A0A3Q0KKB6_SCHMA Loading...

Venom allergen-like (VAL) 5 protein

AlphaFold DB , UniProt , Accession A0A3Q0KKB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 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
1M88.8Confident97Very high130 Ų13069.1 Ų69.164%0.6434%0.343SS*.  0-52.40-158.8174.6-7400112.1D3 Y4 F5 L78 V122M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.43Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 2.78Å; M1-F5 HydrophobicContact CG-CD2 4.02Å; M1-F5 HydrophobicContact CG-CE2 3.62Å; M1-F5 PolarHBondContact O-N 2.82Å; M1-F5 HydrophobicContact SD-CE2 3.97Å; M1-L78 HydrophobicContact CG-CD2 4.27Å; M1-V122 HydrophobicContact CE-CB 4.41Å; M1-V122 HydrophobicContact SD-CB 3.73Å; M1-V122 HydrophobicContact SD-CG1 4.43Å; M1-V122 HydrophobicContact SD-CG2 3.5Å; M1-V122 VanDerWaalsContact SD-CG2 3.5Å
2R96.1Very high97.1Very high133 Ų13364 Ų6450%0.50232%0.318SS..Hα-helixtrans-39.5-54.6172.2-177.5-171.270.7-165.1-1.7114Y4 F5 I6 W35R2-Y4 VanDerWaalsContact C-N 3.28Å; R2-Y4 PolarHBondContact O-N 3.35Å; R2-F5 WeakPolarHBondContact O-CB 3.14Å; R2-F5 PolarHBondContact O-N 2.81Å; R2-I6 HydrophobicContact CG-CD1 3.89Å; R2-I6 HydrophobicContact CG-CG1 4.45Å; R2-I6 WeakPolarHBondContact O-CG1 3.17Å; R2-I6 PolarHBondContact O-N 3.14Å; R2-W35 HydrophobicContact CB-CH2 4.46Å; R2-W35 HydrophobicContact CB-CZ2 4.37Å; R2-W35 HydrophobicContact CG-CB 4.42Å; R2-W35 HydrophobicContact CG-CD2 3.53Å; R2-W35 HydrophobicContact CG-CE3 3.8Å; R2-W35 HydrophobicContact CG-CG 3.83Å; R2-W35 HydrophobicContact CG-CH2 4.33Å; R2-W35 HydrophobicContact CG-CZ2 4.11Å; R2-W35 HydrophobicContact CG-CZ3 4.2Å
3D97.1Very high97.2Very high96 Ų9659.1 Ų59.151%0.51329%0.294SS..Hα-helixtrans-67-30.4-173.1-53.6-22.6000112.5M1 I6 A7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.43Å; D3-I6 PolarHBondContact O-N 2.8Å; D3-A7 WeakPolarHBondContact O-CB 3.31Å; D3-A7 PolarHBondContact O-N 3.03Å
4Y96.1Very high97.3Very high161 Ų16162 Ų6263%0.63131%0.306SS*.Hα-helixtrans-64.6-44.6170.8-75.9-80.7000111.5M1 R2 A7 M8M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 2.78Å; R2-Y4 VanDerWaalsContact C-N 3.28Å; R2-Y4 PolarHBondContact O-N 3.35Å; Y4-A7 PolarHBondContact O-N 3.23Å; Y4-M8 WeakPolarHBondContact O-CB 3.39Å; Y4-M8 VanDerWaalsContact O-CG 3.28Å; Y4-M8 WeakPolarHBondContact O-CG 3.26Å; Y4-M8 PolarHBondContact O-N 3.23Å
5F98.3Very high97.4Very high2 Ų258.9 Ų58.91%0.00929%0.294CS..Hα-helixtrans-59.9-47.1176.1-79.2-63000111.7M1 R2 A7 M8 H9 W35 L78 F118 C120 V122 V134M1-F5 HydrophobicContact CG-CD2 4.02Å; M1-F5 HydrophobicContact CG-CE2 3.62Å; M1-F5 PolarHBondContact O-N 2.82Å; M1-F5 HydrophobicContact SD-CE2 3.97Å; R2-F5 WeakPolarHBondContact O-CB 3.14Å; R2-F5 PolarHBondContact O-N 2.81Å; F5-A7 PolarHBondContact O-N 3.29Å; F5-M8 HydrophobicContact CD1-CE 4Å; F5-M8 PolarHBondContact O-N 3.25Å; F5-H9 PolarHBondContact O-N 3.4Å; F5-H9 VanDerWaalsContact O-N 3.11Å; F5-H9 PolarHBondContact O-ND1 3.19Å; F5-W35 HydrophobicContact CB-CZ3 3.94Å; F5-W35 HydrophobicContact CD2-CH2 4.27Å; F5-W35 HydrophobicContact CD2-CZ3 4.21Å; F5-W35 HydrophobicContact CG-CZ3 4.36Å; F5-L78 HydrophobicContact CD1-CD1 4.5Å; F5-L78 HydrophobicContact CE1-CD1 3.51Å; F5-L78 HydrophobicContact CE1-CD2 4.32Å; F5-L78 HydrophobicContact CE1-CG 4.43Å; F5-L78 HydrophobicContact CE2-CD2 4.38Å; F5-L78 HydrophobicContact CZ-CD1 3.51Å; F5-L78 HydrophobicContact CZ-CD2 4.1Å; F5-L78 HydrophobicContact CZ-CG 4.44Å; F5-F118 HydrophobicContact CB-CE2 3.97Å; F5-F118 HydrophobicContact CB-CZ 4.12Å; F5-C120 HydrophobicContact CD1-CB 3.86Å; F5-C120 WeakPolarHBondContact CD1-SG 3.36Å; F5-C120 HydrophobicContact CD2-CB 3.75Å; F5-C120 HydrophobicContact CE1-CB 3.66Å; F5-C120 HydrophobicContact CE2-CB 3.55Å; F5-C120 HydrophobicContact CG-CB 3.89Å; F5-C120 HydrophobicContact CZ-CB 3.51Å; F5-V122 HydrophobicContact CE2-CG2 3.85Å; F5-V122 HydrophobicContact CZ-CG2 3.52Å; F5-V134 HydrophobicContact CE1-CG1 4.06Å; F5-V134 HydrophobicContact CZ-CG1 4.05Å
6I98.5Very high97.4Very high46 Ų4655.3 Ų55.324%0.23628%0.276CS..Hα-helixtrans-58.2-49.8177.6-65.1171.3000110.1R2 D3 N10 W35 F118R2-I6 HydrophobicContact CG-CD1 3.89Å; R2-I6 HydrophobicContact CG-CG1 4.45Å; R2-I6 WeakPolarHBondContact O-CG1 3.17Å; R2-I6 PolarHBondContact O-N 3.14Å; D3-I6 PolarHBondContact O-N 2.8Å; I6-N10 WeakPolarHBondContact CG2-ND2 3.46Å; I6-N10 VanDerWaalsContact O-CB 3.25Å; I6-N10 WeakPolarHBondContact O-CB 3.5Å; I6-N10 PolarHBondContact O-N 3.49Å; I6-N10 PolarHBondContact O-ND2 3.34Å; I6-W35 HydrophobicContact CD1-CB 3.97Å; I6-W35 HydrophobicContact CG1-CB 4.35Å; I6-W35 HydrophobicContact CG1-CE3 4.37Å; I6-F118 HydrophobicContact CB-CZ 4.49Å; I6-F118 HydrophobicContact CG1-CE1 4.08Å; I6-F118 HydrophobicContact CG1-CZ 3.99Å
7A98.2Very high97.5Very high53 Ų5355 Ų5544%0.43827%0.273SS..Hα-helixtrans-60.1-50-178.700000111.9D3 Y4 F5 H9 N10 V11D3-A7 WeakPolarHBondContact O-CB 3.31Å; D3-A7 PolarHBondContact O-N 3.03Å; Y4-A7 PolarHBondContact O-N 3.23Å; F5-A7 PolarHBondContact O-N 3.29Å; A7-H9 PolarHBondContact O-N 3.18Å; A7-N10 PolarHBondContact O-N 3.21Å; A7-V11 WeakPolarHBondContact O-CB 3.22Å; A7-V11 VanDerWaalsContact O-CG2 3.24Å; A7-V11 WeakPolarHBondContact O-CG2 3.13Å; A7-V11 PolarHBondContact O-N 3.45Å
