobicContact CD-CG 4.1Å; K149-F179 HydrophobicContact CD-CZ 4.31Å; K149-F179 HydrophobicContact CG-CB 4.42Å; K149-F179 HydrophobicContact CG-CD1 3.67Å; K149-F179 HydrophobicContact CG-CD2 4.23Å; K149-F179 HydrophobicContact CG-CE1 3.93Å; K149-F179 HydrophobicContact CG-CE2 4.46Å; K149-F179 HydrophobicContact CG-CG 3.83Å; K149-F179 HydrophobicContact CG-CZ 4.32Å; V152-F179 HydrophobicContact CB-CD1 4.33Å; V152-F179 HydrophobicContact CB-CE1 4.16Å; V152-F179 HydrophobicContact CG1-CD1 4.15Å; V152-F179 HydrophobicContact CG1-CE1 4.04Å; E153-F179 HydrophobicContact CG-CE1 3.78Å; E153-F179 HydrophobicContact CG-CZ 3.6Å; S177-F179 PolarHBondContact O-N 3Å
180R77.1Confident72.3Confident103 Ų10387.4 Ų87.439%0.38948%0.475SS..  trans-143.2144.7176.5-63179.6179.8-89.8-8.4107.3L559R180-L559 HydrophobicContact CB-CD1 4.45Å; R180-L559 HydrophobicContact CG-CD1 3.96Å
181Y80.7Confident73.6Confident3 Ų384 Ų841%0.01245%0.451CS..  trans-60.4142.3163.7176.9-97.7000109.8E153 A156 F157 G183 R184 T185 S485 F487E153-Y181 HydrophobicContact CB-CD2 4.08Å; E153-Y181 HydrophobicContact CG-CD2 4.13Å; A156-Y181 HydrophobicContact CB-CD1 3.66Å; A156-Y181 HydrophobicContact CB-CD2 4.06Å; A156-Y181 HydrophobicContact CB-CG 3.39Å; F157-Y181 HydrophobicContact CB-CE2 4.19Å; Y181-G183 WeakPolarHBondContact CE1-O 3.26Å; Y181-R184 PolarHBondContact OH-O 2.89Å; Y181-T185 HydrophobicContact CE1-CG2 4.48Å; Y181-S485 WeakPolarHBondContact CE2-OG 3.24Å; Y181-F487 HydrophobicContact CE2-CB 4.46Å
182S77.7Confident74.5Confident74 Ų7482.1 Ų82.152%0.51743%0.432SS..  trans-146132.1171.1-178.10000110.1E163 S485E163-S182 WeakPolarHBondContact OE1-CA 3.46Å; E163-S182 WeakPolarHBondContact OE1-CB 3.45Å; E163-S182 PolarHBondContact OE1-OG 3.4Å; S182-S485 WeakPolarHBondContact O-CB 3.35Å
183G82.8Confident75.1Confident25 Ų2576.1 Ų76.126%0.25841%0.411SS..SBendtrans138.4175.6-165.300000112.4E163 Y181E163-G183 PolarHBondContact OE1-N 2.87Å; Y181-G183 WeakPolarHBondContact CE1-O 3.26Å
184R82.8Confident76Confident129 Ų12980.7 Ų80.749%0.48741%0.412SS..  trans-81.9128.7177.4-65.2179.9-177.7176.90.2110.3F157 Y181 Q188 L189F157-R184 WeakPolarHBondContact CD2-O 3.2Å; F157-R184 WeakPolarHBondContact CE2-O 3.1Å; Y181-R184 PolarHBondContact OH-O 2.89Å; R184-Q188 HydrophobicContact CB-CB 4.31Å; R184-L189 HydrophobicContact CB-CD2 3.84Å; R184-L189 HydrophobicContact CB-CG 4.01Å; R184-L189 HydrophobicContact CG-CD2 4.41Å
185T88.5Confident76.6Confident0 Ų082.7 Ų82.70%041%0.406CS..  trans-69163.3173.879.90000111.5L160 Y181 R187 Q188 L189L160-T185 HydrophobicContact CB-CG2 4.2Å; L160-T185 WeakPolarHBondContact O-CB 3.33Å; L160-T185 WeakPolarHBondContact O-CG2 3.49Å; L160-T185 PolarHBondContact O-OG1 3.12Å; Y181-T185 HydrophobicContact CE1-CG2 4.48Å; T185-R187 PolarHBondContact O-N 3.34Å; T185-Q188 PolarHBondContact O-N 2.82Å; T185-Q188 VanDerWaalsContact O-N 3.07Å; T185-Q188 PolarHBondContact OG1-N 2.85Å; T185-L189 PolarHBondContact O-N 2.7Å
186Q87.7Confident76.6Confident79 Ų7974.6 Ų74.637%0.36938%0.379SS..Hα-helixtrans-55.4-40.8177.2-170-169.110.900111.4F157 Q188 L189 L190F157-Q186 HydrophobicContact CD1-CB 4.38Å; F157-Q186 HydrophobicContact CE1-CB 3.99Å; F157-Q186 HydrophobicContact CE1-CG 4.41Å; F157-Q186 HydrophobicContact CE2-CB 4.26Å; F157-Q186 HydrophobicContact CZ-CB 3.93Å; F157-Q186 HydrophobicContact CZ-CG 4.37Å; F157-Q186 WeakPolarHBondContact O-CB 2.89Å; F157-Q186 PolarHBondContact O-N 3.03Å; Q186-Q188 PolarHBondContact O-N 3.32Å; Q186-L189 PolarHBondContact O-N 3.49Å; Q186-L190 HydrophobicContact CG-CD1 4.1Å; Q186-L190 HydrophobicContact CG-CG 4.49Å; Q186-L190 WeakPolarHBondContact O-CG 3.5Å; Q186-L190 PolarHBondContact O-N 3.02Å
187R86.5Confident76.2Confident122 Ų12284.6 Ų84.646%0.4640%0.402SS..Hα-helixtrans-61.2-45.4176.4-173.2179.9176.5141-1.6111.6T185 L189 L190 E191T185-R187 PolarHBondContact O-N 3.34Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 2.64Å; R187-L190 PolarHBondContact O-N 3.29Å; R187-E191 HydrophobicContact CG-CG 4.39Å; R187-E191 IonicContact CZ-OE1 3.59Å; R187-E191 IonicContact NE-OE1 2.81Å; R187-E191 PolarHBondContact NE-OE1 2.93Å; R187-E191 IonicContact NH2-OE1 3.46Å; R187-E191 PolarHBondContact NH2-OE1 3.18Å; R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 2.58Å
188Q84.6Confident75.7Confident60 Ų6089.7 Ų89.728%0.2843%0.427SS..Hα-helixtrans-63.6-35.7178.3-66179.1-41.600112.4S161 R184 T185 Q186 Y192S161-Q188 WeakPolarHBondContact O-CG 3.44Å; R184-Q188 HydrophobicContact CB-CB 4.31Å; T185-Q188 PolarHBondContact O-N 2.82Å; T185-Q188 VanDerWaalsContact O-N 3.07Å; T185-Q188 PolarHBondContact OG1-N 2.85Å; Q186-Q188 PolarHBondContact O-N 3.32Å; Q188-Y192 VanDerWaalsContact O-CB 3.24Å; Q188-Y192 WeakPolarHBondContact O-CB 3.44Å; Q188-Y192 PolarHBondContact O-N 3.35Å
189L86.3Confident75.1Confident46 Ų4694.3 Ų94.324%0.24144%0.436CS..Hα-helixtrans-67.9-45174.4-66.4175.3000112.1F157 R184 T185 Q186 R187 Y192 G193 P489F157-L189 HydrophobicContact CE2-CD1 3.83Å; F157-L189 HydrophobicContact CZ-CD1 4.15Å; R184-L189 HydrophobicContact CB-CD2 3.84Å; R184-L189 HydrophobicContact CB-CG 4.01Å; R184-L189 HydrophobicContact CG-CD2 4.41Å; T185-L189 PolarHBondContact O-N 2.7Å; Q186-L189 PolarHBondContact O-N 3.49Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 2.64Å; L189-Y192 PolarHBondContact O-N 3.47Å; L189-G193 PolarHBondContact O-N 2.93Å; L189-P489 HydrophobicContact CD1-CG 4.47Å; L189-P489 HydrophobicContact CD2-CG 4.22Å
190L84.6Confident74.2Confident94 Ų9498.4 Ų98.449%0.49247%0.47SS..Hα-helixtrans-64.7-42.6177.3-70.2170.7000112.1Q186 R187 G193 R194Q186-L190 HydrophobicContact CG-CD1 4.1Å; Q186-L190 HydrophobicContact CG-CG 4.49Å; Q186-L190 WeakPolarHBondContact O-CG 3.5Å; Q186-L190 PolarHBondContact O-N 3.02Å; R187-L190 PolarHBondContact O-N 3.29Å; L190-G193 PolarHBondContact O-N 2.93Å; L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 3.04Å; L190-R194 VanDerWaalsContact O-N 3.11Å
191E83.9Confident73.5Confident57 Ų57100 Ų10027%0.26649%0.485SS..Hα-helixtrans-65.8-38.3174.8-75.3-168.9-148.300112.3R187 R194 K195R187-E191 HydrophobicContact CG-CG 4.39Å; R187-E191 IonicContact CZ-OE1 3.59Å; R187-E191 IonicContact NE-OE1 2.81Å; R187-E191 PolarHBondContact NE-OE1 2.93Å; R187-E191 IonicContact NH2-OE1 3.46Å; R187-E191 PolarHBondContact NH2-OE1 3.18Å; R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 2.58Å; E191-R194 PolarHBondContact O-N 2.99Å; E191-K195 HydrophobicContact CB-CD 4.5Å; E191-K195 VanDerWaalsContact O-CB 3.31Å; E191-K195 WeakPolarHBondContact O-CB 3.5Å; E191-K195 WeakPolarHBondContact O-CD 3.36Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 IonicContact OE2-NZ 2.7Å; E191-K195 PolarHBondContact OE2-NZ 2.85Å
192Y76.1Confident72.6Confident134 Ų134105.6 Ų105.653%0.52552%0.522SS..Hα-helixtrans-63-44.7175.9-174.7-100.7000111.7Q188 L189 R194 K195 G196Q188-Y192 VanDerWaalsContact O-CB 3.24Å; Q188-Y192 WeakPolarHBondContact O-CB 3.44Å; Q188-Y192 PolarHBondContact O-N 3.35Å; L189-Y192 PolarHBondContact O-N 3.47Å; Y192-R194 VanDerWaalsContact C-N 3.35Å; Y192-R194 PolarHBondContact O-N 3.45Å; Y192-K195 PolarHBondContact O-N 3.14Å; Y192-K195 VanDerWaalsContact O-N 3.14Å; Y192-G196 PolarHBondContact O-N 3.41Å
193G70.1Confident72.2Confident41 Ų41107.2 Ų107.242%0.42352%0.52SS..Hα-helixtrans-60.1-40.5175.100000113.3L189 L190 K195L189-G193 PolarHBondContact O-N 2.93Å; L190-G193 PolarHBondContact O-N 2.93Å; G193-K195 VanDerWaalsContact C-N 3.33Å; G193-K195 PolarHBondContact O-N 3.22Å
194R69.6Low71.7Confident213 Ų213113.2 Ų113.280%0.80454%0.541SS*.Hα-helixtrans-67.5-29.7174.4-69.3175-172.9-173.51.9113.5L190 E191 Y192L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 3.04Å; L190-R194 VanDerWaalsContact O-N 3.11Å; E191-R194 PolarHBondContact O-N 2.99Å; Y192-R194 VanDerWaalsContact C-N 3.35Å; Y192-R194 PolarHBondContact O-N 3.45Å
195K65.7Low71.2Confident157 Ų157110.1 Ų110.168%0.68353%0.529SS*.Hα-helixtrans-90.2-11.1-172.2-74.4166.8179.5169.30114.4E191 Y192 G193E191-K195 HydrophobicContact CB-CD 4.5Å; E191-K195 VanDerWaalsContact O-CB 3.31Å; E191-K195 WeakPolarHBondContact O-CB 3.5Å; E191-K195 WeakPolarHBondContact O-CD 3.36Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 IonicContact OE2-NZ 2.7Å; E191-K195 PolarHBondContact OE2-NZ 2.85Å; Y192-K195 PolarHBondContact O-N 3.14Å; Y192-K195 VanDerWaalsContact O-N 3.14Å; G193-K195 VanDerWaalsContact C-N 3.33Å; G193-K195 PolarHBondContact O-N 3.22Å
196G53.1Low70.5Confident30 Ų30116.7 Ų116.731%0.30956%0.558SS.*SBendtrans-153102.4-172.700000116.6Y192 L198Y192-G196 PolarHBondContact O-N 3.41Å; G196-L198 PolarHBondContact O-N 3.03Å
197R51.2Low69.2Low257 Ų257119.9 Ų119.997%0.9757%0.572SS**  trans40.60.8147.5-66.2-167.4-180-153.10.8121.7K199R197-K199 VanDerWaalsContact C-N 3.3Å; R197-K199 PolarHBondContact O-N 3.26Å
198L54.4Low67.8Low133 Ų133122.7 Ų122.770%0.69658%0.584SS**  trans-73.187.6169-69.2171000108.3G196 S200G196-L198 PolarHBondContact O-N 3.03Å; L198-S200 PolarHBondContact O-N 2.79Å
199K56.3Low66Low182 Ų182125 Ų12579%0.79160%0.604SS**  trans-49.4136.8152.2-69.4-173.2176.8-173.80106.8R197 L201R197-K199 VanDerWaalsContact C-N 3.3Å; R197-K199 PolarHBondContact O-N 3.26Å; K199-L201 PolarHBondContact O-N 3.24Å
200S58.4Low64.1Low127 Ų127127.6 Ų127.689%0.88863%0.627SS**  trans-66.591.2171.6-171.90000108L198L198-S200 PolarHBondContact O-N 2.79Å
201L62.4Low62.2Low138 Ų138131.4 Ų131.472%0.72364%0.642SS**PPolyproline II helixtrans-58.9141.3171.1-63.8177.3000107.9K199 F203K199-L201 PolarHBondContact O-N 3.24Å; L201-F203 PolarHBondContact O-N 3.03Å
202P63.2Low60.2Low119 Ų119138.6 Ų138.677%0.77367%0.668SS**PPolyproline II helixtrans-55.7141.4172.925.1-33.6000109.2E204P202-E204 PolarHBondContact O-N 2.93Å; P202-E204 VanDerWaalsContact O-N 3.17Å
203F68.5Low58.3Low108 Ų108137.5 Ų137.547%0.47467%0.668SS.*PPolyproline II helixtrans-65.2117.1177167.6-100000109.2A51 D54 L201 R205A51-F203 HydrophobicContact CB-CD1 4.18Å; A51-F203 WeakPolarHBondContact CB-O 3.5Å; D54-F203 HydrophobicContact CB-CD1 4.44Å; D54-F203 HydrophobicContact CB-CE1 3.82Å; L201-F203 PolarHBondContact O-N 3.03Å; F203-R205 HydrophobicContact CE1-CB 4.3Å