8M98Very high97.5Very high24 Ų2459.5 Ų59.512%0.11829%0.287CS..Hα-helixtrans-61-46-178.1-71-174.3-62.400112.6Y4 F5 V12 L78 L79 F82Y4-M8 WeakPolarHBondContact O-CB 3.39Å; Y4-M8 VanDerWaalsContact O-CG 3.28Å; Y4-M8 WeakPolarHBondContact O-CG 3.26Å; Y4-M8 PolarHBondContact O-N 3.23Å; F5-M8 HydrophobicContact CD1-CE 4Å; F5-M8 PolarHBondContact O-N 3.25Å; M8-V12 PolarHBondContact O-N 3.03Å; M8-L78 HydrophobicContact CE-CD2 4.14Å; M8-L78 HydrophobicContact CE-CG 4.12Å; M8-L79 HydrophobicContact CG-CD2 4.47Å; M8-L79 HydrophobicContact SD-CD2 3.48Å; M8-L79 WeakPolarHBondContact SD-CD2 3.47Å; M8-F82 HydrophobicContact CB-CD1 3.9Å; M8-F82 HydrophobicContact CB-CD2 3.9Å; M8-F82 HydrophobicContact CB-CE1 3.71Å; M8-F82 HydrophobicContact CB-CE2 3.71Å; M8-F82 HydrophobicContact CB-CG 4Å; M8-F82 HydrophobicContact CB-CZ 3.62Å; M8-F82 HydrophobicContact CE-CB 4.23Å; M8-F82 HydrophobicContact CE-CD2 4.08Å; M8-F82 HydrophobicContact CE-CG 4.17Å; M8-F82 HydrophobicContact CG-CD1 4.31Å; M8-F82 HydrophobicContact CG-CG 4.38Å; M8-F82 VanDerWaalsContact O-CZ 3.26Å; M8-F82 WeakPolarHBondContact O-CZ 3.45Å; M8-F82 HydrophobicContact SD-CB 3.75Å; M8-F82 HydrophobicContact SD-CD1 4.03Å; M8-F82 HydrophobicContact SD-CD2 4.14Å; M8-F82 HydrophobicContact SD-CG 3.68Å
9H98.7Very high97.5Very high0 Ų058.2 Ų58.20%029%0.291CS..Hα-helixtrans-63.3-46.2178-7574.9000111.6F5 A7 V11 V12 R13 L33 F82 L110 F118 Y138F5-H9 PolarHBondContact O-N 3.4Å; F5-H9 VanDerWaalsContact O-N 3.11Å; F5-H9 PolarHBondContact O-ND1 3.19Å; A7-H9 PolarHBondContact O-N 3.18Å; H9-V11 PolarHBondContact O-N 2.96Å; H9-V12 PolarHBondContact O-N 3.38Å; H9-R13 WeakPolarHBondContact O-CG 3.13Å; H9-R13 PolarHBondContact O-N 3.06Å; H9-L33 HydrophobicContact CB-CD1 4.16Å; H9-F82 AromaticContact CE1-CE2 3.64Å; H9-F82 AromaticContact ND1-CE2 3.59Å; H9-L110 WeakPolarHBondContact CD2-CD2 3.48Å; H9-L110 WeakPolarHBondContact NE2-CD2 3.2Å; H9-F118 HydrophobicContact CB-CE2 4.43Å; H9-F118 HydrophobicContact CB-CZ 4.41Å; H9-F118 AromaticContact CD2-CD2 3.88Å; H9-F118 AromaticContact CD2-CE2 3.93Å; H9-F118 AromaticContact CE1-CD2 3.77Å; H9-F118 AromaticContact CE1-CE2 3.4Å; H9-F118 WeakPolarHBondContact CE1-CE2 3.39Å; H9-F118 AromaticContact CG-CE2 3.67Å; H9-F118 AromaticContact ND1-CE2 3.33Å; H9-F118 VanDerWaalsContact ND1-CE2 3.33Å; H9-F118 WeakPolarHBondContact ND1-CE2 3.35Å; H9-F118 AromaticContact ND1-CZ 3.94Å; H9-F118 AromaticContact NE2-CD2 3.68Å; H9-F118 AromaticContact NE2-CE2 3.77Å; H9-Y138 AromaticContact CD2-CE1 3.71Å; H9-Y138 AromaticContact NE2-CE1 3.5Å; H9-Y138 WeakPolarHBondContact NE2-CE1 3.48Å; H9-Y138 AromaticContact NE2-CZ 3.68Å; H9-Y138 PolarHBondContact NE2-OH 3.17Å
10N98.7Very high97.6Very high20 Ų2061.4 Ų61.411%0.10731%0.309CS..Hα-helixtrans-73.4-28.3-174.7-74.7-22.8000112.8I6 A7 Q14 L32 L33I6-N10 WeakPolarHBondContact CG2-ND2 3.46Å; I6-N10 VanDerWaalsContact O-CB 3.25Å; I6-N10 WeakPolarHBondContact O-CB 3.5Å; I6-N10 PolarHBondContact O-N 3.49Å; I6-N10 PolarHBondContact O-ND2 3.34Å; A7-N10 PolarHBondContact O-N 3.21Å; N10-Q14 VanDerWaalsContact O-CB 3.23Å; N10-Q14 WeakPolarHBondContact O-CB 3.48Å; N10-Q14 PolarHBondContact O-N 3.4Å; N10-L32 HydrophobicContact CB-CD2 3.87Å; N10-L32 WeakPolarHBondContact OD1-CA 3.36Å; N10-L33 PolarHBondContact ND2-O 3.36Å; N10-L33 PolarHBondContact OD1-N 3.38Å
11V98.3Very high97.6Very high95 Ų9559 Ų5958%0.57630%0.297SS*.Hα-helixtrans-62.2-46.4169.8165.50000111.2A7 H9 Q14 A15A7-V11 WeakPolarHBondContact O-CB 3.22Å; A7-V11 VanDerWaalsContact O-CG2 3.24Å; A7-V11 WeakPolarHBondContact O-CG2 3.13Å; A7-V11 PolarHBondContact O-N 3.45Å; H9-V11 PolarHBondContact O-N 2.96Å; V11-Q14 PolarHBondContact O-N 2.96Å; V11-A15 WeakPolarHBondContact O-CB 3.28Å; V11-A15 PolarHBondContact O-N 3.23Å
12V98.5Very high98Very high8 Ų858.6 Ų58.65%0.04830%0.303CS..Hα-helixtrans-64.8-43.7178.8175.30000111.2M8 H9 Q14 A15 V16 F82 F86 Y107 I111M8-V12 PolarHBondContact O-N 3.03Å; H9-V12 PolarHBondContact O-N 3.38Å; V12-Q14 PolarHBondContact O-N 3.1Å; V12-A15 WeakPolarHBondContact O-CB 3.45Å; V12-A15 PolarHBondContact O-N 2.76Å; V12-V16 PolarHBondContact O-N 3.37Å; V12-F82 HydrophobicContact CG2-CE1 3.7Å; V12-F82 HydrophobicContact CG2-CZ 3.89Å; V12-F86 HydrophobicContact CB-CD2 4.37Å; V12-F86 HydrophobicContact CG1-CD2 3.8Å; V12-F86 HydrophobicContact CG1-CE2 4.03Å; V12-F86 HydrophobicContact CG2-CD2 3.61Å; V12-F86 HydrophobicContact CG2-CE2 4.07Å; V12-F86 HydrophobicContact CG2-CG 4.36Å; V12-Y107 HydrophobicContact CG1-CE2 4.43Å; V12-I111 HydrophobicContact CG1-CG2 3.6Å
13R98.7Very high97.9Very high0 Ų055.9 Ų55.90%032%0.317CS..Hα-helixtrans-63.4-40.8177.8-72.6177.975.385.8-4.7112.2H9 A15 V16 K17 M30 N31 L33 L110 W112 T115H9-R13 WeakPolarHBondContact O-CG 3.13Å; H9-R13 PolarHBondContact O-N 3.06Å; R13-A15 VanDerWaalsContact C-N 3.35Å; R13-V16 PolarHBondContact O-N 2.71Å; R13-K17 WeakPolarHBondContact O-CB 3.14Å; R13-K17 PolarHBondContact O-N 2.77Å; R13-M30 HydrophobicContact CB-CG 3.69Å; R13-M30 HydrophobicContact CB-SD 4.39Å; R13-M30 HydrophobicContact CG-CG 4.13Å; R13-M30 HydrophobicContact CG-SD 4.18Å; R13-M30 VanDerWaalsContact O-CG 3.26Å; R13-M30 WeakPolarHBondContact O-CG 3.39Å; R13-N31 PolarHBondContact NE-O 3.03Å; R13-N31 PolarHBondContact NH2-O 3.13Å; R13-L33 VanDerWaalsContact CZ-CD2 3.5Å; R13-L110 WeakPolarHBondContact CD-O 3.35Å; R13-L110 VanDerWaalsContact CG-O 3.29Å; R13-L110 WeakPolarHBondContact CG-O 3.27Å; R13-L110 PolarHBondContact NH1-O 3.41Å; R13-L110 VanDerWaalsContact NH1-O 3.09Å; R13-W112 PolarHBondContact NH1-O 3.23Å; R13-W112 PolarHBondContact NH2-O 3.31Å; R13-T115 PolarHBondContact NH2-O 2.75Å
14Q98.6Very high98Very high100 Ų10052 Ų5247%0.46730%0.296SS..Hα-helixtrans-66.7-37.8174.5-168.5167.842.600111.8N10 V11 V12 V16 K17 Y18N10-Q14 VanDerWaalsContact O-CB 3.23Å; N10-Q14 WeakPolarHBondContact O-CB 3.48Å; N10-Q14 PolarHBondContact O-N 3.4Å; V11-Q14 PolarHBondContact O-N 2.96Å; V12-Q14 PolarHBondContact O-N 3.1Å; Q14-V16 PolarHBondContact O-N 3.43Å; Q14-K17 WeakPolarHBondContact O-CB 3.43Å; Q14-K17 PolarHBondContact O-N 3.18Å; Q14-Y18 HydrophobicContact CG-CD2 3.69Å; Q14-Y18 HydrophobicContact CG-CE2 3.52Å; Q14-Y18 VanDerWaalsContact O-CD2 3.22Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.48Å; Q14-Y18 PolarHBondContact O-N 2.83Å