204E71.8Confident56.9Low151 Ų151141.6 Ų141.671%0.70668%0.676SS**  trans-105.8118177.6-172.6-178.5-146.700109.7P202 K206P202-E204 PolarHBondContact O-N 2.93Å; P202-E204 VanDerWaalsContact O-N 3.17Å; E204-K206 PolarHBondContact O-N 3.31Å
205R71.5Confident55.4Low64 Ų64141.1 Ų141.124%0.24267%0.674CS.*  trans-69.1113.1177.2172.5179.2-91.9-128.1-10109.8S8 D54 F203S8-R205 VanDerWaalsContact C-NH1 3.33Å; S8-R205 VanDerWaalsContact CB-NH2 3.3Å; S8-R205 PolarHBondContact O-NH1 3.25Å; D54-R205 VanDerWaalsContact CG-NH2 3.27Å; D54-R205 IonicContact OD1-CZ 2.67Å; D54-R205 IonicContact OD1-NE 3.98Å; D54-R205 IonicContact OD1-NH2 3.83Å; D54-R205 PolarHBondContact OD1-NH2 3.49Å; D54-R205 IonicContact OD2-CZ 3.53Å; D54-R205 VanDerWaalsContact OD2-CZ 3.3Å; D54-R205 IonicContact OD2-NE 3.29Å; D54-R205 PolarHBondContact OD2-NE 2.99Å; D54-R205 IonicContact OD2-NH2 2.79Å; D54-R205 PolarHBondContact OD2-NH2 3.25Å; F203-R205 HydrophobicContact CE1-CB 4.3Å
206K74.6Confident54Low139 Ų139140.4 Ų140.460%0.60467%0.673SS**  trans-89.6111.9175.1-63.7-165.4176.8-165.50111.1E204 Y208E204-K206 PolarHBondContact O-N 3.31Å; K206-Y208 HydrophobicContact CB-CD2 4.04Å; K206-Y208 HydrophobicContact CB-CE2 3.54Å; K206-Y208 HydrophobicContact CD-CE2 4.31Å; K206-Y208 WeakPolarHBondContact O-CD2 3.27Å; K206-Y208 PolarHBondContact O-N 3.2Å; K206-Y208 VanDerWaalsContact O-N 3.13Å
207H60.2Low53.2Low145 Ų145143 Ų14367%0.67169%0.685SS**  trans-7499.7172.5-70.1-103000109.9
208Y58.5Low52.4Low181 Ų181140.2 Ų140.271%0.7168%0.675SS**  trans-94135.7167.2-69.6-78.5000109.5K206K206-Y208 HydrophobicContact CB-CD2 4.04Å; K206-Y208 HydrophobicContact CB-CE2 3.54Å; K206-Y208 HydrophobicContact CD-CE2 4.31Å; K206-Y208 WeakPolarHBondContact O-CD2 3.27Å; K206-Y208 PolarHBondContact O-N 3.2Å; K206-Y208 VanDerWaalsContact O-N 3.13Å
209P45.6Very low51.6Low108 Ų108136.8 Ų136.870%0.70166%0.662SS**  trans-55.4144167.8-2434.3000110.8Q211P209-Q211 PolarHBondContact O-N 3.48Å
210S47.3Very low50.4Low101 Ų101132.1 Ų132.171%0.70665%0.652SS**  trans-74.545.7-172.649.10000114.6Y212S210-Y212 VanDerWaalsContact C-N 3.28Å; S210-Y212 VanDerWaalsContact O-CD2 3.31Å; S210-Y212 WeakPolarHBondContact O-CD2 3.32Å; S210-Y212 PolarHBondContact O-N 3.21Å
211Q44Very low49.6Very low174 Ų174129.1 Ų129.181%0.81363%0.63SS**  trans-72.785.1164.8-66.8-169.49.200109.4P209 H213P209-Q211 PolarHBondContact O-N 3.48Å; Q211-H213 VanDerWaalsContact C-N 3.28Å; Q211-H213 PolarHBondContact O-N 2.85Å
212Y41.4Very low48.4Very low208 Ų208127.3 Ų127.382%0.81662%0.621SS**  trans-62.383.1175.6-78.9-90000111.5S210 E214S210-Y212 VanDerWaalsContact C-N 3.28Å; S210-Y212 VanDerWaalsContact O-CD2 3.31Å; S210-Y212 WeakPolarHBondContact O-CD2 3.32Å; S210-Y212 PolarHBondContact O-N 3.21Å; Y212-E214 VanDerWaalsContact C-N 3.3Å; Y212-E214 PolarHBondContact O-N 2.91Å
213H36.2Very low47.5Very low112 Ų112125.9 Ų125.952%0.51961%0.606SS.*  trans-77.285174.1-135.154.1000109.4Q211 R215 Q216Q211-H213 VanDerWaalsContact C-N 3.28Å; Q211-H213 PolarHBondContact O-N 2.85Å; H213-R215 PolarHBondContact NE2-NH2 2.84Å; H213-R215 PolarHBondContact O-N 3.32Å; H213-Q216 PolarHBondContact O-N 3.45Å
214E41.3Very low46.1Very low127 Ų127126.3 Ų126.359%0.59361%0.613SS**G310 helixtrans-44.8-29.8-172.7-160-153127.900114.5Y212 Q216 C217 R218Y212-E214 VanDerWaalsContact C-N 3.3Å; Y212-E214 PolarHBondContact O-N 2.91Å; E214-Q216 PolarHBondContact O-N 3.45Å; E214-Q216 VanDerWaalsContact O-N 3.17Å; E214-C217 PolarHBondContact O-N 3.38Å; E214-R218 IonicContact OE1-CZ 3.79Å; E214-R218 IonicContact OE1-NE 3.67Å; E214-R218 PolarHBondContact OE1-NE 2.99Å; E214-R218 IonicContact OE1-NH2 3.71Å; E214-R218 PolarHBondContact OE1-NH2 3Å
215R37.8Very low44.5Very low202 Ų202120.9 Ų120.976%0.76259%0.591SS**G310 helixtrans-59.8-20.2175.5-65.5-171.2-74.8-161.2-2114.5H213H213-R215 PolarHBondContact NE2-NH2 2.84Å; H213-R215 PolarHBondContact O-N 3.32Å
216Q36.9Very low43.2Very low143 Ų143120.5 Ų120.567%0.66859%0.594SS**G310 helixtrans-95.1-15.7-178.8-163.3159.8-6.600113.7H213 E214H213-Q216 PolarHBondContact O-N 3.45Å; E214-Q216 PolarHBondContact O-N 3.45Å; E214-Q216 VanDerWaalsContact O-N 3.17Å
217C34.8Very low41.6Very low83 Ų83117.1 Ų117.156%0.56159%0.585SS**  trans-104.110.5-176.3-64.90000114.5E214 S219 S220E214-C217 PolarHBondContact O-N 3.38Å; C217-S219 PolarHBondContact O-N 3.26Å; C217-S220 PolarHBondContact O-N 3.37Å
218R34.3Very low40.8Very low199 Ų199113.5 Ų113.575%0.75158%0.576SS**THydrogen-bonded Turntrans-65.33.1176.6-74-76.1173.6160.8-4.4115E214E214-R218 IonicContact OE1-CZ 3.79Å; E214-R218 IonicContact OE1-NE 3.67Å; E214-R218 PolarHBondContact OE1-NE 2.99Å; E214-R218 IonicContact OE1-NH2 3.71Å; E214-R218 PolarHBondContact OE1-NH2 3Å
219S38.1Very low40.1Very low62 Ų62109.7 Ų109.743%0.43456%0.563SS.*THydrogen-bonded Turntrans-85.7-20.1173.942.70000114.5R70 C217R70-S219 PolarHBondContact NH1-O 2.95Å; C217-S219 PolarHBondContact O-N 3.26Å
220S32Very low40.1Very low83 Ų83107.2 Ų107.258%0.5854%0.542SS*.SBendtrans-133.9123.3178.4-65.90000110.7C217C217-S220 PolarHBondContact O-N 3.37Å
221P40.2Very low40Very low64 Ų64106 Ų10642%0.41653%0.531SS..  trans-64.3148.3160.530.5-33.1000109L223P221-L223 PolarHBondContact O-N 3.02Å
222D38.4Very low40.1Very low100 Ų100102 Ų10254%0.53551%0.512SS..  trans-70.299.1177177.15.6000109.8L224 S225 D226D222-L224 PolarHBondContact O-N 3.26Å; D222-L224 PolarHBondContact OD1-N 3.07Å; D222-L224 VanDerWaalsContact OD1-N 3.09Å; D222-S225 PolarHBondContact O-N 3.42Å; D222-S225 PolarHBondContact O-OG 2.59Å; D222-S225 PolarHBondContact OD1-N 2.84Å; D222-D226 PolarHBondContact O-N 2.76Å
223L44.6Very low40.2Very low89 Ų8996.9 Ų96.947%0.46650%0.499SS..Hα-helixtrans-58.9-29.3-176.2-62.9176.8000112.6P221 V227P221-L223 PolarHBondContact O-N 3.02Å; L223-V227 VanDerWaalsContact O-CB 3.27Å; L223-V227 WeakPolarHBondContact O-CB 3.32Å; L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 2.86Å
224L37.9Very low40.6Very low118 Ų11896.6 Ų96.662%0.61850%0.5SS*.Hα-helixtrans-73-42.1176.5-63.9177.5000110.2D222 S228D222-L224 PolarHBondContact O-N 3.26Å; D222-L224 PolarHBondContact OD1-N 3.07Å; D222-L224 VanDerWaalsContact OD1-N 3.09Å; L224-S228 WeakPolarHBondContact O-CB 3.34Å; L224-S228 PolarHBondContact O-N 2.71Å
225S39.4Very low40.8Very low36 Ų3698.2 Ų98.225%0.25250%0.501SS..Hα-helixtrans-65.1-40.8175.587.80000112.7D222 K229D222-S225 PolarHBondContact O-N 3.42Å; D222-S225 PolarHBondContact O-OG 2.59Å; D222-S225 PolarHBondContact OD1-N 2.84Å; S225-K229 VanDerWaalsContact O-CE 3.28Å; S225-K229 WeakPolarHBondContact O-CE 3.22Å; S225-K229 VanDerWaalsContact O-CG 3.27Å; S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 2.96Å; S225-K229 PolarHBondContact OG-NZ 3.5Å
226D43.1Very low41.4Very low57 Ų5795.3 Ų95.331%0.30550%0.5SS..Hα-helixtrans-79.8-32.6-176.4-78.1-10.1000112.7D222 K229 Q230D222-D226 PolarHBondContact O-N 2.76Å; D226-K229 IonicContact OD1-NZ 3.43Å; D226-K229 PolarHBondContact OD1-NZ 2.92Å; D226-Q230 WeakPolarHBondContact O-CB 3.33Å; D226-Q230 VanDerWaalsContact O-CG 3.29Å; D226-Q230 WeakPolarHBondContact O-CG 3.49Å; D226-Q230 PolarHBondContact O-N 3.45Å
227V42.3Very low41.6Very low68 Ų6892.2 Ų92.241%0.41250%0.499SS..Hα-helixtrans-68.6-37.3169.3171.30000110.8L223 Q230 V231L223-V227 VanDerWaalsContact O-CB 3.27Å; L223-V227 WeakPolarHBondContact O-CB 3.32Å; L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 2.86Å; V227-Q230 PolarHBondContact O-N 2.87Å; V227-V231 WeakPolarHBondContact O-CG2 3.44Å; V227-V231 PolarHBondContact O-N 2.88Å; V227-V231 VanDerWaalsContact O-N 3.08Å
228S42.2Very low42.1Very low69 Ų6997.9 Ų97.948%0.48351%0.509SS..Hα-helixtrans-62.9-44.8174-171.30000111.8L224 V231 E232L224-S228 WeakPolarHBondContact O-CB 3.34Å; L224-S228 PolarHBondContact O-N 2.71Å; S228-V231 PolarHBondContact O-N 2.94Å; S228-E232 PolarHBondContact O-N 3.16Å; S228-E232 VanDerWaalsContact O-N 3.14Å
229K44.4Very low42.3Very low100 Ų10091.1 Ų91.144%0.43550%0.502SS..Hα-helixtrans-59.9-46.5172.1-71164-140.5151.90112S225 D226 V231 E232 D233S225-K229 VanDerWaalsContact O-CE 3.28Å; S225-K229 WeakPolarHBondContact O-CE 3.22Å; S225-K229 VanDerWaalsContact O-CG 3.27Å; S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 2.96Å; S225-K229 PolarHBondContact OG-NZ 3.5Å; D226-K229 IonicContact OD1-NZ 3.43Å; D226-K229 PolarHBondContact OD1-NZ 2.92Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 2.93Å; K229-E232 CarbonylContact O-C 3.56Å; K229-E232 PolarHBondContact O-N 2.79Å; K229-D233 WeakPolarHBondContact O-CB 3.3Å; K229-D233 VanDerWaalsContact O-CG 3.3Å; K229-D233 PolarHBondContact O-N 3.03Å
230Q45.9Very low42.1Very low57 Ų5792.3 Ų92.327%0.26652%0.524SS..Hα-helixtrans-60.5-34.4179.3-76.6175.517.200113.3D226 V227 L234D226-Q230 WeakPolarHBondContact O-CB 3.33Å; D226-Q230 VanDerWaalsContact O-CG 3.29Å; D226-Q230 WeakPolarHBondContact O-CG 3.49Å; D226-Q230 PolarHBondContact O-N 3.45Å; V227-Q230 PolarHBondContact O-N 2.87Å; Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.21Å; Q230-L234 WeakPolarHBondContact O-CD1 3.02Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 2.91Å
231V45.3Very low42.1Very low76 Ų7691.1 Ų91.146%0.46153%0.525SS..Hα-helixtrans-68.1-41.8173.5169.20000111.5V227 S228 K229 L234 R235V227-V231 WeakPolarHBondContact O-CG2 3.44Å; V227-V231 PolarHBondContact O-N 2.88Å; V227-V231 VanDerWaalsContact O-N 3.08Å; S228-V231 PolarHBondContact O-N 2.94Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 2.93Å; V231-L234 PolarHBondContact O-N 2.78Å; V231-R235 PolarHBondContact O-N 3.02Å
232E45.6Very low41.7Very low90 Ų9098.9 Ų98.942%0.42155%0.548SS..Hα-helixtrans-76.3-34.4-179.8-124.370.7121.900112.7S228 K229 L234 R235 L236S228-E232 PolarHBondContact O-N 3.16Å; S228-E232 VanDerWaalsContact O-N 3.14Å; K229-E232 CarbonylContact O-C 3.56Å; K229-E232 PolarHBondContact O-N 2.79Å; E232-L234 VanDerWaalsContact C-N 3.35Å; E232-R235 CarbonylContact O-C 3.49Å; E232-R235 WeakPolarHBondContact O-CB 3.3Å; E232-R235 PolarHBondContact O-N 2.75Å; E232-R235 VanDerWaalsContact O-N 3.16Å; E232-R235 IonicContact OE1-NH1 3.12Å; E232-R235 WeakPolarHBondContact OE2-CD 3.47Å; E232-R235 IonicContact OE2-CZ 2.69Å; E232-R235 IonicContact OE2-NE 2.7Å; E232-R235 IonicContact OE2-NH1 3.64Å; E232-R235 PolarHBondContact OE2-NH1 2.98Å; E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 2.8Å
233D43.6Very low41.3Very low100 Ų100105.2 Ų105.254%0.53557%0.566SS.*Hα-helixtrans-63.7-39.2169.8-71.7-29.7000111K229 R235 L236 A237K229-D233 WeakPolarHBondContact O-CB 3.3Å; K229-D233 VanDerWaalsContact O-CG 3.3Å; K229-D233 PolarHBondContact O-N 3.03Å; D233-R235 VanDerWaalsContact C-N 3.34Å; D233-L236 PolarHBondContact O-N 2.79Å; D233-A237 VanDerWaalsContact O-CB 3.26Å; D233-A237 WeakPolarHBondContact O-CB 3.18Å; D233-A237 PolarHBondContact O-N 2.79Å
234L45.6Very low40.7Very low105 Ų105109.3 Ų109.355%0.5558%0.582SS.*Hα-helixtrans-64.2-37.2171.2-88.9162.7000112Q230 V231 E232 Y238Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.21Å; Q230-L234 WeakPolarHBondContact O-CD1 3.02Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 2.91Å; V231-L234 PolarHBondContact O-N 2.78Å; E232-L234 VanDerWaalsContact C-N 3.35Å; L234-Y238 HydrophobicContact CD2-CD2 4.19Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 WeakPolarHBondContact O-CD2 3.32Å; L234-Y238 PolarHBondContact O-N 3.37Å
235R45.2Very low40.3Very low162 Ų162111.6 Ų111.661%0.61160%0.595SS**Hα-helixtrans-67.2-40.4172.2-87.7162.5151.4176.9-5.7112.5V231 E232 D233 G239V231-R235 PolarHBondContact O-N 3.02Å; E232-R235 CarbonylContact O-C 3.49Å; E232-R235 WeakPolarHBondContact O-CB 3.3Å; E232-R235 PolarHBondContact O-N 2.75Å; E232-R235 VanDerWaalsContact O-N 3.16Å; E232-R235 IonicContact OE1-NH1 3.12Å; E232-R235 WeakPolarHBondContact OE2-CD 3.47Å; E232-R235 IonicContact OE2-CZ 2.69Å; E232-R235 IonicContact OE2-NE 2.7Å; E232-R235 IonicContact OE2-NH1 3.64Å; E232-R235 PolarHBondContact OE2-NH1 2.98Å; D233-R235 VanDerWaalsContact C-N 3.34Å; R235-G239 WeakPolarHBondContact O-CA 3.31Å; R235-G239 PolarHBondContact O-N 3.08Å
236L48.7Very low39.8Very low141 Ų141114.9 Ų114.974%0.73861%0.614SS**Hα-helixtrans-69.5-34177-70168000112.1E232 D233E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 2.8Å; D233-L236 PolarHBondContact O-N 2.79Å
237A42.4Very low39.4Very low78 Ų78120 Ų12065%0.64564%0.641SS**Hα-helixtrans-74.2-24.7178.200000114.4D233D233-A237 VanDerWaalsContact O-CB 3.26Å; D233-A237 WeakPolarHBondContact O-CB 3.18Å; D233-A237 PolarHBondContact O-N 2.79Å
238Y44.6Very low38.7Very low201 Ų201119.8 Ų119.879%0.78865%0.653SS**Hα-helixtrans-117.6-7-178.6-72.5-86.4000114.5L234 G240L234-Y238 HydrophobicContact CD2-CD2 4.19Å; L234-Y238 HydrophobicContact CD2-CE2 3.99Å; L234-Y238 WeakPolarHBondContact O-CD2 3.32Å; L234-Y238 PolarHBondContact O-N 3.37Å; Y238-G240 PolarHBondContact O-N 3.41Å
239G37.9Very low38.1Very low58 Ų58122.5 Ų122.560%0.59867%0.666SS**  trans-96.545.6-173.300000115.1R235 G241R235-G239 WeakPolarHBondContact O-CA 3.31Å; R235-G239 PolarHBondContact O-N 3.08Å; G239-G241 PolarHBondContact O-N 3.22Å; G239-G241 VanDerWaalsContact O-N 3.13Å
240G33.9Very low37.5Very low86 Ų86126.5 Ų126.589%0.88769%0.686SS**  trans-78.686.1176.200000112.8Y238Y238-G240 PolarHBondContact O-N 3.41Å
241G32.3Very low36.7Very low59 Ų59128.2 Ų128.261%0.60871%0.71SS**  trans-176.3106.4177.400000115.8G239G239-G241 PolarHBondContact O-N 3.22Å; G239-G241 VanDerWaalsContact O-N 3.13Å
242Y31.6Very low36.1Very low227 Ų227129.8 Ų129.889%0.8973%0.725SS**  trans-6.5125.2165.3-63.4-91.5000119.3
243Y30.3Very low35.4Very low232 Ų232133.7 Ų133.791%0.9174%0.743SS**  trans-128.1131.1140.7-87.7-83.8000110.6
244Q32.7Very low35.1Very low175 Ų175135 Ų13582%0.81876%0.757SS**  trans-96.8100.5-174.9-176178.61500109.2V246Q244-V246 HydrophobicContact CG-CG2 4.33Å
245N28.6Very low34.4Very low167 Ų167135.9 Ų135.989%0.89377%0.766SS**  trans-75126.9175.8-87.1-21.2000110.9
246V30.6Very low33.9Very low105 Ų105135.7 Ų135.764%0.63678%0.777SS**  trans-120.8110.2-179.2-178.40000109.5Q244Q244-V246 HydrophobicContact CG-CG2 4.33Å
247N32.9Very low32.9Very low163 Ų163138.4 Ų138.487%0.87279%0.785SS**  trans61132167.5-54.5-20.7000117.7
248G28.9Very low32.3Very low65 Ų65139.4 Ų139.467%0.6779%0.788SS**  cis159.3175.1-8.500000113
249V29.2Very low31.7Very low126 Ų126140.9 Ų140.976%0.76479%0.792SS**  trans65.7104.1156.7-173.30000115.4
250H31.1Very low31.4Very low183 Ų183147.5 Ų147.585%0.84780%0.799SS**  -155.3-179.865.2-97.2-60.8000114.3
251A29.7Very low31.4Very low94 Ų94154.2 Ų154.278%0.77780%0.798SS**  trans-47.2162.2-179.100000116.6
252S33Very low31.4Very low109 Ų109157 Ų15776%0.76280%0.798SS**  cis-153.4150.431.356.90000116.5
253E30.9Very low31.4Very low171 Ų171151.8 Ų151.880%0.79980%0.795SS**  trans-72163.6161.4-66.2-172.1126.600112.7
254P37.3Very low31.3Very low129 Ų129145.3 Ų145.384%0.83879%0.789SS**  trans-120.9147.7131.535.6-31.2000113.3
255V30.3Very low31Very low123 Ų123144.7 Ų144.775%0.74579%0.791SS**  trans-74.4149.1-169.9171.60000114
256L34.7Very low31Very low158 Ų158144.8 Ų144.883%0.82779%0.786SS**  trans-16.5142.3159-56.4165.4000117.7
257E27.4Very low30.9Very low197 Ų197146.2 Ų146.292%0.92180%0.795SS**  -130141.4127.5-162.5-178.9-135.100109.6
258S31.1Very low30.6Very low99 Ų99143 Ų14369%0.69278%0.781SS**  trans-112.9136.3-178.4103.40000111.4
259R32Very low30.4Very low233 Ų233149.6 Ų149.688%0.87979%0.792SS**  trans-13477.2160-154.5172.5-167.3-170.35.3114
260R31.9Very low30.3Very low197 Ų197148 Ų14874%0.74379%0.791SS**  trans-44.6135.8163.9-171.6-170.2-157.5-158.19.8113N262R260-N262 WeakPolarHBondContact CG-OD1 3.16Å
261R33.4Very low30.3Very low227 Ų227144.9 Ų144.986%0.85779%0.786SS**  trans-159.2147.4140.4-108.3-170.2-63.6175.53.1109.5
262N31.2Very low30.2Very low117 Ų117148.5 Ų148.563%0.62679%0.786SS**  trans-121.2145.6-160.2-45.3-17.1000112.4R260R260-N262 WeakPolarHBondContact CG-OD1 3.16Å
263S33.2Very low29.9Very low118 Ų118150.5 Ų150.583%0.82579%0.788SS**  trans-170.187.8153.154.20000107.4
264A26.7Very low29.8Very low95 Ų95150 Ų15079%0.78579%0.786SS**  70.993.157.700000113.5
265L27.8Very low29.2Very low162 Ų162151.7 Ų151.785%0.84878%0.782SS**  trans-160.5107.9145.1-138.3163.1000108.7V267L265-V267 HydrophobicContact CD2-CG2 4.37Å
266E28Very low29Very low169 Ų169151.7 Ų151.779%0.7979%0.787SS**  trans-92.4148.8172.1-69.9177.4103.700110.5
267V28.6Very low28.8Very low136 Ų136151.9 Ų151.982%0.82478%0.781SS**  trans-136.4116.7157.5-1780000107.5L265L265-V267 HydrophobicContact CD2-CG2 4.37Å
268T25.9Very low29.4Very low96 Ų96147.4 Ų147.459%0.58977%0.769SS**  trans-114.4-166.2-179.136.80000111.1
269F25.8Very low29.2Very low202 Ų202149.2 Ų149.289%0.88677%0.767SS**  trans80.2102.9-166.8-47.5-63000113
270A27.1Very low29Very low92 Ų92142.6 Ų142.676%0.7676%0.762SS**  cis91.2119.121.500000116.5
271T31Very low29Very low118 Ų118140.8 Ų140.872%0.72477%0.767SS**  trans-163.2118.2153.124.60000106.3
272E27.5Very low29.1Very low170 Ų170135.4 Ų135.479%0.79476%0.762SS**  76.2116.1102.9-69.2175.1167.400114
273L25.6Very low29Very low151 Ų151136.8 Ų136.879%0.79177%0.774SS**  72136.188.7-11571.3000112.2
274E28.3Very low28.8Very low161 Ų161138.6 Ų138.675%0.75277%0.774SS**  cis-140.6179.825.1-73-169.3114.800115.7
275H26Very low28.8Very low165 Ų165141 Ų14176%0.76477%0.773SS**  trans-33.1149.3171.8-57.8-67.7000118.1
276S26.2Very low28.9Very low122 Ų122140.9 Ų140.985%0.85377%0.768SS**  -172.9160.677.942.30000116.4
277K29.9Very low29Very low162 Ų162142.1 Ų142.170%0.70477%0.774SS**  trans-147.4165.5166.9-132.5-150.9164.4-154.10105.5E279K277-E279 WeakPolarHBondContact CE-OE2 3.41Å; K277-E279 IonicContact NZ-OE1 2.71Å; K277-E279 PolarHBondContact NZ-OE1 2.78Å; K277-E279 IonicContact NZ-OE2 2.67Å; K277-E279 PolarHBondContact NZ-OE2 3.41Å
278P39.6Very low28.9Very low103 Ų103141 Ų14167%0.66977%0.772SS**  cis-135.5-155.82.249.3-31.4000111.8
279E26.7Very low29.1Very low137 Ų137145.2 Ų145.264%0.6479%0.785SS**  cis-155.1150.9-11-154.961.991.100108.9K277K277-E279 WeakPolarHBondContact CE-OE2 3.41Å; K277-E279 IonicContact NZ-OE1 2.71Å; K277-E279 PolarHBondContact NZ-OE1 2.78Å; K277-E279 IonicContact NZ-OE2 2.67Å; K277-E279 PolarHBondContact NZ-OE2 3.41Å
280A28.7Very low29.2Very low95 Ų95141.1 Ų141.179%0.78578%0.782SS**  trans-167.7134.7157.300000112.3
281D31.6Very low29.2Very low159 Ų159142.1 Ų142.185%0.8578%0.783SS**PPolyproline II helixtrans-91158173.9-100.7-43.1000112.8
282P35.7Very low29Very low113 Ų113142.7 Ų142.773%0.73479%0.792SS**PPolyproline II helixtrans-86.3134.1-17133.3-34.5000114.2
283T30Very low29Very low146 Ų146138.8 Ų138.890%0.89678%0.783SS**PPolyproline II helixtrans-76.9140.2164.832.20000112.1
284L28.4Very low29Very low156 Ų156141.4 Ų141.482%0.81779%0.788SS**PPolyproline II helixtrans-80.3173.7-179.4-74.2161000113.3
285L27.5Very low29.2Very low145 Ų145138.6 Ų138.676%0.75978%0.784SS**  trans80.6150.8168.1-46172.8000115
286H28.2Very low29.2Very low160 Ų160141 Ų14174%0.74179%0.793SS**  cis-127.8149.34.7-102.7-73.5000112.6
287Q31.3Very low29.2Very low195 Ų195142.4 Ų142.491%0.91179%0.789SS**  trans-89125.5165.4-164.817731.800108.9
288S26.5Very low29.2Very low114 Ų114143.5 Ų143.580%0.79779%0.79SS**  trans-133.2152-179.1-79.80000112.2
289Q29.4Very low28.6Very low183 Ų183146.6 Ų146.686%0.85580%0.798SS**  trans-99.4143.4-167-59.9172.2-8.400113.2
290S27.2Very low28.7Very low117 Ų117145.4 Ų145.482%0.81880%0.796SS**  trans-154.2118.1147.8-82.10000106.7
291S28.1Very low29.2Very low113 Ų113146 Ų14679%0.7979%0.791SS**  71.688.751.7-54.40000112.2
292S26.6Very low29.3Very low130 Ų130144.9 Ų144.991%0.90979%0.79SS**  trans-147.8130.7164.3-175.80000109
293S27Very low29Very low87 Ų87147.7 Ų147.761%0.60879%0.791SS**  trans-139143.9-177.957.50000108.9