15A98.5Very high98.1Very high15 Ų1546.2 Ų46.212%0.12428%0.278CS..Hα-helixtrans-62.6-42.6176.100000112.2V11 V12 R13 Y18 G19 L20 I21V11-A15 WeakPolarHBondContact O-CB 3.28Å; V11-A15 PolarHBondContact O-N 3.23Å; V12-A15 WeakPolarHBondContact O-CB 3.45Å; V12-A15 PolarHBondContact O-N 2.76Å; R13-A15 VanDerWaalsContact C-N 3.35Å; A15-Y18 PolarHBondContact O-N 2.95Å; A15-G19 PolarHBondContact O-N 3.13Å; A15-L20 HydrophobicContact CB-CB 4.13Å; A15-L20 WeakPolarHBondContact O-CB 3.47Å; A15-L20 PolarHBondContact O-N 3.26Å; A15-I21 HydrophobicContact CB-CD1 3.45Å; A15-I21 VanDerWaalsContact CB-CD1 3.45Å; A15-I21 HydrophobicContact CB-CG1 3.93Å
16V98.2Very high98.1Very high1 Ų150.3 Ų50.31%0.00630%0.297CS..Hα-helixtrans-67.4-37173.2176.20000111.7V12 R13 Q14 Y18 G19 I21 A27 M30 I111 Y150V12-V16 PolarHBondContact O-N 3.37Å; R13-V16 PolarHBondContact O-N 2.71Å; Q14-V16 PolarHBondContact O-N 3.43Å; V16-Y18 PolarHBondContact O-N 3.46Å; V16-G19 PolarHBondContact O-N 3.02Å; V16-I21 HydrophobicContact CG2-CB 4.46Å; V16-I21 HydrophobicContact CG2-CG1 3.67Å; V16-A27 HydrophobicContact CG1-CB 3.79Å; V16-A27 PolarHBondContact O-N 2.9Å; V16-M30 HydrophobicContact CG1-CE 4.11Å; V16-I111 HydrophobicContact CB-CG2 4.36Å; V16-I111 HydrophobicContact CG2-CB 4.24Å; V16-I111 HydrophobicContact CG2-CG2 3.55Å; V16-Y150 HydrophobicContact CG1-CD1 3.94Å; V16-Y150 HydrophobicContact CG1-CD2 4.47Å; V16-Y150 HydrophobicContact CG1-CE1 3.52Å; V16-Y150 HydrophobicContact CG1-CE2 4.08Å; V16-Y150 HydrophobicContact CG1-CG 4.41Å
17K98.4Very high98.1Very high51 Ų5148.1 Ų48.122%0.22229%0.286CS..Hα-helixtrans-57.9-30.5176.9-178.355.4-154.1135.60113.5R13 Q14 E26 A27 R28 M30R13-K17 WeakPolarHBondContact O-CB 3.14Å; R13-K17 PolarHBondContact O-N 2.77Å; Q14-K17 WeakPolarHBondContact O-CB 3.43Å; Q14-K17 PolarHBondContact O-N 3.18Å; K17-E26 IonicContact NZ-OE1 3.49Å; K17-E26 WeakPolarHBondContact O-CG 3.48Å; K17-A27 PolarHBondContact NZ-O 3.05Å; K17-R28 PolarHBondContact NZ-O 3.23Å; K17-M30 HydrophobicContact CB-CB 4Å; K17-M30 HydrophobicContact CD-CB 4.25Å
18Y98Very high98.1Very high136 Ų13652.2 Ų52.253%0.53329%0.29SS..THydrogen-bonded Turntrans-112.516.5-177.7-63.8-62.3000113.3Q14 A15 V16 L20Q14-Y18 HydrophobicContact CG-CD2 3.69Å; Q14-Y18 HydrophobicContact CG-CE2 3.52Å; Q14-Y18 VanDerWaalsContact O-CD2 3.22Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.48Å; Q14-Y18 PolarHBondContact O-N 2.83Å; A15-Y18 PolarHBondContact O-N 2.95Å; V16-Y18 PolarHBondContact O-N 3.46Å; Y18-L20 VanDerWaalsContact C-N 3.26Å; Y18-L20 PolarHBondContact O-N 3.26Å
19G97.7Very high98Very high35 Ų3555.7 Ų55.736%0.36131%0.305SS..THydrogen-bonded Turntrans63.428.5175.700000114.3A15 V16A15-G19 PolarHBondContact O-N 3.13Å; V16-G19 PolarHBondContact O-N 3.02Å
20L98.3Very high98Very high122 Ų12256.2 Ų56.264%0.63931%0.308SS*.  trans-88.7-5.9-175.9-57.5178.8000113.5A15 Y18 P22A15-L20 HydrophobicContact CB-CB 4.13Å; A15-L20 WeakPolarHBondContact O-CB 3.47Å; A15-L20 PolarHBondContact O-N 3.26Å; Y18-L20 VanDerWaalsContact C-N 3.26Å; Y18-L20 PolarHBondContact O-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.4Å
21I97.8Very high97.9Very high12 Ų1260.3 Ų60.36%0.06233%0.33CS..SBendtrans-91.2117.4176.9-54.8-53.2000109.2A15 V16 G23 Q24 F86A15-I21 HydrophobicContact CB-CD1 3.45Å; A15-I21 VanDerWaalsContact CB-CD1 3.45Å; A15-I21 HydrophobicContact CB-CG1 3.93Å; V16-I21 HydrophobicContact CG2-CB 4.46Å; V16-I21 HydrophobicContact CG2-CG1 3.67Å; I21-G23 PolarHBondContact O-N 2.83Å; I21-Q24 HydrophobicContact CB-CB 4.07Å; I21-Q24 HydrophobicContact CB-CG 4.07Å; I21-Q24 HydrophobicContact CG2-CB 4.15Å; I21-Q24 HydrophobicContact CG2-CG 3.57Å; I21-Q24 PolarHBondContact O-N 3.34Å; I21-Q24 VanDerWaalsContact O-N 3.13Å; I21-F86 HydrophobicContact CD1-CE2 3.6Å; I21-F86 HydrophobicContact CD1-CZ 3.66Å; I21-F86 HydrophobicContact CG1-CE2 4.48Å
22P96.7Very high97.9Very high120 Ų12060.4 Ų60.478%0.77933%0.327SS*.THydrogen-bonded Turntrans-54.5134.4179.8-27.335.6000112.7L20 Q24L20-P22 WeakPolarHBondContact O-CD 3.4Å; P22-Q24 PolarHBondContact O-N 3.01Å
23G95.7Very high97.9Very high76 Ų7660.2 Ų60.278%0.78433%0.326SS*.THydrogen-bonded Turntrans77.61.2179.200000115.3I21I21-G23 PolarHBondContact O-N 2.83Å
24Q97.7Very high97.9Very high15 Ų1567.2 Ų67.27%0.0736%0.356CS..  trans-116.1131-178.9-54-63.3-34.400110I21 P22 S89 Y92I21-Q24 HydrophobicContact CB-CB 4.07Å; I21-Q24 HydrophobicContact CB-CG 4.07Å; I21-Q24 HydrophobicContact CG2-CB 4.15Å; I21-Q24 HydrophobicContact CG2-CG 3.57Å; I21-Q24 PolarHBondContact O-N 3.34Å; I21-Q24 VanDerWaalsContact O-N 3.13Å; P22-Q24 PolarHBondContact O-N 3.01Å; Q24-S89 PolarHBondContact NE2-O 2.92Å; Q24-Y92 PolarHBondContact NE2-O 3.2Å
25P98Very high97.9Very high39 Ų3965.5 Ų65.525%0.25335%0.345SS..PPolyproline II helixtrans-68.4159.1177.227.5-33.6000112.2A27 Y94 Y150 T152P25-A27 PolarHBondContact O-N 3.47Å; P25-Y94 HydrophobicContact CG-CD1 3.34Å; P25-Y94 HydrophobicContact CG-CD2 4.06Å; P25-Y94 HydrophobicContact CG-CE1 3.63Å; P25-Y94 HydrophobicContact CG-CE2 4.29Å; P25-Y94 HydrophobicContact CG-CG 3.59Å; P25-Y150 WeakPolarHBondContact CD-OH 3.25Å; P25-Y150 HydrophobicContact CG-CE2 4.17Å; P25-Y150 WeakPolarHBondContact O-CE2 3.48Å; P25-Y150 PolarHBondContact O-OH 3.4Å; P25-Y150 VanDerWaalsContact O-OH 3.06Å; P25-T152 HydrophobicContact CB-CG2 3.61Å; P25-T152 HydrophobicContact CG-CG2 3.44Å; P25-T152 VanDerWaalsContact CG-CG2 3.44Å
26E98.5Very high97.9Very high88 Ų8866.2 Ų66.241%0.41135%0.347SS..PPolyproline II helixtrans-62.2129.8172.8-171.4-176.1148.500110.8K17 T152 A153K17-E26 IonicContact NZ-OE1 3.49Å; K17-E26 WeakPolarHBondContact O-CG 3.48Å; E26-T152 VanDerWaalsContact O-CA 3.31Å; E26-T152 WeakPolarHBondContact O-CA 3.23Å; E26-A153 HydrophobicContact CB-CB 4.4Å; E26-A153 HydrophobicContact CG-CB 4.39Å; E26-A153 PolarHBondContact O-N 2.03Å