294F27.2Very low28.9Very low206 Ų206147.6 Ų147.690%0.90479%0.785SS**  trans-176.5162.9133.8-86.9-46000109.3
295P30.8Very low29Very low102 Ų102146.5 Ų146.566%0.66279%0.785SS**  trans-101.3162.6-143.238.2-36.7000114.7
296F26.3Very low29.3Very low217 Ų217147.7 Ų147.795%0.95279%0.787SS**  trans-129.5141.5152.8-104.1-91.3000109.9
297I27.4Very low29.8Very low150 Ų150145.8 Ų145.877%0.76979%0.788SS**  trans-76.9134.4-175.7-58.8-62.2000110.3
298Y28.3Very low29.9Very low186 Ų186143.9 Ų143.973%0.72979%0.785SS**  trans-105.1131.3164.5-169.6-103.7000108.8D300Y298-D300 HydrophobicContact CD1-CB 4.02Å; Y298-D300 HydrophobicContact CE1-CB 3.67Å
299M28Very low30.8Very low168 Ų168144 Ų14483%0.82878%0.782SS**  trans-103.2128.8163.6-85.1-157.971.600108.6
300D29.4Very low30.9Very low112 Ų112142.9 Ų142.960%0.59978%0.783SS**  trans-115.9132.1175.6-153.119.4000108.9Y298Y298-D300 HydrophobicContact CD1-CB 4.02Å; Y298-D300 HydrophobicContact CE1-CB 3.67Å
301P39.4Very low31.8Very low106 Ų106142.8 Ų142.869%0.68878%0.779SS**  trans-95.9129.7-179.534.3-30.2000112.2
302V31.6Very low31.9Very low136 Ų136144.5 Ų144.582%0.82478%0.779SS**  trans-128.8141.5167.7-176.50000109.2
303F29.7Very low33.2Very low173 Ų173142.9 Ų142.976%0.75977%0.766SS**  trans-98.3149.4-169.7-91.8-94.8000113.9
304N27.8Very low33.3Very low143 Ų143148.3 Ų148.377%0.76577%0.773SS**  trans67.3140.5160.8-51.5-21.4000115.8
305T31.2Very low33.4Very low133 Ų133143.4 Ų143.482%0.81676%0.756SS**  cis-143.5177.530.8-59.10000111.9
306E33Very low33.4Very low170 Ų170145.4 Ų145.479%0.79476%0.76SS**  trans-53.8153.7-171.3-53.9-176.1160.200118.3
307P38.7Very low33.6Very low120 Ų120144.4 Ų144.478%0.77976%0.755SS**  trans-109.7138.6156.436.7-26.5000112.9
308N34.7Very low33.7Very low156 Ų156142.2 Ų142.283%0.83475%0.754SS**  trans-140105.5172.5-163.8-6.5000109.7
309P44.4Very low33.6Very low115 Ų115140.1 Ų140.175%0.74775%0.75SS**  trans-127.2142.9179.937.7-24.3000115.2
310N32.7Very low33.6Very low161 Ų161141.5 Ų141.586%0.86175%0.746SS**  trans-163.7151166-139.8-3.1000107.2
311P45.1Very low33.6Very low114 Ų114140.9 Ų140.974%0.7475%0.751SS**  cis-124.9-173.2-1041.9-26.1000113.5
312D31.5Very low33Very low149 Ų149140.7 Ų140.780%0.79775%0.752SS**  trans-92.7-178.5170-144.210.4000110.4
313P53.7Low32.9Very low96 Ų96142.3 Ų142.362%0.62376%0.755SS**  cis-128.5-177.4-28.134.6-17.2000113.2
314R28.8Very low32.7Very low202 Ų202139.2 Ų139.276%0.76276%0.755SS**  trans160.1153.9131.5-84.9-82.7-72-80.8-14.8115.4
315D28.9Very low32.8Very low102 Ų102135.8 Ų135.855%0.54574%0.742SS.*  trans49.2112.2156.6-51.1-22.5000118.5
316I30.5Very low32.7Very low144 Ų144139.2 Ų139.274%0.73875%0.746SS**  84.3132.250.8-58.7166.9000114.4
317F30.5Very low32.6Very low196 Ų196139.7 Ų139.786%0.8675%0.749SS**  trans92.6137.6166.1-91.9-64.8000122.8
318S28.9Very low32.1Very low105 Ų105140.9 Ų140.973%0.73475%0.754SS**  trans69.6166.7154.3-58.90000120.3
319E27.1Very low31.6Very low142 Ų142138.5 Ų138.566%0.66475%0.749SS**  -164.4155.5-55.7-146.9-158.3149.200107.7
320R28.5Very low31Very low196 Ų196139.2 Ų139.274%0.7476%0.756SS**  trans63.2117.7158.7-70.8-177.8-161.1-176.515.2123.4
321S29.1Very low30.8Very low99 Ų99141 Ų14169%0.69276%0.756SS**  72.899.7114.6-51.80000123.6
322S27.6Very low30Very low102 Ų102145.7 Ų145.771%0.71377%0.765SS**  69.5138.611574.10000123.9
323L29.1Very low30.1Very low170 Ų170143.9 Ų143.989%0.8976%0.764SS**  trans73.9117.8159.5-59.9173.2000119.4
324S25.6Very low28.9Very low109 Ų109142.6 Ų142.676%0.76277%0.768SS**  177.5168.2101.2-163.10000112.9
325S28.5Very low29.1Very low71 Ų71140.9 Ų140.950%0.49777%0.774SS.*  trans0.5143.9154.257.50000119.3
326F30.3Very low29.1Very low204 Ų204145.6 Ų145.690%0.89579%0.792SS**  -15416367.8-87.3-74.7000116.2
327Q29.9Very low29.3Very low181 Ų181146.4 Ų146.485%0.84680%0.795SS**  trans-108.5130.7177.3176.9-172.428.600109.8
328T28.1Very low29.3Very low145 Ų145141.7 Ų141.789%0.8979%0.786SS**  trans-132.7155.1161.248.50000110.2
329S25.6Very low29.4Very low105 Ų105143.3 Ų143.373%0.73479%0.785SS**  trans-123.3149.4-171.165.80000111.4
330C30.7Very low29.5Very low131 Ų131147.3 Ų147.389%0.88580%0.796SS**  trans-127.2145.6147.368.30000108.6
331K28.7Very low29.6Very low199 Ų199143.5 Ų143.587%0.86580%0.799SS**  trans-110.8131.2176.3-67.2179.5179.6177.50108.1
332F28.6Very low29.6Very low212 Ų212142.1 Ų142.193%0.9380%0.8SS**  trans-95156.3164.6-149.7-98.2000110.1
333S33.7Very low29.8Very low110 Ų110145.1 Ų145.177%0.76981%0.807SS**  trans-87.8132.6-161.8-166.40000115
334G28.8Very low29.9Very low69 Ų69142.9 Ų142.971%0.71180%0.801SS**  trans55.1100.2131.800000119.9
335N32.1Very low30Very low167 Ų167143.6 Ų143.689%0.89381%0.806SS**PPolyproline II helixtrans-82.7168165.8-82.7-16.9000113.3
336H30Very low30.1Very low201 Ų201149.5 Ų149.593%0.93182%0.823SS**PPolyproline II helixtrans-60.9166.1163.5-75.5-110.4000112.9
337M34.1Very low30Very low161 Ų161146.7 Ų146.779%0.79382%0.822SS**PPolyproline II helixtrans-99.8162.1-164.4-125.5-68.1161.500115.4
338S31.3Very low30Very low96 Ų96148.9 Ų148.967%0.67182%0.823SS**  trans62.2114.9166.644.40000117.1
339I29.3Very low30.2Very low140 Ų140148.3 Ų148.372%0.71882%0.821SS**  71.7114.260.7-63.1168.4000112.8
340Y29.9Very low30.4Very low226 Ų226148 Ų14889%0.88683%0.825SS**  -163.7156.2120.5-116.7-80.2000112.5
341S31.5Very low30.3Very low115 Ų115151.2 Ų151.280%0.80482%0.824SS**  trans-75.8167.6170.8-46.30000111.3
342G28.1Very low30.2Very low70 Ų70149.9 Ų149.972%0.72282%0.821SS**  cis159.7-154.93.700000110.6
343L31.8Very low30.2Very low165 Ų165147.9 Ų147.986%0.86482%0.819SS**  trans77.192.5166.7-159.168.8000119.9
344T30.9Very low29.8Very low123 Ų123147.5 Ų147.576%0.75581%0.812SS**  trans10.4136.214361.60000122.3
345S29Very low29.6Very low125 Ų125154.6 Ų154.687%0.87482%0.819SS**  trans-145154.2133.1-170.30000111.6
346K30.3Very low29.7Very low194 Ų194151.2 Ų151.284%0.84381%0.805SS**  trans-110.8134.4-179.6-59.5170.5-178.1170.20110.5
347V28.5Very low29.6Very low145 Ų145149.2 Ų149.288%0.87980%0.801SS**  trans-142.6150144.5-177.30000108.8
348R28.9Very low29.6Very low228 Ų228147.7 Ų147.786%0.8680%0.8SS**  trans-85.8147.7178.5-60.9166.1172.2153.1-7.1111.1
349P31.7Very low29.8Very low132 Ų132148.4 Ų148.486%0.85780%0.803SS**  trans-67.4145.4158.931-33.6000110.1
350A30.6Very low29.9Very low98 Ų98152.2 Ų152.281%0.8181%0.81SS**  trans-107.3140.2178.400000111.7Q352A350-Q352 PolarHBondContact O-N 3.18Å
351K29.6Very low30.2Very low200 Ų200147.9 Ų147.987%0.8780%0.8SS**  trans-4.6101.2170.5-64.2-178176.5-176.50117.8
352Q26.3Very low30.2Very low170 Ų170147.6 Ų147.679%0.79480%0.795SS**  11116.7112.4-176-179.512.900116A350A350-Q352 PolarHBondContact O-N 3.18Å
353L27.4Very low30.3Very low170 Ų170150.1 Ų150.189%0.8980%0.801SS**  trans-125.6123.6152.6-95.3170.6000109.2
354T25.7Very low30.5Very low103 Ų103149 Ų14963%0.63280%0.801SS**  trans-61.3139.8179.443.20000113.4
355Y25Very low30.6Very low218 Ų218146.7 Ų146.786%0.85580%0.802SS**  trans-102.7140.1139.3-169.4-95.6000107.5
356T34.2Very low30.6Very low96 Ų96150.3 Ų150.359%0.58981%0.805SS**  trans-105.5128.3-175.248.60000111
357D28.6Very low30.6Very low158 Ų158150 Ų15085%0.84581%0.806SS**  trans-61.7136.7173-59.1-69.3000111.7
358V33Very low30.8Very low130 Ų130149.7 Ų149.779%0.78881%0.805SS**  trans-115.3120.5169.3178.60000107.4
359P35.9Very low31.1Very low111 Ų111142.4 Ų142.472%0.72180%0.801SS**PPolyproline II helixtrans-74.8143-170.729.3-35.1000112.7
360Y30.1Very low31.2Very low220 Ų220144 Ų14486%0.86380%0.8SS**PPolyproline II helixtrans-71.7132.7171.5-179.3-95.3000110.9P362Y360-P362 WeakPolarHBondContact O-CD 3.46Å
361I36.8Very low31.3Very low134 Ų134146.5 Ų146.569%0.68780%0.797SS**PPolyproline II helixtrans-88.2121.1-174.5-60.2172.2000110.4
362P32.8Very low31.7Very low109 Ų109142.1 Ų142.171%0.70879%0.789SS**PPolyproline II helixtrans-85.3123.3169.132.9-30.6000110.7Y360 T364Y360-P362 WeakPolarHBondContact O-CD 3.46Å; P362-T364 PolarHBondContact O-N 3.26Å
363C29.5Very low32.1Very low124 Ų124140 Ų14084%0.83879%0.79SS**PPolyproline II helixtrans-75.1117.7171.6-670000111
364T35.2Very low32.2Very low140 Ų140139.5 Ų139.586%0.85978%0.783SS**PPolyproline II helixtrans-60.7150.515446.30000109.8P362P362-T364 PolarHBondContact O-N 3.26Å
365G32.8Very low32.4Very low76 Ų76140.8 Ų140.878%0.78479%0.791SS**  cis131.2125.2-0.800000111
366Q29.4Very low32.7Very low201 Ų201138.3 Ų138.394%0.93979%0.785SS**  trans-143.2130170.4-167.2164.9500110.3
367Q30.9Very low32.6Very low186 Ų186142.8 Ų142.887%0.86980%0.796SS**  trans-87.7140.4-175.4-61.5169-70.600111.8
368V32.8Very low32.7Very low140 Ų140145.8 Ų145.885%0.84880%0.797SS**  trans-137.6126134.5-1730000106.7
369G35Very low32.6Very low75 Ų75145.7 Ų145.777%0.77380%0.797SS**  trans-92138-177.100000112.8
370I34.3Very low32.3Very low165 Ų165146.7 Ų146.785%0.84680%0.796SS**  trans-136.7139.4171.1-56.9-177.6000108.6
371M31.3Very low32.4Very low151 Ų151145 Ų14574%0.74479%0.793SS**PPolyproline II helixtrans-64156176-91.9-179.258.800113P373M371-P373 WeakPolarHBondContact O-CD 3.29Å
372P38Very low32.8Very low107 Ų107144 Ų14470%0.69580%0.795SS**PPolyproline II helixtrans-68122.5164.729.5-32.8000110.3
373P35.1Very low32.9Very low127 Ų127145 Ų14583%0.82580%0.802SS**PPolyproline II helixtrans-75.4143.5175.230.8-33.6000111.2M371M371-P373 WeakPolarHBondContact O-CD 3.29Å
374Q29.5Very low32.8Very low158 Ų158147.6 Ų147.674%0.73880%0.802SS**PPolyproline II helixtrans-81.3152178.6-66.6167.2-14.300111.3F376Q374-F376 HydrophobicContact CB-CE2 4.39Å; Q374-F376 PolarHBondContact O-N 3.32Å
375V29.6Very low32.8Very low131 Ų131146.2 Ų146.279%0.79479%0.793SS**PPolyproline II helixtrans-74.1124.3175.1178.10000109.8
376F31.7Very low33.1Very low166 Ų166148.4 Ų148.473%0.72879%0.793SS**  trans-122.6133.4169-91.1-87000111.4Q374Q374-F376 HydrophobicContact CB-CE2 4.39Å; Q374-F376 PolarHBondContact O-N 3.32Å
377F31.5Very low33.3Very low190 Ų190149.8 Ų149.883%0.83379%0.79SS**  trans-77.7149.2170.9-66.8-102.4000110