27A98.5Very high97.9Very high0 Ų070.9 Ų70.90%038%0.375CS..BIsolated β-bridgetrans-73.7133.2172.800000111.8V16 K17 P25 H29 M30 Y150V16-A27 HydrophobicContact CG1-CB 3.79Å; V16-A27 PolarHBondContact O-N 2.9Å; K17-A27 PolarHBondContact NZ-O 3.05Å; P25-A27 PolarHBondContact O-N 3.47Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.49Å; A27-M30 HydrophobicContact CB-CB 4.22Å; A27-M30 HydrophobicContact CB-CE 4.01Å; A27-Y150 HydrophobicContact CB-CD2 3.46Å; A27-Y150 VanDerWaalsContact CB-CD2 3.46Å; A27-Y150 HydrophobicContact CB-CE2 3.92Å; A27-Y150 HydrophobicContact CB-CG 3.88Å
28R98.1Very high97.9Very high140 Ų14073 Ų7353%0.52839%0.386SS..SBendtrans-58-46.6170.8-168.3-179165.5157.21.9111.1K17 R151 T152K17-R28 PolarHBondContact NZ-O 3.23Å; R28-R151 HydrophobicContact CB-CB 4.39Å; R28-R151 WeakPolarHBondContact CB-O 3.46Å; R28-R151 PolarHBondContact N-O 2.9Å; R28-T152 WeakPolarHBondContact CB-O 3.48Å
29H96.6Very high98Very high96 Ų9666.5 Ų66.544%0.44436%0.361SS..  trans-139.3138.7178.6-60.4-63.5000109.8A27A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.49Å
30M98.4Very high98Very high12 Ų1265.4 Ų65.46%0.05935%0.348CS..  trans-156.787.9175-17061.663.700108.8R13 V16 K17 A27 I111 E113 Y150R13-M30 HydrophobicContact CB-CG 3.69Å; R13-M30 HydrophobicContact CB-SD 4.39Å; R13-M30 HydrophobicContact CG-CG 4.13Å; R13-M30 HydrophobicContact CG-SD 4.18Å; R13-M30 VanDerWaalsContact O-CG 3.26Å; R13-M30 WeakPolarHBondContact O-CG 3.39Å; V16-M30 HydrophobicContact CG1-CE 4.11Å; K17-M30 HydrophobicContact CB-CB 4Å; K17-M30 HydrophobicContact CD-CB 4.25Å; A27-M30 HydrophobicContact CB-CB 4.22Å; A27-M30 HydrophobicContact CB-CE 4.01Å; M30-I111 HydrophobicContact CE-CB 4.4Å; M30-I111 WeakPolarHBondContact CE-O 3.29Å; M30-E113 HydrophobicContact CE-CB 4.23Å; M30-E113 HydrophobicContact SD-CB 4.47Å; M30-Y150 HydrophobicContact CE-CD1 3.88Å; M30-Y150 HydrophobicContact CE-CG 3.9Å
31N96.7Very high98Very high106 Ų10665.2 Ų65.257%0.56734%0.342SS*.PPolyproline II helixtrans-69.4146.3-177.6-68.9-29000110.8R13R13-N31 PolarHBondContact NE-O 3.03Å; R13-N31 PolarHBondContact NH2-O 3.13Å
32L98.4Very high98.1Very high96 Ų9668 Ų6850%0.50335%0.354SS..PPolyproline II helixtrans-66.1141.3171.9-58.5-171.3000110.5N10N10-L32 HydrophobicContact CB-CD2 3.87Å; N10-L32 WeakPolarHBondContact OD1-CA 3.36Å
33L98.7Very high98.2Very high5 Ų562.3 Ų62.33%0.02632%0.317CS..PPolyproline II helixtrans-75.3145.8176.1-57.8-175.9000110.9H9 N10 R13 T115 T116 F118 Y138H9-L33 HydrophobicContact CB-CD1 4.16Å; N10-L33 PolarHBondContact ND2-O 3.36Å; N10-L33 PolarHBondContact OD1-N 3.38Å; R13-L33 VanDerWaalsContact CZ-CD2 3.5Å; L33-T115 HydrophobicContact CD2-CG2 3.76Å; L33-T115 WeakPolarHBondContact CD2-O 3.37Å; L33-T116 WeakPolarHBondContact CA-O 3.16Å; L33-F118 HydrophobicContact CB-CD1 3.57Å; L33-F118 HydrophobicContact CB-CE1 3.92Å; L33-F118 HydrophobicContact CB-CG 4.37Å; L33-F118 HydrophobicContact CD1-CB 4.16Å; L33-F118 HydrophobicContact CD1-CD1 4.03Å; L33-F118 HydrophobicContact CD1-CG 3.99Å; L33-F118 HydrophobicContact CG-CD1 4.43Å; L33-Y138 HydrophobicContact CD1-CD1 4.39Å; L33-Y138 HydrophobicContact CD1-CE1 4.43Å
34K98.4Very high98.3Very high146 Ų14661.6 Ų61.664%0.63529%0.293SS*.EExtended strand (participates in β ladder)trans-106.2144.7173.9-58.9174.6-167.3171.80109.7N36 T116 D117 F118K34-N36 PolarHBondContact O-N 3.09Å; K34-T116 PolarHBondContact N-O 3.22Å; K34-D117 WeakPolarHBondContact O-CA 3.39Å; K34-F118 WeakPolarHBondContact O-CD1 3.38Å; K34-F118 PolarHBondContact O-N 2.79Å
35W98.7Very high98.3Very high64 Ų6464.9 Ų64.924%0.24231%0.311CS..EExtended strand (participates in β ladder)trans-72.8130174.7-174.6-93.3000110.9R2 F5 I6 A40 F118 C120R2-W35 HydrophobicContact CB-CH2 4.46Å; R2-W35 HydrophobicContact CB-CZ2 4.37Å; R2-W35 HydrophobicContact CG-CB 4.42Å; R2-W35 HydrophobicContact CG-CD2 3.53Å; R2-W35 HydrophobicContact CG-CE3 3.8Å; R2-W35 HydrophobicContact CG-CG 3.83Å; R2-W35 HydrophobicContact CG-CH2 4.33Å; R2-W35 HydrophobicContact CG-CZ2 4.11Å; R2-W35 HydrophobicContact CG-CZ3 4.2Å; F5-W35 HydrophobicContact CB-CZ3 3.94Å; F5-W35 HydrophobicContact CD2-CH2 4.27Å; F5-W35 HydrophobicContact CD2-CZ3 4.21Å; F5-W35 HydrophobicContact CG-CZ3 4.36Å; I6-W35 HydrophobicContact CD1-CB 3.97Å; I6-W35 HydrophobicContact CG1-CB 4.35Å; I6-W35 HydrophobicContact CG1-CE3 4.37Å; W35-A40 HydrophobicContact CH2-CB 4.01Å; W35-A40 HydrophobicContact CZ2-CB 3.25Å; W35-F118 CarbonylContact C-O 3.53Å; W35-F118 WeakPolarHBondContact CA-O 3.4Å; W35-F118 HydrophobicContact CE3-CE1 4.18Å; W35-F118 HydrophobicContact CE3-CE2 4.32Å; W35-F118 AromaticContact CE3-CZ 3.93Å; W35-F118 HydrophobicContact CE3-CZ 3.93Å; W35-F118 HydrophobicContact CZ3-CE2 4.28Å; W35-F118 HydrophobicContact CZ3-CZ 4.27Å; W35-C120 HydrophobicContact CH2-CB 4.11Å; W35-C120 WeakPolarHBondContact CH2-O 3.37Å; W35-C120 HydrophobicContact CZ3-CB 4.21Å
36N98.7Very high98.4Very high31 Ų3163.4 Ų63.417%0.16630%0.301CS..  trans-116.1117.5175.2-175.4-57.3000109.9K34 E38 L39 A40 D117 F118K34-N36 PolarHBondContact O-N 3.09Å; N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 3.34Å; N36-E38 PolarHBondContact OD1-N 3.21Å; N36-L39 HydrophobicContact CB-CB 4.15Å; N36-L39 HydrophobicContact CB-CD1 3.92Å; N36-L39 HydrophobicContact CB-CG 4.04Å; N36-L39 PolarHBondContact O-N 3.49Å; N36-L39 PolarHBondContact OD1-N 3.28Å; N36-L39 VanDerWaalsContact OD1-N 3.12Å; N36-A40 WeakPolarHBondContact O-CB 3.37Å; N36-A40 PolarHBondContact O-N 2.94Å; N36-D117 HydrophobicContact CB-CB 3.96Å; N36-D117 PolarHBondContact ND2-OD1 3.34Å; N36-F118 PolarHBondContact N-O 2.8Å
37T98.4Very high98.4Very high98 Ų9859.2 Ų59.260%0.60128%0.281SS*.Hα-helixtrans-64.2-34.1-174.8-56.70000112.9A40 K41T37-A40 PolarHBondContact O-N 2.94Å; T37-K41 WeakPolarHBondContact O-CB 3.46Å; T37-K41 PolarHBondContact O-N 3.24Å
38E98.5Very high98.4Very high96 Ų9663.3 Ų63.345%0.44930%0.303SS..Hα-helixtrans-73.9-40.2179.6-65.7-55.4131.700111.5N36 A40 K41 K42 I62N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 3.34Å; N36-E38 PolarHBondContact OD1-N 3.21Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.91Å; E38-K41 PolarHBondContact O-N 3.13Å; E38-K42 WeakPolarHBondContact O-CG 2.99Å; E38-K42 PolarHBondContact O-N 3.29Å; E38-I62 HydrophobicContact CB-CB 4.48Å; E38-I62 HydrophobicContact CB-CD1 3.83Å; E38-I62 HydrophobicContact CB-CG2 4.14Å
39L98.8Very high98.4Very high0 Ų061.2 Ų61.20%030%0.299CS..Hα-helixtrans-59.5-43.2171.3-69-179000111.2N36 K42 A43 I62 F65 V68 D117 N137N36-L39 HydrophobicContact CB-CB 4.15Å; N36-L39 HydrophobicContact CB-CD1 3.92Å; N36-L39 HydrophobicContact CB-CG 4.04Å; N36-L39 PolarHBondContact O-N 3.49Å; N36-L39 PolarHBondContact OD1-N 3.28Å; N36-L39 VanDerWaalsContact OD1-N 3.12Å; L39-K42 PolarHBondContact O-N 2.82Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.72Å; L39-I62 HydrophobicContact CD2-CD1 3.48Å; L39-I62 VanDerWaalsContact CD2-CD1 3.48Å; L39-I62 HydrophobicContact CD2-CG1 3.79Å; L39-I62 HydrophobicContact CG-CD1 3.57Å; L39-I62 HydrophobicContact CG-CG1 4.42Å; L39-F65 HydrophobicContact CD1-CE2 4.17Å; L39-F65 HydrophobicContact CD2-CD2 4.46Å; L39-V68 HydrophobicContact CD2-CG1 3.73Å; L39-V68 HydrophobicContact CD2-CG2 3.98Å; L39-D117 HydrophobicContact CD1-CB 4.09Å; L39-N137 HydrophobicContact CB-CB 4.16Å; L39-N137 HydrophobicContact CD2-CB 4.13Å; L39-N137 PolarHBondContact O-ND2 2.98Å
40A98.8Very high98.4Very high11 Ų1158.8 Ų58.89%0.09129%0.293CS..Hα-helixtrans-65.4-41.1178.100000112.5W35 N36 T37 E38 A43 Q44W35-A40 HydrophobicContact CH2-CB 4.01Å; W35-A40 HydrophobicContact CZ2-CB 3.25Å; N36-A40 WeakPolarHBondContact O-CB 3.37Å; N36-A40 PolarHBondContact O-N 2.94Å; T37-A40 PolarHBondContact O-N 2.94Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.91Å; A40-A43 PolarHBondContact O-N 3.49Å; A40-Q44 WeakPolarHBondContact O-CB 3.49Å; A40-Q44 PolarHBondContact O-N 3.33Å
41K98.6Very high98.3Very high118 Ų11863.2 Ų63.251%0.51331%0.313SS..Hα-helixtrans-62.5-44.7176.1-177.6-179.9177.7-176.70111.4T37 E38 Q44 N45T37-K41 WeakPolarHBondContact O-CB 3.46Å; T37-K41 PolarHBondContact O-N 3.24Å; E38-K41 PolarHBondContact O-N 3.13Å; K41-Q44 PolarHBondContact O-N 2.9Å; K41-N45 WeakPolarHBondContact O-CB 3.26Å; K41-N45 PolarHBondContact O-N 2.67Å; K41-N45 PolarHBondContact O-OD1 3.24Å
42K98.6Very high98.3Very high71 Ų7163.8 Ų63.831%0.30932%0.316SS..Hα-helixtrans-60.6-44.9173.5-71.3-68.3-163.1160.10111.6E38 L39 Q44 N45 F46 E59 I62E38-K42 WeakPolarHBondContact O-CG 2.99Å; E38-K42 PolarHBondContact O-N 3.29Å; L39-K42 PolarHBondContact O-N 2.82Å; K42-Q44 PolarHBondContact O-N 3.16Å; K42-N45 PolarHBondContact O-N 3.48Å; K42-F46 PolarHBondContact O-N 2.88Å; K42-F46 VanDerWaalsContact O-N 3.09Å; K42-E59 WeakPolarHBondContact CD-O 3.26Å; K42-E59 WeakPolarHBondContact CE-O 3.5Å; K42-E59 PolarHBondContact NZ-O 3.03Å; K42-I62 HydrophobicContact CG-CG2 3.83Å
43A98.8Very high98.1Very high0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-62.3-42178.100000112.2L39 A40 F46 S47 I135 N137L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.72Å; A40-A43 PolarHBondContact O-N 3.49Å; A43-F46 PolarHBondContact O-N 3.04Å; A43-S47 WeakPolarHBondContact O-CB 3.4Å; A43-S47 PolarHBondContact O-N 2.82Å; A43-I135 HydrophobicContact CB-CB 3.99Å; A43-I135 HydrophobicContact CB-CG2 3.8Å; A43-N137 PolarHBondContact N-ND2 3.12Å
44Q98.7Very high98.1Very high61 Ų6164.6 Ų64.629%0.28532%0.322SS..Hα-helixtrans-66.4-45.6176.7-172.5655100111.7A40 K41 K42 F46 S47 D48 G121 V122 T123A40-Q44 WeakPolarHBondContact O-CB 3.49Å; A40-Q44 PolarHBondContact O-N 3.33Å; K41-Q44 PolarHBondContact O-N 2.9Å; K42-Q44 PolarHBondContact O-N 3.16Å; Q44-F46 PolarHBondContact O-N 2.88Å; Q44-S47 WeakPolarHBondContact CA-OG 3.19Å; Q44-S47 PolarHBondContact NE2-OG 3.46Å; Q44-S47 PolarHBondContact O-N 2.71Å; Q44-S47 VanDerWaalsContact O-N 3.15Å; Q44-S47 PolarHBondContact O-OG 2.95Å; Q44-D48 PolarHBondContact NE2-OD1 3.27Å; Q44-D48 WeakPolarHBondContact O-CB 3.24Å; Q44-D48 PolarHBondContact O-N 3.25Å; Q44-G121 VanDerWaalsContact OE1-CA 3.29Å; Q44-V122 PolarHBondContact NE2-O 3.25Å; Q44-V122 PolarHBondContact OE1-O 3.38Å; Q44-T123 PolarHBondContact NE2-OG1 3.33Å; Q44-T123 VanDerWaalsContact NE2-OG1 3.14Å
45N98.6Very high98Very high85 Ų8558.4 Ų58.446%0.45530%0.296SS..Hα-helixtrans-57.7-34.9177-73-4.3000112.1K41 K42 Q49K41-N45 WeakPolarHBondContact O-CB 3.26Å; K41-N45 PolarHBondContact O-N 2.67Å; K41-N45 PolarHBondContact O-OD1 3.24Å; K42-N45 PolarHBondContact O-N 3.48Å; N45-Q49 WeakPolarHBondContact O-CG 3.34Å
46F98.6Very high98Very high7 Ų762.2 Ų62.23%0.03131%0.314CS..Hα-helixtrans-78.9-41.2175.6-177.3-131.7000112.4K42 A43 Q44 D48 Q49 Q51 G53 D55 I135K42-F46 PolarHBondContact O-N 2.88Å; K42-F46 VanDerWaalsContact O-N 3.09Å; A43-F46 PolarHBondContact O-N 3.04Å; Q44-F46 PolarHBondContact O-N 2.88Å; F46-D48 PolarHBondContact O-N 3.38Å; F46-Q49 WeakPolarHBondContact O-CB 3.47Å; F46-Q49 PolarHBondContact O-N 3.42Å; F46-Q51 HydrophobicContact CE2-CB 4.32Å; F46-G53 VanDerWaalsContact CE1-O 3.29Å; F46-G53 WeakPolarHBondContact CE1-O 3.5Å; F46-G53 WeakPolarHBondContact CZ-O 3.36Å; F46-D55 HydrophobicContact CD1-CB 4Å; F46-D55 HydrophobicContact CD2-CB 3.78Å; F46-D55 HydrophobicContact CE1-CB 3.99Å; F46-D55 VanDerWaalsContact CE1-N 3.3Å; F46-D55 HydrophobicContact CE2-CB 3.77Å; F46-D55 HydrophobicContact CG-CB 3.91Å; F46-D55 HydrophobicContact CZ-CB 3.89Å; F46-I135 HydrophobicContact CD1-CD1 3.56Å; F46-I135 HydrophobicContact CD1-CG1 3.87Å; F46-I135 HydrophobicContact CD1-CG2 4.19Å; F46-I135 HydrophobicContact CE1-CD1 3.76Å