378Y31.8Very low33.2Very low221 Ų221152.2 Ų152.287%0.86779%0.791SS**  trans-133.9147.6166.5-101.1-82.6000111.9
379V29.8Very low33.1Very low127 Ų127151 Ų15177%0.7779%0.789SS**  trans-132.8137.7-175.4171.10000109.1
380D30.7Very low33.4Very low132 Ų132152.3 Ų152.371%0.70678%0.784SS**  trans25.3132.1163.7-90.4-25.2000123.8
381K30.9Very low33.2Very low184 Ų184152 Ų15280%0.878%0.782SS**  trans89.8151.4139.7-74.3170.8-178.3169.50121.7
382P46.8Very low33.1Very low114 Ų114154.5 Ų154.574%0.7478%0.783SS**  trans-122173.4-165.243.8-30.5000115.1
383P33.7Very low32.7Very low131 Ų131153.9 Ų153.985%0.85179%0.787SS**  trans-121.5171.4153.137.2-26.1000113.2
384Q28.7Very low32.5Very low178 Ų178154.2 Ų154.283%0.83278%0.778SS**  trans-118.1146.1-179.4-80.1-16046.600113.8
385V35.1Very low32.5Very low111 Ų111153.4 Ų153.467%0.67377%0.774SS**  trans47131.4139.9-177.30000120
386P39.4Very low32.6Very low122 Ų122156.6 Ų156.679%0.79277%0.772SS**  -118.5151.1129.3-2.923.5000113.5
387R31.9Very low32.5Very low229 Ų229155.3 Ų155.386%0.86478%0.778SS**  trans-114.5123.9178.2173.7-144.1-79.9-166.7-5.7110.3
388W28.7Very low32.4Very low238 Ų238151.5 Ų151.590%0.90278%0.775SS**  trans-144.6138.1170-78.184.3000112.9
389S30.8Very low33.2Very low113 Ų113145.5 Ų145.579%0.7976%0.763SS**  trans-166.6133162.3550000110.6
390P43.1Very low33.2Very low103 Ų103147.7 Ų147.767%0.66977%0.765SS**  trans-150.8150.9140.934.6-16.3000116.5
391I28.3Very low33.2Very low159 Ų159146.1 Ų146.182%0.81576%0.764SS**  trans49.8104.2133.1-56.1172.4000117.2
392R29.3Very low33.3Very low203 Ų203148 Ų14877%0.76677%0.767SS**  80122.673.7-177.2-170.9178.6173.15.3115.4E394R392-E394 VanDerWaalsContact CG-OE2 3.22Å; R392-E394 WeakPolarHBondContact CG-OE2 3.18Å; R392-E394 IonicContact CZ-OE1 2.68Å; R392-E394 IonicContact CZ-OE2 2.64Å; R392-E394 IonicContact NE-OE1 3.46Å; R392-E394 PolarHBondContact NE-OE1 2.71Å; R392-E394 IonicContact NE-OE2 3.54Å; R392-E394 PolarHBondContact NE-OE2 2.92Å; R392-E394 IonicContact NH2-OE1 3.46Å; R392-E394 PolarHBondContact NH2-OE1 3.07Å; R392-E394 IonicContact NH2-OE2 3.14Å
393A29.7Very low32.7Very low94 Ų94148.5 Ų148.578%0.77777%0.768SS**  trans-158.6162.1160.200000111.4
394E31.8Very low32.7Very low135 Ų135149.2 Ų149.263%0.63176%0.76SS**  trans-127.5170.9-178.1-70.4103.899.200109.8R392R392-E394 VanDerWaalsContact CG-OE2 3.22Å; R392-E394 WeakPolarHBondContact CG-OE2 3.18Å; R392-E394 IonicContact CZ-OE1 2.68Å; R392-E394 IonicContact CZ-OE2 2.64Å; R392-E394 IonicContact NE-OE1 3.46Å; R392-E394 PolarHBondContact NE-OE1 2.71Å; R392-E394 IonicContact NE-OE2 3.54Å; R392-E394 PolarHBondContact NE-OE2 2.92Å; R392-E394 IonicContact NH2-OE1 3.46Å; R392-E394 PolarHBondContact NH2-OE1 3.07Å; R392-E394 IonicContact NH2-OE2 3.14Å
395E29.6Very low33.5Very low141 Ų141146 Ų14666%0.65975%0.754SS**  cis-161.3171.533.2-162-141.4134.100111.3
396R30.7Very low33.2Very low197 Ų197145.6 Ų145.674%0.74375%0.753SS**  trans74.7150.9167.4-52.5-169.4-176.2155.822.9118.4
397T30Very low33Very low139 Ų139144.1 Ų144.185%0.85375%0.75SS**  cis-144.8166.84.8-190000112.5
398S29.8Very low33.1Very low111 Ų111142 Ų14278%0.77675%0.753SS**  trans-88-173.1179.6-130.10000112.8
399P49.2Very low33.3Very low94 Ų94140.1 Ų140.161%0.6175%0.751SS**  cis-142.3-176.810.727.30.2000119.1
400H29.3Very low33.8Very low174 Ų174140.6 Ų140.681%0.80675%0.751SS**  trans82.3132.7165.7-54.2-67.9000117.8
401S31.1Very low33.1Very low98 Ų98140 Ų14069%0.68576%0.755SS**  cis-160.4142.8-3.4540000113.9
402Y32.7Very low33.3Very low225 Ų225141.5 Ų141.588%0.88276%0.758SS**  trans35.9127.4136.1-81.3-114.7000119
403V34.2Very low33.3Very low124 Ų124144 Ų14475%0.75277%0.768SS**  cis-151.1148.815.7176.30000111.2
404E32.3Very low33.4Very low145 Ų145144.8 Ų144.868%0.67877%0.767SS**  trans-117.3156.8156.4-146.7-161.1-14200108.5T406E404-T406 WeakPolarHBondContact OE2-CB 3.26Å; E404-T406 PolarHBondContact OE2-OG1 3.48Å
405P45.9Very low33.9Very low111 Ų111144.5 Ų144.572%0.72178%0.777SS**  -141139.791.735.2-19.4000114.8
406T29.8Very low34Very low103 Ų103148.5 Ų148.563%0.63279%0.786SS**  60128.473.3-11.20000115.9E404E404-T406 WeakPolarHBondContact OE2-CB 3.26Å; E404-T406 PolarHBondContact OE2-OG1 3.48Å
407A34.3Very low34Very low90 Ų90146.2 Ų146.274%0.74479%0.789SS**  trans179.7123.5130.700000115.8
408M35Very low34.2Very low186 Ų186147.9 Ų147.992%0.91679%0.791SS**  trans62.7114.1141-56.5-59.8-164.600123.4
409K33Very low34.2Very low198 Ų198153 Ų15386%0.86179%0.793SS**  trans-86.3163146.2-90.9-179.7178177.80109
410P39.8Very low33.4Very low122 Ų122157.2 Ų157.279%0.79281%0.807SS**  -158.2164.974.642.1-20.2000120.8
411A29.6Very low33.5Very low91 Ų91157.2 Ų157.275%0.75280%0.804SS**  trans52.4112.9141.500000123.8
412E31.6Very low33.4Very low191 Ų191156.9 Ų156.989%0.89380%0.802SS**  trans36.5125130.3-57.5-166.5146.200123.2
413R30Very low33.5Very low256 Ų256155.6 Ų155.697%0.96680%0.802SS**  -161.6147.4126.4-109.8166.3-176.1170.41.9111.1
414S30.6Very low33.6Very low109 Ų109157.1 Ų157.176%0.76280%0.8SS**  trans-104.1160.1164.972.80000110.4
415P43.1Very low33.8Very low129 Ų129157.3 Ų157.384%0.83880%0.801SS**  -142.3-175.2104.737.8-23.2000114.5
416R31.7Very low33.3Very low226 Ų226158.6 Ų158.685%0.85380%0.802SS**  trans-83.3163.9-173.8-68.8177.5167.4-178.4-4.6114.6
417N30.2Very low33.7Very low148 Ų148161.1 Ų161.179%0.79181%0.811SS**  trans68.5114.1154.4-64.1-28.4000118.5
418I34.5Very low34Very low175 Ų175163.9 Ų163.990%0.89781%0.809SS**  trans-151.7147.8131.4-106151000111.1
419R31Very low34.3Very low218 Ų218160.6 Ų160.682%0.82380%0.799SS**  trans-72.2119.1-172.9169-161.7-98168.8-9.3112.2K421R419-K421 PolarHBondContact O-N 2.89Å
420M30.6Very low34.5Very low183 Ų183158.2 Ų158.290%0.90179%0.794SS**  trans-77.4114162-73.4-177.974.900111
421K31.8Very low34.4Very low173 Ų173160.3 Ų160.375%0.75279%0.794SS**  trans-155101.9162.3-90.2-156171.9-161.20108.9R419R419-K421 PolarHBondContact O-N 2.89Å
422S28.9Very low34.8Very low91 Ų91162.8 Ų162.864%0.63679%0.79SS**  trans-155.946.2-178.962.20000113.5
423F36.3Very low35Very low199 Ų199157.8 Ų157.887%0.87378%0.781SS**SBendtrans-142.456.3164.9-82.2-65.3000109.8
424Q35.8Very low35.3Very low155 Ų155153.1 Ų153.172%0.72477%0.773SS**  trans-153.250.1173.7-160.1168.30.500111
425Q37.1Very low35.5Very low149 Ų149151.4 Ų151.470%0.69677%0.766SS**SBendtrans-112.3-34.8175.9-13269.934.800112L427Q425-L427 VanDerWaalsContact C-N 3.33Å; Q425-L427 PolarHBondContact O-N 3.23Å
426D34.6Very low35.1Very low138 Ų138154.9 Ų154.974%0.73876%0.762SS**THydrogen-bonded Turntrans-79.3-8.1-168.3-49.4-53.7000115.2
427L39.2Very low35.1Very low156 Ų156150.8 Ų150.882%0.81776%0.763SS**THydrogen-bonded Turntrans-96-5.2-177.8-145.1107.2000114.2Q425Q425-L427 VanDerWaalsContact C-N 3.33Å; Q425-L427 PolarHBondContact O-N 3.23Å
428Q40.5Very low35Very low149 Ų149149.7 Ų149.770%0.69677%0.766SS**THydrogen-bonded Turntrans-106.4-19.8-173-157.6154.68.100113.4
429V39.5Very low34.7Very low117 Ų117144.7 Ų144.771%0.70976%0.758SS**SBendtrans-73.5-30.6177.8-177.90000112.4Q431V429-Q431 VanDerWaalsContact C-N 3.3Å; V429-Q431 PolarHBondContact O-N 3.02Å
430L38Very low34.8Very low147 Ų147146 Ų14677%0.7776%0.763SS**THydrogen-bonded Turntrans-72.7-20.5-177.6-167.863.3000113.5
431Q37Very low34.6Very low167 Ų167141.9 Ų141.978%0.7875%0.752SS**THydrogen-bonded Turntrans-90.4-13.2-171.7-163.8163.68.200114V429V429-Q431 VanDerWaalsContact C-N 3.3Å; V429-Q431 PolarHBondContact O-N 3.02Å
432E38Very low34.5Very low142 Ų142140.4 Ų140.466%0.66475%0.752SS**SBendtrans-95.2-5.1-174.3-160.7161.6-166.300114.1
433A35.6Very low34.7Very low86 Ų86143.4 Ų143.471%0.71176%0.76SS**SBendtrans-86.3-8.6-172.100000116.1
434I37.5Very low34.2Very low158 Ų158141 Ų14181%0.8176%0.756SS**SBendtrans-100.20.4-165.5-65.8178.8000113.9
435A34.3Very low34Very low73 Ų73139.9 Ų139.960%0.60376%0.76SS**  trans-134.5105179.900000113.3
436R34.7Very low33.5Very low202 Ų202135.9 Ų135.976%0.76276%0.758SS**  trans-170.613.5157.8-109.7166.1-143.995.2-17.6120.3
437T33Very low33.4Very low141 Ų141136.3 Ų136.387%0.86576%0.76SS**  trans-135.7131.7170.849.40000110
438S28Very low33.2Very low124 Ų124136.3 Ų136.387%0.86776%0.755SS**  cis76119.514.1-156.10000115.9
439G27.3Very low32.8Very low70 Ų70137.1 Ų137.172%0.72276%0.759SS**  cis163.8167.7-11.200000115.6
440R32.1Very low32.5Very low247 Ų247140.2 Ų140.293%0.93277%0.766SS**  trans76.1124.7156.9-165.4-171.6-170.5-177.73.8121.7
441S27.8Very low32.1Very low95 Ų95139.7 Ų139.766%0.66476%0.764SS**  147.2118.6122.2-171.60000117.6
442N28.9Very low32.8Very low142 Ų142136.9 Ų136.976%0.75976%0.761SS**  trans30.1157.7139.6-48.2-6.4000121.9
443I33.8Very low32.6Very low155 Ų155136.9 Ų136.980%0.79577%0.765SS**  cis-161.8124.146.4-63170.7000113.6
444N26.3Very low32.4Very low148 Ų148139.9 Ų139.979%0.79177%0.768SS**  trans48.7147.9130-140.118.6000127.4
445V30.2Very low32.2Very low132 Ų132139.8 Ų139.880%0.876%0.764SS**  trans72.4139.7163.4-163.50000118.6
446G27.5Very low32Very low65 Ų65143.3 Ų143.367%0.6777%0.773SS**  cis162.4157.9-1200000115.8
447L32.9Very low31.8Very low147 Ų147136.9 Ų136.977%0.7776%0.763SS**  trans82127.3169-109.675.4000122.8
448E33.6Very low31.6Very low155 Ų155139.2 Ų139.272%0.72476%0.762SS**  trans42.7142.1133.2-75.7155.2-143.300122.8
449E33.4Very low31.7Very low166 Ų166139.3 Ų139.378%0.77676%0.757SS**  cis-162.3177.3-10.5-144.1177.3-154.600111.5
450E31.8Very low31.5Very low183 Ų183141.6 Ų141.686%0.85576%0.76SS**  trans72.2132.6168.1-64.5-98.498.700120.6
451D31.4Very low31.2Very low135 Ų135136.4 Ų136.472%0.72275%0.751SS**  trans-156.6144.5176179.638.3000107.3N453D451-N453 PolarHBondContact OD1-N 3.32Å
452P50.1Low31.4Very low109 Ų109138.6 Ų138.671%0.70875%0.754SS**  -151.8147.997.336.4-16.8000118.7
453N33.9Very low31.1Very low141 Ų141140.5 Ų140.575%0.75476%0.758SS**  trans85.277.2148.4-74.6-48.6000121.5D451D451-N453 PolarHBondContact OD1-N 3.32Å