47S98.3Very high97.9Very high0 Ų064.5 Ų64.50%033%0.326CS..Hα-helixtrans-57.7-37176.770.50000111.6A43 Q44 Q49 C50 V122 T123 N133A43-S47 WeakPolarHBondContact O-CB 3.4Å; A43-S47 PolarHBondContact O-N 2.82Å; Q44-S47 WeakPolarHBondContact CA-OG 3.19Å; Q44-S47 PolarHBondContact NE2-OG 3.46Å; Q44-S47 PolarHBondContact O-N 2.71Å; Q44-S47 VanDerWaalsContact O-N 3.15Å; Q44-S47 PolarHBondContact O-OG 2.95Å; S47-Q49 PolarHBondContact O-N 3.48Å; S47-C50 PolarHBondContact O-N 2.96Å; S47-C50 VanDerWaalsContact O-N 3.16Å; S47-V122 PolarHBondContact OG-N 3.48Å; S47-T123 WeakPolarHBondContact CB-OG1 3.26Å; S47-T123 WeakPolarHBondContact O-CB 3.25Å; S47-T123 PolarHBondContact O-OG1 3.01Å; S47-T123 PolarHBondContact OG-OG1 3.46Å; S47-N133 WeakPolarHBondContact CA-ND2 3.42Å; S47-N133 PolarHBondContact O-ND2 2.85Å
48D98.5Very high97.8Very high86 Ų8666.6 Ų66.646%0.4633%0.329SS..THydrogen-bonded Turntrans-63.8-21.3178.2-70.8-19.3000114Q44 F46 C50 T123Q44-D48 PolarHBondContact NE2-OD1 3.27Å; Q44-D48 WeakPolarHBondContact O-CB 3.24Å; Q44-D48 PolarHBondContact O-N 3.25Å; F46-D48 PolarHBondContact O-N 3.38Å; D48-C50 PolarHBondContact O-N 3.48Å; D48-T123 WeakPolarHBondContact CA-OG1 3.44Å; D48-T123 PolarHBondContact N-OG1 2.9Å; D48-T123 VanDerWaalsContact N-OG1 3.14Å; D48-T123 PolarHBondContact OD1-OG1 3.38Å
49Q98Very high97.8Very high96 Ų9666.6 Ų66.645%0.44933%0.329SS..THydrogen-bonded Turntrans-75.6-15.1177.9-58.6-175.220.800112.8N45 F46 S47 Q51N45-Q49 WeakPolarHBondContact O-CG 3.34Å; F46-Q49 WeakPolarHBondContact O-CB 3.47Å; F46-Q49 PolarHBondContact O-N 3.42Å; S47-Q49 PolarHBondContact O-N 3.48Å; Q49-Q51 VanDerWaalsContact C-N 3.27Å; Q49-Q51 HydrophobicContact CB-CG 4.13Å; Q49-Q51 PolarHBondContact O-N 3.36Å; Q49-Q51 VanDerWaalsContact OE1-NE2 3.08Å
50C97.8Very high97.7Very high45 Ų4567 Ų6730%0.30433%0.33SS..  trans48.751.1-177.3-65.60000111.8S47 D48 C125 M128S47-C50 PolarHBondContact O-N 2.96Å; S47-C50 VanDerWaalsContact O-N 3.16Å; D48-C50 PolarHBondContact O-N 3.48Å; C50-C125 WeakPolarHBondContact CA-SG 3.38Å; C50-C125 HydrophobicContact CB-CB 3.68Å; C50-C125 WeakPolarHBondContact CB-SG 3.42Å; C50-C125 WeakPolarHBondContact SG-CA 3.36Å; C50-C125 WeakPolarHBondContact SG-CB 3.46Å; C50-C125 CovalentContact SG-SG 2.03Å; C50-C125 PolarHBondContact SG-SG 2.93Å; C50-M128 VanDerWaalsContact C-CE 3.41Å; C50-M128 HydrophobicContact CB-CE 4.34Å; C50-M128 HydrophobicContact CB-SD 4.43Å; C50-M128 WeakPolarHBondContact O-CE 3.41Å
51Q96.4Very high97.7Very high105 Ų10572.3 Ų72.349%0.49135%0.352SS..  trans-108.6150.9172.7-65.8-179.330.100109.8F46 Q49F46-Q51 HydrophobicContact CE2-CB 4.32Å; Q49-Q51 VanDerWaalsContact C-N 3.27Å; Q49-Q51 HydrophobicContact CB-CG 4.13Å; Q49-Q51 PolarHBondContact O-N 3.36Å; Q49-Q51 VanDerWaalsContact OE1-NE2 3.08Å
52L95.6Very high97.7Very high118 Ų11867.3 Ų67.362%0.61833%0.33SS*.SBendtrans-83.6141.7178.2-58.4179.2000110.6W72 L74 M128L52-W72 HydrophobicContact CB-CH2 4.12Å; L52-W72 HydrophobicContact CB-CZ2 4.04Å; L52-W72 HydrophobicContact CD2-CH2 3.88Å; L52-W72 HydrophobicContact CD2-CZ2 3.64Å; L52-W72 HydrophobicContact CG-CZ2 4.46Å; L52-L74 HydrophobicContact CD2-CD2 3.86Å; L52-M128 HydrophobicContact CD2-CE 3.63Å; L52-M128 HydrophobicContact CD2-SD 4.18Å; L52-M128 HydrophobicContact CG-CE 4.05Å
53G95.4Very high97.6Very high19 Ų1969.9 Ų69.920%0.19635%0.354CS..SBendtrans83.4-146.3174.500000113.6F46 W72F46-G53 VanDerWaalsContact CE1-O 3.29Å; F46-G53 WeakPolarHBondContact CE1-O 3.5Å; F46-G53 WeakPolarHBondContact CZ-O 3.36Å; G53-W72 VanDerWaalsContact O-CG 3.29Å
54H97Very high97.5Very high100 Ų10073.7 Ų73.746%0.46339%0.393SS..PPolyproline II helixtrans-103.5147.3-171.2-64.8-75.9000112.4Q70H54-Q70 VanDerWaalsContact CA-OE1 3.31Å; H54-Q70 PolarHBondContact CE1-O 2.95Å; H54-Q70 VanDerWaalsContact CE1-O 3.29Å; H54-Q70 PolarHBondContact ND1-OE1 3.03Å
55D97.5Very high97.4Very high16 Ų1672.1 Ų72.19%0.08639%0.386CS..PPolyproline II helixtrans-74.1170.1162.164.5-9.5000110.5F46 E59 R60 Q70F46-D55 HydrophobicContact CD1-CB 4Å; F46-D55 HydrophobicContact CD2-CB 3.78Å; F46-D55 HydrophobicContact CE1-CB 3.99Å; F46-D55 VanDerWaalsContact CE1-N 3.3Å; F46-D55 HydrophobicContact CE2-CB 3.77Å; F46-D55 HydrophobicContact CG-CB 3.91Å; F46-D55 HydrophobicContact CZ-CB 3.89Å; D55-E59 HydrophobicContact CB-CB 4.23Å; D55-E59 WeakPolarHBondContact CB-OE2 3.4Å; D55-R60 PolarHBondContact O-NH1 2.78Å; D55-R60 WeakPolarHBondContact OD1-CD 3.37Å; D55-R60 IonicContact OD1-CZ 3.69Å; D55-R60 IonicContact OD1-NE 2.62Å; D55-R60 IonicContact OD1-NH1 3.8Å; D55-R60 PolarHBondContact OD1-NH1 3.11Å; D55-Q70 PolarHBondContact OD1-NE2 3.4Å; D55-Q70 PolarHBondContact OD1-OE1 3.39Å
56K97.9Very high97.3Very high144 Ų14477.2 Ų77.263%0.62641%0.407SS*.PPolyproline II helixtrans-70.8148.3173.8-61.3178.5-178.3174.70110.2E58 E59K56-E58 PolarHBondContact O-N 2.99Å; K56-E58 VanDerWaalsContact O-N 3.13Å; K56-E59 HydrophobicContact CB-CG 4.12Å; K56-E59 WeakPolarHBondContact CB-OE2 3.33Å; K56-E59 PolarHBondContact N-OE2 3.3Å; K56-E59 WeakPolarHBondContact O-CB 3.32Å; K56-E59 PolarHBondContact O-N 3.06Å
57D97.1Very high97.3Very high78 Ų7880.7 Ų80.742%0.41742%0.42SS..Hα-helixtrans-54.2-36.7-179.6-67.413000112.3E59 R60 K61 Y67D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 2.76Å; D57-R60 VanDerWaalsContact CG-NH2 3.32Å; D57-R60 IonicContact OD1-CZ 3.65Å; D57-R60 IonicContact OD1-NH1 3.37Å; D57-R60 PolarHBondContact OD1-NH1 3.04Å; D57-R60 IonicContact OD1-NH2 3.97Å; D57-R60 PolarHBondContact OD1-NH2 2.96Å; D57-R60 IonicContact OD2-NH2 3.23Å; D57-K61 PolarHBondContact O-N 2.96Å; D57-Y67 WeakPolarHBondContact OD2-CE2 3.31Å