454L32.7Very low31.1Very low149 Ų149140.6 Ų140.678%0.7876%0.755SS**  26130.1111.3-118.258.3000118.9
455E33.4Very low30.9Very low156 Ų156142.8 Ų142.873%0.72976%0.761SS**  cis60.4132.949-53.1-67.4144.300112.8
456D28.3Very low31.1Very low147 Ų147142.3 Ų142.379%0.78676%0.758SS**  cis91.115325.2-153.628.4000117.2
457A31.9Very low31.4Very low67 Ų67144.2 Ų144.255%0.55476%0.759SS**  trans61.499.7159.500000123.1
458F28.7Very low31.1Very low190 Ų190146.4 Ų146.483%0.83376%0.762SS**  trans49.1105.1130.8-67.1-82.3000124.2
459V29Very low31Very low127 Ų127149.9 Ų149.977%0.7777%0.769SS**  64.2109.3125.3-179.10000120.8
460C23.8Very low30.6Very low118 Ų118147.6 Ų147.680%0.79777%0.771SS**  -176.7123.3106.8-127.50000117
461N25.1Very low30.8Very low137 Ų137146.9 Ų146.973%0.73377%0.768SS**  trans28.4123.4153.3-84.6-16.9000126.4
462I32.8Very low30.7Very low141 Ų141145.8 Ų145.872%0.72377%0.771SS**  74.4121.6128-59.7167.2000121.4
463Q22.6Very low30Very low183 Ų183149.3 Ų149.386%0.85578%0.778SS**  trans-152.8138.7135.8-173.365.767.400109.5
464E32.9Very low29.8Very low156 Ų156147.8 Ų147.873%0.72978%0.778SS**  trans-89.5149.2176.7-67.6-175112.100113.8
465Q23Very low29.9Very low195 Ų195146.8 Ų146.891%0.91177%0.773SS**  trans-157.6163.1130.8-117.2170.486.200113.6
466T34.1Very low29.6Very low121 Ų121147 Ų14774%0.74278%0.776SS**  trans-106.4174.5-17160.60000110.1
467P35.1Very low29.8Very low106 Ų106147.9 Ų147.969%0.68877%0.773SS**  cis-154.1-16726.246.1-23.7000119.2
468K26.6Very low29.7Very low193 Ų193150.7 Ų150.784%0.83978%0.784SS**  trans74.988.3157.2-69.5174.8-175.3174.90120.1
469R29.7Very low29.8Very low228 Ų228148 Ų14886%0.8678%0.777SS**  35.6103.5127.4-172.4-177.4-176.41631118
470S25.5Very low29.7Very low118 Ų118152.9 Ų152.983%0.82578%0.781SS**  trans-111.5160.2142.764.10000109.9
471Q37.1Very low30Very low168 Ų168154.4 Ų154.479%0.78578%0.775SS**  trans-109.6110.3-170.9176.6172.9-2900110
472S28.4Very low30.4Very low112 Ų112153.7 Ų153.778%0.78378%0.777SS**  trans-117.2130.3177-171.80000110.9
473Q35.4Very low30.7Very low183 Ų183154.8 Ų154.886%0.85578%0.777SS**  trans-84.5124.7172.2-69.5-179-15.300109.4
474S30.2Very low31.4Very low109 Ų109148.2 Ų148.276%0.76276%0.758SS**  trans-100.1108.6165.147.50000109.9M476S474-M476 PolarHBondContact O-N 3.45Å
475D34.8Very low31.9Very low127 Ų127141.4 Ų141.468%0.67973%0.728SS**  trans-68.386.3-179.7178.231000111.4K477D475-K477 PolarHBondContact O-N 3.48Å; D475-K477 WeakPolarHBondContact OD2-CE 3.24Å
476M26.5Very low33Very low161 Ų161135 Ų13579%0.79370%0.698SS**  trans-73.177.4175.6-101-164.373.100111.2S474 T478S474-M476 PolarHBondContact O-N 3.45Å; M476-T478 PolarHBondContact O-N 3.46Å
477K33.3Very low33.3Very low165 Ų165131.6 Ų131.672%0.71767%0.673SS**  trans-50.9108.4167.5-68.1-176.9-176.2178.20109.5D475 I479D475-K477 PolarHBondContact O-N 3.48Å; D475-K477 WeakPolarHBondContact OD2-CE 3.24Å; K477-I479 PolarHBondContact O-N 3.03Å
478T29.6Very low33.8Very low127 Ų127135.7 Ų135.778%0.77968%0.675SS**  trans-71101.8-172.9-67.40000109.9M476 R480M476-T478 PolarHBondContact O-N 3.46Å; T478-R480 VanDerWaalsContact C-N 3.35Å; T478-R480 PolarHBondContact O-N 3.3Å
479I30.3Very low34.1Very low133 Ų133130.7 Ų130.768%0.68266%0.662SS**  trans-65.994.2175.4-59.1177.9000108.8K477 F481K477-I479 PolarHBondContact O-N 3.03Å; I479-F481 HydrophobicContact CG2-CE2 4.4Å; I479-F481 HydrophobicContact CG2-CZ 4.4Å; I479-F481 WeakPolarHBondContact O-CD2 3.29Å; I479-F481 PolarHBondContact O-N 2.86Å
480R27Very low34.4Very low229 Ų229127.9 Ų127.986%0.86466%0.663SS**  trans-70.690.5175.3-179.2-172.8-77.3-169.7-4109.3T478 P482T478-R480 VanDerWaalsContact C-N 3.35Å; T478-R480 PolarHBondContact O-N 3.3Å; R480-P482 WeakPolarHBondContact O-CD 3.44Å
481F29.5Very low34.7Very low151 Ų151124.3 Ų124.366%0.66265%0.645SS**  trans-56.8119.4174.1-72.5-82.4000111.5I479 F483I479-F481 HydrophobicContact CG2-CE2 4.4Å; I479-F481 HydrophobicContact CG2-CZ 4.4Å; I479-F481 WeakPolarHBondContact O-CD2 3.29Å; I479-F481 PolarHBondContact O-N 2.86Å; F481-F483 HydrophobicContact CB-CD2 4.07Å; F481-F483 HydrophobicContact CD1-CD2 4.37Å; F481-F483 HydrophobicContact CD1-CE2 4.02Å; F481-F483 PolarHBondContact O-N 3.01Å
482P34.7Very low34.3Very low121 Ų121122.7 Ų122.779%0.78665%0.649SS**  trans-85.745-177.136.2-36.4000112.5R480 G484R480-P482 WeakPolarHBondContact O-CD 3.44Å; P482-G484 VanDerWaalsContact C-N 3.32Å; P482-G484 PolarHBondContact O-N 3.02Å
483F38.8Very low34.5Very low165 Ų165122.6 Ų122.672%0.72465%0.647SS**  trans-9070.5171.3-64.3-60.1000110F481F481-F483 HydrophobicContact CB-CD2 4.07Å; F481-F483 HydrophobicContact CD1-CD2 4.37Å; F481-F483 HydrophobicContact CD1-CE2 4.02Å; F481-F483 PolarHBondContact O-N 3.01Å
484G36.7Very low34.3Very low44 Ų44119.3 Ų119.345%0.45464%0.642SS.*  trans-71.7148.6170.400000111.2P482P482-G484 VanDerWaalsContact C-N 3.32Å; P482-G484 PolarHBondContact O-N 3.02Å
485S43.1Very low34.3Very low14 Ų14118.8 Ų118.810%0.09864%0.644CS.*  trans-58.7145.3167.5-173.10000110.8E153 Y181 S182 F487E153-S485 VanDerWaalsContact OE1-CA 3.28Å; E153-S485 WeakPolarHBondContact OE1-CA 3.27Å; E153-S485 VanDerWaalsContact OE1-CB 3.3Å; E153-S485 WeakPolarHBondContact OE1-CB 3.47Å; E153-S485 PolarHBondContact OE1-OG 3.34Å; Y181-S485 WeakPolarHBondContact CE2-OG 3.24Å; S182-S485 WeakPolarHBondContact O-CB 3.35Å; S485-F487 PolarHBondContact O-N 3.21Å; S485-F487 PolarHBondContact OG-N 3.41Å
486E46.8Very low34.1Very low61 Ų61120.3 Ų120.329%0.28565%0.651SS.*SBendtrans-62.2-23.8173.460.7-176.6-177.300113R70 Y154 R488R70-E486 IonicContact CZ-OE1 3.71Å; R70-E486 IonicContact CZ-OE2 3.79Å; R70-E486 VanDerWaalsContact CZ-OE2 3.29Å; R70-E486 IonicContact NH1-OE1 2.7Å; R70-E486 IonicContact NH1-OE2 2.91Å; R70-E486 PolarHBondContact NH1-OE2 3.18Å; R70-E486 IonicContact NH2-OE1 3.52Å; R70-E486 PolarHBondContact NH2-OE1 2.99Å; R70-E486 IonicContact NH2-OE2 3.79Å; R70-E486 PolarHBondContact NH2-OE2 2.89Å; Y154-E486 WeakPolarHBondContact CE2-OE1 3.47Å; E486-R488 PolarHBondContact O-N 3.28Å
487F40.7Very low34.2Very low48 Ų48118.2 Ų118.221%0.21165%0.652CS.*  trans-80.854.4176.2-66.7-84.9000112.9Y154 F157 F158 Y181 S485 P489Y154-F487 HydrophobicContact CD1-CZ 4.48Å; Y154-F487 AromaticContact CD2-CE2 3.68Å; Y154-F487 HydrophobicContact CD2-CE2 3.68Å; Y154-F487 AromaticContact CD2-CZ 3.79Å; Y154-F487 HydrophobicContact CD2-CZ 3.79Å; Y154-F487 HydrophobicContact CE1-CZ 4.31Å; Y154-F487 AromaticContact CE2-CE2 3.7Å; Y154-F487 HydrophobicContact CE2-CE2 3.7Å; Y154-F487 AromaticContact CE2-CZ 3.59Å; Y154-F487 HydrophobicContact CE2-CZ 3.59Å; Y154-F487 HydrophobicContact CG-CE2 4.41Å; Y154-F487 HydrophobicContact CG-CZ 4.26Å; Y154-F487 AromaticContact CZ-CZ 3.89Å; F157-F487 HydrophobicContact CB-CG 4.49Å; F157-F487 AromaticContact CD1-CD1 3.8Å; F157-F487 HydrophobicContact CD1-CD1 3.8Å; F157-F487 AromaticContact CD1-CE1 3.96Å; F157-F487 HydrophobicContact CD1-CE1 3.96Å; F157-F487 HydrophobicContact CD1-CG 4.31Å; F157-F487 HydrophobicContact CD2-CB 4.12Å; F157-F487 HydrophobicContact CD2-CD1 4.34Å; F157-F487 HydrophobicContact CD2-CG 4.27Å; F157-F487 AromaticContact CE1-CD1 3.86Å; F157-F487 HydrophobicContact CE1-CD1 3.86Å; F157-F487 HydrophobicContact CE1-CE1 4.13Å; F157-F487 HydrophobicContact CE2-CB 4.36Å; F157-F487 HydrophobicContact CE2-CD1 4.38Å; F157-F487 HydrophobicContact CG-CB 4.43Å; F157-F487 HydrophobicContact CG-CD1 4.05Å; F157-F487 HydrophobicContact CG-CG 4.1Å; F157-F487 HydrophobicContact CZ-CD1 4.16Å; F158-F487 HydrophobicContact CE2-CE1 4.38Å; F158-F487 HydrophobicContact CE2-CZ 4.35Å; F158-F487 HydrophobicContact CZ-CE1 4.49Å; Y181-F487 HydrophobicContact CE2-CB 4.46Å; S485-F487 PolarHBondContact O-N 3.21Å; S485-F487 PolarHBondContact OG-N 3.41Å; F487-P489 WeakPolarHBondContact O-CD 3.44Å
488R44.8Very low34.2Very low193 Ų193118.6 Ų118.673%0.72866%0.656SS**  trans-89109.3161.5-73.5-175.3178.3-130.3-3.9108.7E486 L490E486-R488 PolarHBondContact O-N 3.28Å; R488-L490 PolarHBondContact O-N 2.86Å
489P32.8Very low34.2Very low87 Ų87121.6 Ų121.657%0.56566%0.658SS**  trans-60.4139.9169.126.7-33.5000109.3L189 F487 G491L189-P489 HydrophobicContact CD1-CG 4.47Å; L189-P489 HydrophobicContact CD2-CG 4.22Å; F487-P489 WeakPolarHBondContact O-CD 3.44Å; P489-G491 PolarHBondContact O-N 3.3Å
490L36.8Very low34.2Very low169 Ų169119.9 Ų119.989%0.88566%0.664SS**  trans-73.366.5178.4-65.8174.6000111R488R488-L490 PolarHBondContact O-N 2.86Å
491G30.2Very low34.2Very low43 Ų43116.2 Ų116.244%0.44366%0.662SS.*PPolyproline II helixtrans-68.4162166.100000111.1P489 C493P489-G491 PolarHBondContact O-N 3.3Å; G491-C493 PolarHBondContact O-N 2.7Å; G491-C493 VanDerWaalsContact O-N 3.1Å
492P30.5Very low34.3Very low135 Ų135116.7 Ų116.788%0.87767%0.671SS**PPolyproline II helixtrans-54119.6176.8-24.934.4000110.7P494P492-P494 WeakPolarHBondContact O-CD 3.49Å
493C32.2Very low34.1Very low109 Ų109121.2 Ų121.274%0.73668%0.678SS**PPolyproline II helixtrans-69.2121.2173.9-69.40000107.9G491 A495G491-C493 PolarHBondContact O-N 2.7Å; G491-C493 VanDerWaalsContact O-N 3.1Å; C493-A495 PolarHBondContact O-N 3.46Å
494P31.9Very low33.6Very low115 Ų115119 Ų11975%0.74768%0.678SS**PPolyproline II helixtrans-61.9129.5172.526.7-32.7000108.1P492 L496P492-P494 WeakPolarHBondContact O-CD 3.49Å; P494-L496 PolarHBondContact O-N 2.81Å
495A28.3Very low33.2Very low97 Ų97124.4 Ų124.480%0.80270%0.697SS**PPolyproline II helixtrans-56.4125.6-178.300000109.8C493 S497C493-A495 PolarHBondContact O-N 3.46Å; A495-S497 VanDerWaalsContact C-N 3.27Å; A495-S497 PolarHBondContact O-N 2.83Å
496L32.3Very low32.4Very low160 Ų160130.3 Ų130.384%0.83873%0.725SS**  trans-72.190.5172-67.8176.9000107.5P494 H498P494-L496 PolarHBondContact O-N 2.81Å; L496-H498 PolarHBondContact O-N 3.13Å
497S28.7Very low31.5Very low117 Ų117136.8 Ų136.882%0.81875%0.752SS**  trans-56.5108.6171.6-174.50000108.5A495 K499A495-S497 VanDerWaalsContact C-N 3.27Å; A495-S497 PolarHBondContact O-N 2.83Å; S497-K499 PolarHBondContact O-N 3.1Å