58E97.2Very high97.3Very high142 Ų14281 Ų8166%0.66442%0.422SS*.Hα-helixtrans-65.8-29177.6-61.774.3-156.800113K56K56-E58 PolarHBondContact O-N 2.99Å; K56-E58 VanDerWaalsContact O-N 3.13Å
59E97.6Very high97.3Very high96 Ų9676.9 Ų76.945%0.44940%0.4SS..Hα-helixtrans-73.8-34.8-176-66.5177.5125.400111.7K42 D55 K56 D57K42-E59 WeakPolarHBondContact CD-O 3.26Å; K42-E59 WeakPolarHBondContact CE-O 3.5Å; K42-E59 PolarHBondContact NZ-O 3.03Å; D55-E59 HydrophobicContact CB-CB 4.23Å; D55-E59 WeakPolarHBondContact CB-OE2 3.4Å; K56-E59 HydrophobicContact CB-CG 4.12Å; K56-E59 WeakPolarHBondContact CB-OE2 3.33Å; K56-E59 PolarHBondContact N-OE2 3.3Å; K56-E59 WeakPolarHBondContact O-CB 3.32Å; K56-E59 PolarHBondContact O-N 3.06Å; D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 2.76Å
60R97.7Very high97.3Very high8 Ų872.9 Ų72.93%0.0338%0.381CS..Hα-helixtrans-95.41.5177.861.7179.4-177.5-81.9-5.3115.1D55 D57 V68 N137D55-R60 PolarHBondContact O-NH1 2.78Å; D55-R60 WeakPolarHBondContact OD1-CD 3.37Å; D55-R60 IonicContact OD1-CZ 3.69Å; D55-R60 IonicContact OD1-NE 2.62Å; D55-R60 IonicContact OD1-NH1 3.8Å; D55-R60 PolarHBondContact OD1-NH1 3.11Å; D57-R60 VanDerWaalsContact CG-NH2 3.32Å; D57-R60 IonicContact OD1-CZ 3.65Å; D57-R60 IonicContact OD1-NH1 3.37Å; D57-R60 PolarHBondContact OD1-NH1 3.04Å; D57-R60 IonicContact OD1-NH2 3.97Å; D57-R60 PolarHBondContact OD1-NH2 2.96Å; D57-R60 IonicContact OD2-NH2 3.23Å; R60-V68 HydrophobicContact CB-CG1 4.35Å; R60-V68 HydrophobicContact CG-CB 4.18Å; R60-V68 HydrophobicContact CG-CG1 4.06Å; R60-V68 PolarHBondContact NE-O 3.45Å; R60-V68 PolarHBondContact NH2-O 3.18Å; R60-N137 WeakPolarHBondContact CD-OD1 3.12Å
61K97.9Very high97.3Very high124 Ų12470.8 Ų70.854%0.53937%0.367SS..  trans-61.7137.9175.3-171.1172.1-175.9170.40111.8D57D57-K61 PolarHBondContact O-N 2.96Å
62I97.7Very high97.4Very high12 Ų1268.3 Ų68.36%0.06235%0.353CS..  trans-136.7158172.267.2164.2000110.4E38 L39 K42 F65E38-I62 HydrophobicContact CB-CB 4.48Å; E38-I62 HydrophobicContact CB-CD1 3.83Å; E38-I62 HydrophobicContact CB-CG2 4.14Å; L39-I62 HydrophobicContact CD2-CD1 3.48Å; L39-I62 VanDerWaalsContact CD2-CD1 3.48Å; L39-I62 HydrophobicContact CD2-CG1 3.79Å; L39-I62 HydrophobicContact CG-CD1 3.57Å; L39-I62 HydrophobicContact CG-CG1 4.42Å; K42-I62 HydrophobicContact CG-CG2 3.83Å; I62-F65 HydrophobicContact CD1-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CE2 3.89Å; I62-F65 HydrophobicContact CG1-CD2 3.75Å; I62-F65 HydrophobicContact CG1-CE2 4.35Å
63P97.1Very high97.6Very high125 Ų12563 Ų6381%0.81233%0.326SS*.THydrogen-bonded Turntrans-56.6141.7173.9-24.434.9000112.4
64G96.8Very high97.7Very high80 Ų8063.7 Ų63.783%0.82533%0.325SS*.THydrogen-bonded Turntrans96.1-13.417800000115.3
65F97.6Very high97.7Very high29 Ų2958.9 Ų58.913%0.12730%0.303CS..  trans-128.4123.3175.2-54.1-62000110.6L39 I62 Y67 V68 D117 G139L39-F65 HydrophobicContact CD1-CE2 4.17Å; L39-F65 HydrophobicContact CD2-CD2 4.46Å; I62-F65 HydrophobicContact CD1-CD2 3.81Å; I62-F65 HydrophobicContact CD1-CE2 3.89Å; I62-F65 HydrophobicContact CG1-CD2 3.75Å; I62-F65 HydrophobicContact CG1-CE2 4.35Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; F65-V68 HydrophobicContact CB-CG2 4.02Å; F65-D117 HydrophobicContact CE1-CB 4.35Å; F65-D117 HydrophobicContact CE2-CB 4.09Å; F65-D117 HydrophobicContact CZ-CB 3.53Å; F65-G139 WeakPolarHBondContact CE1-O 3.36Å
66E95.7Very high97.7Very high192 Ų19261.7 Ų61.790%0.89732%0.322SS*.SBendtrans-67.5-37.4176.3-66.2-172.1155.200111.9
67Y97.8Very high97.7Very high80 Ų8063.5 Ų63.531%0.31433%0.325SS..  trans-132.8136.9177.8173.2-114.5000110.1D57 F65 G141 G142 I144D57-Y67 WeakPolarHBondContact OD2-CE2 3.31Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; Y67-G141 VanDerWaalsContact CD1-CA 3.46Å; Y67-G141 PolarHBondContact O-N 2.62Å; Y67-G142 WeakPolarHBondContact CE1-O 3.31Å; Y67-I144 HydrophobicContact CD1-CD1 4.37Å
68V98.7Very high97.6Very high5 Ų561.2 Ų61.23%0.0331%0.313CS..  trans-116.8118.5176.1175.60000108.4L39 R60 F65 N137 Y138L39-V68 HydrophobicContact CD2-CG1 3.73Å; L39-V68 HydrophobicContact CD2-CG2 3.98Å; R60-V68 HydrophobicContact CB-CG1 4.35Å; R60-V68 HydrophobicContact CG-CB 4.18Å; R60-V68 HydrophobicContact CG-CG1 4.06Å; R60-V68 PolarHBondContact NE-O 3.45Å; R60-V68 PolarHBondContact NH2-O 3.18Å; F65-V68 HydrophobicContact CB-CG2 4.02Å; V68-N137 HydrophobicContact CG1-CB 3.79Å; V68-Y138 CarbonylContact C-O 3.52Å; V68-Y138 VanDerWaalsContact CA-O 3.26Å; V68-Y138 WeakPolarHBondContact CA-O 3.35Å
69G98.5Very high97.6Very high0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-79.9164.9174.800000110.8N137 Y138G69-N137 CarbonylContact O-C 3.51Å; G69-N137 VanDerWaalsContact O-CA 3.3Å; G69-N137 WeakPolarHBondContact O-CA 3.2Å; G69-Y138 PolarHBondContact N-O 3.02Å; G69-Y138 PolarHBondContact O-N 3.02Å
70Q98.7Very high97.6Very high12 Ų1259.1 Ų59.16%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-145.4137.8179.2-173.3176.685.400111.7H54 D55 I135 C136 N137H54-Q70 VanDerWaalsContact CA-OE1 3.31Å; H54-Q70 PolarHBondContact CE1-O 2.95Å; H54-Q70 VanDerWaalsContact CE1-O 3.29Å; H54-Q70 PolarHBondContact ND1-OE1 3.03Å; D55-Q70 PolarHBondContact OD1-NE2 3.4Å; D55-Q70 PolarHBondContact OD1-OE1 3.39Å; Q70-I135 HydrophobicContact CG-CG2 3.83Å; Q70-C136 CarbonylContact C-O 3.51Å; Q70-C136 VanDerWaalsContact CA-O 3.24Å; Q70-C136 WeakPolarHBondContact CA-O 3.45Å; Q70-N137 WeakPolarHBondContact CG-OD1 3.45Å; Q70-N137 PolarHBondContact NE2-OD1 3.06Å