498H32.1Very low30.9Very low173 Ų173139.1 Ų139.180%0.80178%0.78SS**PPolyproline II helixtrans-64.8126.9171.6-87.9-108.8000107.8L496 A500L496-H498 PolarHBondContact O-N 3.13Å; H498-A500 PolarHBondContact O-N 3.26Å
499K30.5Very low29.9Very low189 Ų189138.9 Ų138.982%0.82279%0.787SS**PPolyproline II helixtrans-61.3122.2163.6-74.5-168.6169.1-163.50107.7S497S497-K499 PolarHBondContact O-N 3.1Å
500A29.3Very low29.5Very low97 Ų97143.7 Ų143.780%0.80280%0.802SS**PPolyproline II helixtrans-72.1121.5156.900000107.1H498H498-A500 PolarHBondContact O-N 3.26Å
501D28.1Very low29Very low152 Ų152144.5 Ų144.581%0.81380%0.802SS**PPolyproline II helixtrans-78147.8165.7-81.2-44.7000109.5
502L30.8Very low28.8Very low162 Ų162149.8 Ų149.885%0.84882%0.819SS**PPolyproline II helixtrans-73.5123.8175.8-72.2148.1000109.8
503F31.6Very low29Very low216 Ų216149.4 Ų149.495%0.94782%0.816SS**  trans-154.4148.8134.9-98.8-66.1000110.7
504T28.2Very low28.7Very low118 Ų118148.4 Ų148.472%0.72482%0.816SS**  trans-97.6141.4-169.4-510000110.9
505D26.6Very low28.4Very low157 Ų157149.5 Ų149.584%0.8482%0.82SS**  -160.5172.4129.6-110.9-33.2000113.5
506M27Very low28.4Very low139 Ų139152.4 Ų152.469%0.68582%0.822SS**  trans-91.3-177.8-150.6-76-179.652.300118.3
507F28.6Very low28.2Very low196 Ų196152.4 Ų152.486%0.8682%0.819SS**  trans90.1129168-52.4-70.4000116.1
508A27Very low28Very low97 Ų97152.9 Ų152.980%0.80281%0.813SS**  cis-153.1176.5-9.100000110.9
509E24.3Very low28Very low189 Ų189152.4 Ų152.488%0.88381%0.811SS**  trans-74.6149.8-174.6-58.8168.5111.800114.6
510Q25.4Very low27.7Very low188 Ų188148.9 Ų148.988%0.87981%0.81SS**  -160.1167.4126.2-114.3173.90.300112.9
511E24.9Very low27.7Very low186 Ų186150.9 Ų150.987%0.86981%0.812SS**  trans-89165.5-142.7-66.2168.4102.700118
512L26.2Very low27.7Very low153 Ų153147.7 Ų147.780%0.80181%0.807SS**  trans-83.7164.7170.7-100.8171.1000110.5
513P34.3Very low27.7Very low128 Ų128147.1 Ų147.183%0.83180%0.8SS**  -149.1178.466.439.3-17.8000117.4
514A26.8Very low27.5Very low88 Ų88145.5 Ų145.573%0.72779%0.788SS**  trans-127158.7179.900000112.4
515V26.2Very low27.5Very low138 Ų138149.5 Ų149.584%0.83679%0.791SS**  trans-139.4109.2170.1-179.90000105.5
516L26.9Very low27.6Very low158 Ų158148.3 Ų148.383%0.82779%0.789SS**  80.2148.177.2-96173.4000115.7
517M27.9Very low27.7Very low160 Ų160145.7 Ų145.779%0.78879%0.789SS**  trans-47.7171.9-175.7-56.5-71.1-157.200115.8
518D26.1Very low27.6Very low127 Ų127141.4 Ų141.468%0.67978%0.784SS**  cis-161-171.524.8-148.8-9000115.4
519Q30.5Very low27.7Very low163 Ų163145.6 Ų145.676%0.76279%0.787SS**  trans-60.7154.1-179.1-60.4148.178.200117.7
520S25.5Very low27.8Very low114 Ų114141.7 Ų141.780%0.79778%0.78SS**  trans177173.1139.344.10000110.5
521T28.4Very low27.9Very low140 Ų140137.7 Ų137.786%0.85977%0.773SS**  -149.2167.4-52.1-72.50000106.6
522A29.3Very low28.2Very low85 Ų85136.1 Ų136.170%0.70277%0.771SS**  trans-88.2-171.5-167.200000116.3
523E29.9Very low28.4Very low149 Ų149134.6 Ų134.670%0.69677%0.773SS**  trans91.7152.3166.3-46.7-110.597.200116.8
524R28.7Very low28.1Very low183 Ų183137.6 Ų137.669%0.69178%0.776SS**  cis-169.6171.1-44.9-116.8-162.2-72.5171-1.8108.7
525Y27.4Very low28.3Very low201 Ų201138.9 Ų138.979%0.78878%0.779SS**  trans69.1148.2175.3-74.7-96.1000117
526V28.8Very low28.5Very low132 Ų132141.5 Ų141.580%0.878%0.783SS**  cis-155.3175.8-25100.30000110.7
527A28.1Very low28.7Very low84 Ų84141.3 Ų141.369%0.69478%0.781SS**  trans-88.4161.5-164.300000117.9
528S27.9Very low28.9Very low106 Ų106141.9 Ų141.974%0.74179%0.786SS**  trans-152.6115.7145.4-59.10000105.4
529E27.9Very low28.9Very low186 Ų186143.4 Ų143.487%0.86979%0.787SS**  62.1135.188.7-68.2-178.9-146.400114.7
530S26.4Very low29.1Very low107 Ų107141.3 Ų141.375%0.74879%0.787SS**  cis-168.5-178-24.561.80000108.9
531S28.3Very low29.2Very low104 Ų104141.7 Ų141.773%0.72778%0.78SS**  trans69.7107.7175.5-162.60000115.3
532D29.8Very low29.7Very low153 Ų153145.3 Ų145.382%0.81878%0.78SS**  77.7121.967.6-82.7-34.6000115.8
533S31.4Very low30.1Very low121 Ų121152.5 Ų152.585%0.84679%0.79SS**  trans-163.1125157.7-74.80000107.6
534E28.8Very low30.3Very low191 Ų191150.2 Ų150.289%0.89380%0.797SS**  trans-74169.4-171.5-62.1-169.1121.300113.9
535S31.1Very low30.6Very low115 Ų115149.1 Ų149.180%0.80480%0.804SS**  trans-139.6124.4163.1-68.50000108.7
536E29.7Very low31.4Very low193 Ų193151 Ų15190%0.90281%0.811SS**  trans-66.7147-159.5-65.5-177.211200115L538E536-L538 PolarHBondContact O-N 3.25Å; E536-L538 VanDerWaalsContact O-N 3.15Å
537I31.6Very low31.8Very low154 Ų154148.5 Ų148.579%0.7981%0.812SS**  trans-80.198-175.6-61.5165.8000110.3K539I537-K539 PolarHBondContact O-N 3.17Å
538L31.1Very low32Very low171 Ų171153.3 Ų153.390%0.89582%0.817SS**  trans-68.1110.3162-83.8170.6000110E536E536-L538 PolarHBondContact O-N 3.25Å; E536-L538 VanDerWaalsContact O-N 3.15Å
539K26.6Very low32.2Very low160 Ų160157.9 Ų157.970%0.69683%0.827SS**  trans-63.1128.5-173.6-63.9179.5173.1-1720113.1I537 D541I537-K539 PolarHBondContact O-N 3.17Å; K539-D541 WeakPolarHBondContact CD-OD2 3.26Å; K539-D541 PolarHBondContact O-N 2.78Å; K539-D541 VanDerWaalsContact O-N 3.1Å
540P34.5Very low32.5Very low118 Ų118155.9 Ų155.977%0.76682%0.82SS**  trans-8543.9173.836.3-36.3000113.1Y542P540-Y542 PolarHBondContact O-N 2.76Å
541D28.6Very low33.2Very low123 Ų123159.6 Ų159.666%0.65882%0.818SS**THydrogen-bonded Turntrans-75.855.3-175.2-76.8-24.9000113.3K539K539-D541 WeakPolarHBondContact CD-OD2 3.26Å; K539-D541 PolarHBondContact O-N 2.78Å; K539-D541 VanDerWaalsContact O-N 3.1Å
542Y38.3Very low33.8Very low216 Ų216158.2 Ų158.285%0.84781%0.809SS**THydrogen-bonded Turntrans-144.115.6175.5-120.8-80.3000117P540P540-Y542 PolarHBondContact O-N 2.76Å
543Y37.5Very low34.8Very low236 Ų236153.8 Ų153.893%0.92579%0.788SS**  trans-13651.6176.1-85.1-71.3000114.6
544A33.8Very low36.1Very low101 Ų101152.4 Ų152.484%0.83577%0.769SS**  trans-13041.9-176.300000115.2
545L35.9Very low37.9Very low159 Ų159143.7 Ų143.783%0.83273%0.73SS**SBendtrans-13224.2-178.1-110174.5000117.1
546Y44.1Very low39.7Very low242 Ų242142.4 Ų142.495%0.94971%0.708SS**  trans-132.450163.9-78.1-70.8000111.6
547G36.8Very low41.7Very low79 Ų79134.5 Ų134.581%0.81467%0.671SS**  trans-10142.5-177.600000115
548K31.3Very low43.5Very low184 Ų184133.3 Ų133.380%0.866%0.657SS**SBendtrans-147.9127.9167.1-108.6178.5-178178.10109.9I550K548-I550 PolarHBondContact O-N 2.86Å
549E32.4Very low44.9Very low203 Ų203127 Ų12795%0.94962%0.624SS**  trans-82.462.8-176.2-163.2165.8-145.900111.6
550I33.6Very low46.3Very low143 Ų143123 Ų12373%0.73362%0.617SS**  trans-75.8122.6165.1-58.1173.1000106.6K548 S552K548-I550 PolarHBondContact O-N 2.86Å; I550-S552 PolarHBondContact O-N 2.91Å
551R41.3Very low47.2Very low185 Ų185120.6 Ų120.670%0.69860%0.602SS**  trans-60.4111.6168.3-83.7-166.9179.4174.92.6108.9E571R551-E571 WeakPolarHBondContact CD-OE1 3.42Å; R551-E571 IonicContact CZ-OE1 3.71Å; R551-E571 IonicContact NE-OE1 3.93Å; R551-E571 VanDerWaalsContact NH1-CD 3.34Å; R551-E571 IonicContact NH1-OE1 2.76Å; R551-E571 PolarHBondContact NH1-OE1 3.15Å; R551-E571 IonicContact NH1-OE2 2.59Å; R551-E571 PolarHBondContact NH1-OE2 3.21Å; R551-E571 VanDerWaalsContact NH1-OE2 3.08Å
552S41.8Very low48.6Very low76 Ų76115.1 Ų115.153%0.53158%0.575SS.*  trans-62135.1167.756.60000109.6I550 M554I550-S552 PolarHBondContact O-N 2.91Å; S552-M554 PolarHBondContact O-N 2.6Å
553P51.1Low49.6Very low60 Ų60105.7 Ų105.739%0.3954%0.54SS..  trans-53.6132-17821-33.2000111.2A555 E569P553-A555 PolarHBondContact O-N 3.2Å; P553-E569 WeakPolarHBondContact CB-O 3.32Å
554M57.4Low51.4Low91 Ų9194.4 Ų94.445%0.44850%0.496SS..  trans-82.384.3-167.5-170.3173.2179.200111.3S552 R556S552-M554 PolarHBondContact O-N 2.6Å; M554-R556 PolarHBondContact O-N 3.26Å
555A67.3Low53.5Low9 Ų992.5 Ų92.57%0.07447%0.47CS..  trans-51.4130173.900000111.4R159 L160 P553 D567 E568R159-A555 HydrophobicContact CB-CB 4.15Å; L160-A555 WeakPolarHBondContact CD2-O 3.34Å; P553-A555 PolarHBondContact O-N 3.2Å; A555-D567 CarbonylContact C-O 3.59Å; A555-E568 HydrophobicContact CB-CG 4.31Å
556R69.4Low55.3Low88 Ų8885.1 Ų85.133%0.33243%0.431SS..EExtended strand (participates in β ladder)trans-131.8133.9-175.4-171-178.5-66.8143.2-0.8110.9M554 D567 E569M554-R556 PolarHBondContact O-N 3.26Å; R556-D567 PolarHBondContact N-O 2.89Å; R556-D567 PolarHBondContact O-N 2.98Å; R556-E569 IonicContact CZ-OE1 2.81Å; R556-E569 IonicContact CZ-OE2 3.64Å; R556-E569 VanDerWaalsContact NH1-CD 3.34Å; R556-E569 IonicContact NH1-OE1 3.63Å; R556-E569 PolarHBondContact NH1-OE1 3.46Å; R556-E569 IonicContact NH1-OE2 3.35Å; R556-E569 IonicContact NH2-OE1 3.73Å; R556-E569 PolarHBondContact NH2-OE1 3.48Å; R556-E569 IonicContact NH2-OE2 3.93Å; R556-E569 PolarHBondContact NH2-OE2 3.44Å
557I70.7Confident56.6Low26 Ų2674.9 Ų74.913%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-93.6128.5175.1-74.4-174.4000110.6H155 A156 L160 L559 L564 L566H155-I557 WeakPolarHBondContact ND1-CD1 3.03Å; A156-I557 HydrophobicContact CB-CD1 3.92Å; L160-I557 HydrophobicContact CD1-CB 4.48Å; L160-I557 HydrophobicContact CD1-CD1 3.84Å; L160-I557 HydrophobicContact CD1-CG1 4.12Å; L160-I557 HydrophobicContact CD2-CG1 4.3Å; L160-I557 HydrophobicContact CG-CD1 4.42Å; I557-L559 HydrophobicContact CG2-CD1 3.82Å; I557-L559 HydrophobicContact CG2-CD2 4.41Å; I557-L559 HydrophobicContact CG2-CG 3.61Å; I557-L564 HydrophobicContact CB-CD1 4.27Å; I557-L564 HydrophobicContact CD1-CD1 4.13Å; I557-L564 HydrophobicContact CG1-CD1 4Å; I557-L564 HydrophobicContact CG2-CD1 3.58Å; I557-L566 HydrophobicContact CG1-CD2 4.12Å
558R69.8Low57.6Low129 Ų12973.6 Ų73.649%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-113.2119.4163.4-72.4-178.3172.3135.2-10.5109.6Q565 D567R558-Q565 HydrophobicContact CB-CB 4.14Å; R558-Q565 PolarHBondContact N-O 3.1Å; R558-Q565 PolarHBondContact O-N 3.37Å; R558-D567 WeakPolarHBondContact CD-OD2 3.31Å; R558-D567 WeakPolarHBondContact CG-OD2 3.15Å; R558-D567 IonicContact CZ-OD2 3.08Å; R558-D567 VanDerWaalsContact CZ-OD2 3.31Å; R558-D567 IonicContact NE-OD2 3.45Å; R558-D567 PolarHBondContact NE-OD2 3.11Å; R558-D567 IonicContact NH1-OD1 3.63Å; R558-D567 PolarHBondContact NH1-OD1 3.21Å; R558-D567 IonicContact NH1-OD2 2.91Å; R558-D567 PolarHBondContact NH1-OD2 2.79Å
559L61.2Low58.3Low38 Ų3868.5 Ų68.520%0.19935%0.345CS..EExtended strand (participates in β ladder)trans-109.2130.5-178.5-76.4162.3000111.8W148 V152 R180 I557 L564W148-L559 HydrophobicContact CH2-CD2 4Å; W148-L559 HydrophobicContact CZ2-CD2 3.93Å; V152-L559 HydrophobicContact CG1-CD1 4.38Å; V152-L559 HydrophobicContact CG1-CD2 4.28Å; V152-L559 HydrophobicContact CG2-CD2 4.02Å; R180-L559 HydrophobicContact CB-CD1 4.45Å; R180-L559 HydrophobicContact CG-CD1 3.96Å; I557-L559 HydrophobicContact CG2-CD1 3.82Å; I557-L559 HydrophobicContact CG2-CD2 4.41Å; I557-L559 HydrophobicContact CG2-CG 3.61Å; L559-L564 HydrophobicContact CD2-CB 4.21Å; L559-L564 HydrophobicContact CD2-CD1 3.95Å; L559-L564 HydrophobicContact CG-CD1 4.41Å
560S55Low58.6Low78 Ų7865.3 Ų65.355%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-135.3172170-174.20000109.6G562 S563S560-G562 PolarHBondContact O-N 3.47Å; S560-S563 PolarHBondContact N-O 3.14Å; S560-S563 PolarHBondContact O-N 3.26Å; S560-S563 VanDerWaalsContact O-O 3.13Å
561S54.5Low59Low66 Ų6663.7 Ų63.746%0.46232%0.324SS..THydrogen-bonded Turntrans-50.396.2-176-74.60000113.8K175 G176K175-S561 PolarHBondContact O-OG 2.87Å; G176-S561 WeakPolarHBondContact CA-OG 3.27Å
562G56.7Low58.7Low9 Ų962.4 Ų62.49%0.09333%0.331CS..THydrogen-bonded Turntrans72.525.3-178.100000114.4S112 F113 S560S112-G562 VanDerWaalsContact CA-O 3.28Å; S112-G562 WeakPolarHBondContact CA-O 3.37Å; S112-G562 WeakPolarHBondContact CB-O 3.19Å; F113-G562 PolarHBondContact N-O 2.9Å; S560-G562 PolarHBondContact O-N 3.47Å
563S60.6Low58.3Low17 Ų1762.2 Ų62.212%0.11933%0.334CS..EExtended strand (participates in β ladder)trans-144.8110.5-170.2160.60000110.9K110 S560K110-S563 WeakPolarHBondContact CE-OG 3.13Å; K110-S563 PolarHBondContact NZ-OG 3.03Å; S560-S563 PolarHBondContact N-O 3.14Å; S560-S563 PolarHBondContact O-N 3.26Å; S560-S563 VanDerWaalsContact O-O 3.13Å
564L74Confident57.4Low0 Ų069.3 Ų69.30%035%0.354CS..EExtended strand (participates in β ladder)trans-97.8120.1167.2169.965.8000107.8K110 L111 W148 V152 I557 L559 L566K110-L564 CarbonylContact C-O 3.58Å; K110-L564 VanDerWaalsContact CA-O 3.27Å; K110-L564 WeakPolarHBondContact CA-O 3.39Å; K110-L564 WeakPolarHBondContact CG-O 3.35Å; L111-L564 HydrophobicContact CB-CB 4.28Å; L111-L564 HydrophobicContact CB-CD2 4.29Å; L111-L564 HydrophobicContact CD1-CD2 3.96Å; L111-L564 HydrophobicContact CG-CD2 4.43Å; L111-L564 PolarHBondContact N-O 3.27Å; L111-L564 PolarHBondContact O-N 3.26Å; W148-L564 HydrophobicContact CZ2-CB 4.19Å; V152-L564 HydrophobicContact CG2-CB 4.1Å; V152-L564 HydrophobicContact CG2-CD1 4.32Å; V152-L564 HydrophobicContact CG2-CD2 3.83Å; V152-L564 HydrophobicContact CG2-CG 4.31Å; I557-L564 HydrophobicContact CB-CD1 4.27Å; I557-L564 HydrophobicContact CD1-CD1 4.13Å; I557-L564 HydrophobicContact CG1-CD1 4Å; I557-L564 HydrophobicContact CG2-CD1 3.58Å; L559-L564 HydrophobicContact CD2-CB 4.21Å; L559-L564 HydrophobicContact CD2-CD1 3.95Å; L559-L564 HydrophobicContact CG-CD1 4.41Å; L564-L566 HydrophobicContact CD1-CD2 3.74Å; L564-L566 HydrophobicContact CD2-CD2 3.93Å; L564-L566 HydrophobicContact CG-CD2 3.75Å; L564-L566 HydrophobicContact CG-CG 4.4Å
565Q77.8Confident56.1Low60 Ų6074.5 Ų74.528%0.2838%0.375SS..EExtended strand (participates in β ladder)trans-105.4137.8165.9169.1172.9-16.700108.6K110 R558 D567K110-Q565 HydrophobicContact CG-CB 4.46Å; R558-Q565 HydrophobicContact CB-CB 4.14Å; R558-Q565 PolarHBondContact N-O 3.1Å; R558-Q565 PolarHBondContact O-N 3.37Å; Q565-D567 PolarHBondContact NE2-OD1 3.29Å
566L75.6Confident54.2Low4 Ų480.8 Ų80.82%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-109.2127.4175.6-53.1-176.6000106.9W105 I108 R109 H155 I557 L564W105-L566 HydrophobicContact CE3-CD1 4.24Å; I108-L566 HydrophobicContact CB-CD1 4.17Å; I108-L566 HydrophobicContact CG2-CD1 4Å; I108-L566 WeakPolarHBondContact O-CB 3.38Å; I108-L566 WeakPolarHBondContact O-CD1 3.37Å; R109-L566 PolarHBondContact O-N 3.33Å; H155-L566 VanDerWaalsContact CD2-CD1 3.43Å; H155-L566 WeakPolarHBondContact CD2-CD1 3.39Å; I557-L566 HydrophobicContact CG1-CD2 4.12Å; L564-L566 HydrophobicContact CD1-CD2 3.74Å; L564-L566 HydrophobicContact CD2-CD2 3.93Å; L564-L566 HydrophobicContact CG-CD2 3.75Å; L564-L566 HydrophobicContact CG-CG 4.4Å
567D70.6Confident52.4Low28 Ų2882.2 Ų82.215%0.1543%0.426CS..EExtended strand (participates in β ladder)trans-120.7128.8171.4-50.8-66.5000107.1A555 R556 R558 Q565A555-D567 CarbonylContact C-O 3.59Å; R556-D567 PolarHBondContact N-O 2.89Å; R556-D567 PolarHBondContact O-N 2.98Å; R558-D567 WeakPolarHBondContact CD-OD2 3.31Å; R558-D567 WeakPolarHBondContact CG-OD2 3.15Å; R558-D567 IonicContact CZ-OD2 3.08Å; R558-D567 VanDerWaalsContact CZ-OD2 3.31Å; R558-D567 IonicContact NE-OD2 3.45Å; R558-D567 PolarHBondContact NE-OD2 3.11Å; R558-D567 IonicContact NH1-OD1 3.63Å; R558-D567 PolarHBondContact NH1-OD1 3.21Å; R558-D567 IonicContact NH1-OD2 2.91Å; R558-D567 PolarHBondContact NH1-OD2 2.79Å; Q565-D567 PolarHBondContact NE2-OD1 3.29Å
568E58Low50.6Low51 Ų5187 Ų8724%0.23846%0.458CS..  trans-105.6139.6164.1-54.4-159.9167.900107.2R159 A555R159-E568 IonicContact CZ-OE1 3.02Å; R159-E568 IonicContact NE-OE1 2.72Å; R159-E568 VanDerWaalsContact NH2-CD 3.27Å; R159-E568 IonicContact NH2-OE1 2.77Å; R159-E568 PolarHBondContact NH2-OE1 2.68Å; R159-E568 IonicContact NH2-OE2 3.32Å; R159-E568 PolarHBondContact NH2-OE2 3.42Å; R159-E568 VanDerWaalsContact NH2-OE2 3.14Å; A555-E568 HydrophobicContact CB-CG 4.31Å
569E45Very low48.8Very low78 Ų7887.2 Ų87.236%0.36447%0.474SS..  trans-99.3113.1178.5-74179.7149.300109.4P553 R556P553-E569 WeakPolarHBondContact CB-O 3.32Å; R556-E569 IonicContact CZ-OE1 2.81Å; R556-E569 IonicContact CZ-OE2 3.64Å; R556-E569 VanDerWaalsContact NH1-CD 3.34Å; R556-E569 IonicContact NH1-OE1 3.63Å; R556-E569 PolarHBondContact NH1-OE1 3.46Å; R556-E569 IonicContact NH1-OE2 3.35Å; R556-E569 IonicContact NH2-OE1 3.73Å; R556-E569 PolarHBondContact NH2-OE1 3.48Å; R556-E569 IonicContact NH2-OE2 3.93Å; R556-E569 PolarHBondContact NH2-OE2 3.44Å
570D39.4Very low47.4Very low136 Ų13690.3 Ų90.373%0.72751%0.505SS*.  trans-73.8122.7168-59.3-52.3000108.9D572D570-D572 PolarHBondContact O-N 2.93Å
571E42Very low46.4Very low108 Ų10895.7 Ų95.751%0.50552%0.522SS..  trans-8446-176.6-71.2-131.9-140.600113.5R551 A573R551-E571 WeakPolarHBondContact CD-OE1 3.42Å; R551-E571 IonicContact CZ-OE1 3.71Å; R551-E571 IonicContact NE-OE1 3.93Å; R551-E571 VanDerWaalsContact NH1-CD 3.34Å; R551-E571 IonicContact NH1-OE1 2.76Å; R551-E571 PolarHBondContact NH1-OE1 3.15Å; R551-E571 IonicContact NH1-OE2 2.59Å; R551-E571 PolarHBondContact NH1-OE2 3.21Å; R551-E571 VanDerWaalsContact NH1-OE2 3.08Å; E571-A573 VanDerWaalsContact C-N 3.34Å; E571-A573 PolarHBondContact O-N 3.2Å
572D34.3Very low45.3Very low158 Ų15899.5 Ų99.585%0.84554%0.537SS*.  trans-93.151.4174.1-79-41.8000111.9D570D570-D572 PolarHBondContact O-N 2.93Å
573A35.2Very low44.2Very low72 Ų72110.3 Ų110.360%0.59558%0.575SS**SBendtrans-147.9119179.500000114.5E571E571-A573 VanDerWaalsContact C-N 3.34Å; E571-A573 PolarHBondContact O-N 3.2Å
574Y32Very low42.8Very low210 Ų210114.7 Ų114.782%0.82460%0.601SS**  trans64.776.9166.3-62.4-78.8000119
575F28.8Very low40.7Very low199 Ų199119.6 Ų119.687%0.87364%0.636SS**  trans-93.897.4142-84-83.1000110.2
576N28.5Very low38.3Very low142 Ų142124.2 Ų124.276%0.75966%0.661SS**  trans-130.192.1164.9-91.5-28.4000108.2
577T30.3Very low36.1Very low118 Ų118133.3 Ų133.372%0.72470%0.701SS**PPolyproline II helixtrans-83.1124.1178.948.10000111T579T577-T579 PolarHBondContact O-N 3.37Å
578P33.8Very low34.6Very low125 Ų125137.2 Ų137.281%0.81273%0.728SS**PPolyproline II helixtrans-73.2122.1163.130.3-30.8000109.1
579T31Very low33.1Very low135 Ų135139.6 Ų139.683%0.82875%0.749SS**PPolyproline II helixtrans-69.4128.2171.841.70000110.4T577T577-T579 PolarHBondContact O-N 3.37Å
580A32.6Very low32.3Very low102 Ų102141.5 Ų141.584%0.84376%0.761SS**PPolyproline II helixtrans-89.4127.2168.600000109.7
581E33.5Very low31.7Very low191 Ų191144.5 Ų144.589%0.89376%0.764SS**  trans-116135.3161-68.3-166.2154.700108.5
582D31.7Very low30.9Very low146 Ų146148.1 Ų148.178%0.78178%0.778SS**  trans-109.8127.7-177177.121.1000110.4
583R33.5Very low30.5Very low236 Ų236148.6 Ų148.689%0.89178%0.78SS**  trans-165.489.1163.7-114.1163.4-174.6178.71.8113.9
584T31.3Very low30.2Very low110 Ų110153.3 Ų153.368%0.67582%0.819SS**  trans25103.513658.70000119.4
585S29.1Very low30.2Very low103 Ų103150.5 Ų150.572%0.7282%0.819SS**  trans45118.4134.463.40000121.8
586L28.8Very low30.2Very low156 Ų156147.9 Ų147.982%0.81782%0.816SS**  179.6118113.6-100.6163.1000115.2
587K28.1Very low30.3Very low195 Ų195148.3 Ų148.385%0.84882%0.819SS**  trans53.1165.8151.1-83.4-174.7175.1-179.30121.3
588P39.6Very low30.3Very low111 Ų111150.1 Ų150.172%0.72183%0.825SS**  trans-117.4-175.8-164.943.5-33.6000115.7
589C27.7Very low30.1Very low101 Ų101151.6 Ų151.668%0.68283%0.826SS**  trans90.1124164.5-61.10000118.3
590N26.6Very low30Very low117 Ų117152.7 Ų152.763%0.62683%0.826SS**  42.9141.6129-44.6-9000119.3
591Y27.3Very low29.9Very low199 Ų199156.4 Ų156.478%0.7882%0.824SS**  cis-152.9153.237.6-77.8-90.2000114.2
592F25.1Very low29.6Very low185 Ų185153.7 Ų153.781%0.81182%0.819SS**  trans13146.9140.8-83.4-88.2000123.7
593L25.1Very low29.4Very low167 Ų167154.3 Ų154.387%0.87482%0.822SS**  trans73.5131.9161.5-60.5158.4000115.5
594A30.6Very low29Very low172 Ų172146.9 Ų146.9100%1.42182%0.816SS**  cis-130.5014.900000113.3

Retrieved 594 of 594 residues in 124.1 ms (Link to these results)

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