71N98.7Very high97.6Very high1 Ų158.8 Ų58.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-108.4137.1162.6-73.86.1000108.8W85 H106 Q109 I135 C136 Y138N71-W85 HydrophobicContact CB-CD2 3.93Å; N71-W85 HydrophobicContact CB-CE3 4.11Å; N71-W85 HydrophobicContact CB-CH2 3.74Å; N71-W85 HydrophobicContact CB-CZ2 3.56Å; N71-W85 HydrophobicContact CB-CZ3 4.02Å; N71-H106 PolarHBondContact ND2-O 3.26Å; N71-Q109 WeakPolarHBondContact OD1-CB 3.05Å; N71-Q109 WeakPolarHBondContact OD1-CG 3.06Å; N71-I135 WeakPolarHBondContact O-CA 3.5Å; N71-C136 PolarHBondContact N-O 3.38Å; N71-C136 PolarHBondContact O-N 3.4Å; N71-Y138 HydrophobicContact CB-CE2 3.82Å; N71-Y138 PolarHBondContact ND2-OH 3.39Å; N71-Y138 VanDerWaalsContact ND2-OH 3.07Å
72W98.2Very high97.6Very high54 Ų5453.7 Ų53.721%0.20528%0.284CS..EExtended strand (participates in β ladder)trans-124.8140.4179.117488.9000110.1L52 G53 L74 W85 N133 V134 I135L52-W72 HydrophobicContact CB-CH2 4.12Å; L52-W72 HydrophobicContact CB-CZ2 4.04Å; L52-W72 HydrophobicContact CD2-CH2 3.88Å; L52-W72 HydrophobicContact CD2-CZ2 3.64Å; L52-W72 HydrophobicContact CG-CZ2 4.46Å; G53-W72 VanDerWaalsContact O-CG 3.29Å; W72-L74 HydrophobicContact CH2-CB 4.05Å; W72-L74 HydrophobicContact CZ2-CB 3.82Å; W72-W85 PolarHBondContact O-NE1 3.44Å; W72-N133 PolarHBondContact NE1-OD1 2.93Å; W72-V134 WeakPolarHBondContact CA-O 3Å; W72-I135 HydrophobicContact CB-CD1 4.46Å; W72-I135 HydrophobicContact CG-CD1 4.21Å
73A98Very high97.6Very high5 Ų558.4 Ų58.44%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-149.1136.9170.600000111.1W85 V134A73-W85 HydrophobicContact CB-CZ2 3.69Å; A73-V134 PolarHBondContact N-O 3.15Å; A73-V134 PolarHBondContact O-N 3.2Å
74L98Very high97.6Very high34 Ų3457.1 Ų57.118%0.17829%0.289CS..EExtended strand (participates in β ladder)trans-102.8113.5162.3-169.869.4000108.6L52 W72 M128 P130 L132 N133L52-L74 HydrophobicContact CD2-CD2 3.86Å; W72-L74 HydrophobicContact CH2-CB 4.05Å; W72-L74 HydrophobicContact CZ2-CB 3.82Å; L74-M128 HydrophobicContact CD1-CB 4.09Å; L74-M128 HydrophobicContact CD1-SD 3.68Å; L74-M128 HydrophobicContact CD2-CB 4.13Å; L74-M128 HydrophobicContact CD2-SD 4.24Å; L74-P130 WeakPolarHBondContact CD1-O 3.29Å; L74-P130 VanDerWaalsContact CD2-O 3.31Å; L74-P130 WeakPolarHBondContact CD2-O 3.49Å; L74-P130 WeakPolarHBondContact CG-O 3.39Å; L74-L132 WeakPolarHBondContact CA-O 3.43Å; L74-N133 HydrophobicContact CD1-CB 4.27Å
75T98Very high97.7Very high0 Ų053.6 Ų53.60%025%0.251CS..EExtended strand (participates in β ladder)trans-141.9155-165.3-171.80000112.5R77 G81 P130 L132 V134T75-R77 VanDerWaalsContact C-N 3.35Å; T75-R77 VanDerWaalsContact CG2-O 3.3Å; T75-R77 WeakPolarHBondContact CG2-O 3.14Å; T75-R77 PolarHBondContact OG1-O 3.07Å; T75-G81 PolarHBondContact OG1-N 3.47Å; T75-P130 WeakPolarHBondContact O-CB 3.45Å; T75-L132 HydrophobicContact CG2-CB 4.11Å; T75-L132 HydrophobicContact CG2-CD2 4.22Å; T75-L132 PolarHBondContact N-O 2.95Å; T75-L132 WeakPolarHBondContact O-CA 3.37Å; T75-L132 WeakPolarHBondContact O-CB 3.29Å; T75-L132 PolarHBondContact O-N 2.97Å; T75-V134 HydrophobicContact CG2-CG2 3.94Å
76P97.4Very high97.8Very high74 Ų7454.9 Ų54.948%0.48126%0.256SS..SBendtrans-77.8-21.4174.727.5-34.1000112.8I80 P130P76-I80 HydrophobicContact CG-CD1 3.84Å; P76-I80 HydrophobicContact CG-CG2 4.46Å; P76-P130 HydrophobicContact CB-CB 4.31Å; P76-P130 VanDerWaalsContact N-CB 3.35Å
77R96.7Very high97.9Very high182 Ų18248.3 Ų48.369%0.68723%0.227SC*.SBendtrans-149.5145.7177.6-61.5-175.4-179.7-174.2-0.3110.3T75 L79 I80 G81T75-R77 VanDerWaalsContact C-N 3.35Å; T75-R77 VanDerWaalsContact CG2-O 3.3Å; T75-R77 WeakPolarHBondContact CG2-O 3.14Å; T75-R77 PolarHBondContact OG1-O 3.07Å; R77-L79 VanDerWaalsContact C-N 3.31Å; R77-L79 PolarHBondContact O-N 2.96Å; R77-I80 HydrophobicContact CB-CD1 4.01Å; R77-I80 HydrophobicContact CB-CG1 4.21Å; R77-I80 HydrophobicContact CG-CD1 4.22Å; R77-I80 WeakPolarHBondContact O-CB 3.49Å; R77-I80 PolarHBondContact O-N 3.14Å; R77-G81 PolarHBondContact O-N 3.15Å; R77-G81 VanDerWaalsContact O-N 3.17Å
78L96.5Very high97.9Very high31 Ų3145.8 Ų45.816%0.16222%0.218CC..Hα-helixtrans-51.8-46.3-179.8-17960.7000113.6M1 F5 M8 I80 G81 F82 L132 V134M1-L78 HydrophobicContact CG-CD2 4.27Å; F5-L78 HydrophobicContact CD1-CD1 4.5Å; F5-L78 HydrophobicContact CE1-CD1 3.51Å; F5-L78 HydrophobicContact CE1-CD2 4.32Å; F5-L78 HydrophobicContact CE1-CG 4.43Å; F5-L78 HydrophobicContact CE2-CD2 4.38Å; F5-L78 HydrophobicContact CZ-CD1 3.51Å; F5-L78 HydrophobicContact CZ-CD2 4.1Å; F5-L78 HydrophobicContact CZ-CG 4.44Å; M8-L78 HydrophobicContact CE-CD2 4.14Å; M8-L78 HydrophobicContact CE-CG 4.12Å; L78-I80 VanDerWaalsContact C-N 3.27Å; L78-I80 PolarHBondContact O-N 3.18Å; L78-G81 PolarHBondContact O-N 2.88Å; L78-F82 PolarHBondContact O-N 3.08Å; L78-L132 HydrophobicContact CB-CD2 4.18Å; L78-V134 HydrophobicContact CD1-CG1 3.88Å; L78-V134 HydrophobicContact CD1-CG2 4.01Å
79L96.1Very high97.9Very high119 Ų11946.1 Ų46.162%0.62322%0.221SC*.Hα-helixtrans-62.6-32.7178.7-68.5-179.7000112.9M8 R77 K83M8-L79 HydrophobicContact CG-CD2 4.47Å; M8-L79 HydrophobicContact SD-CD2 3.48Å; M8-L79 WeakPolarHBondContact SD-CD2 3.47Å; R77-L79 VanDerWaalsContact C-N 3.31Å; R77-L79 PolarHBondContact O-N 2.96Å; L79-K83 VanDerWaalsContact O-CB 3.25Å; L79-K83 WeakPolarHBondContact O-CB 3.2Å; L79-K83 PolarHBondContact O-N 3.35Å
80I97.7Very high97.8Very high74 Ų7453.6 Ų53.638%0.37926%0.256SS..Hα-helixtrans-69.9-45.9178.2-66.3170.7000109.2P76 R77 L78 F82 K83 M84P76-I80 HydrophobicContact CG-CD1 3.84Å; P76-I80 HydrophobicContact CG-CG2 4.46Å; R77-I80 HydrophobicContact CB-CD1 4.01Å; R77-I80 HydrophobicContact CB-CG1 4.21Å; R77-I80 HydrophobicContact CG-CD1 4.22Å; R77-I80 WeakPolarHBondContact O-CB 3.49Å; R77-I80 PolarHBondContact O-N 3.14Å; L78-I80 VanDerWaalsContact C-N 3.27Å; L78-I80 PolarHBondContact O-N 3.18Å; I80-F82 PolarHBondContact O-N 3.07Å; I80-K83 PolarHBondContact O-N 3.24Å; I80-M84 HydrophobicContact CG2-SD 4.29Å; I80-M84 VanDerWaalsContact O-CG 3.3Å; I80-M84 WeakPolarHBondContact O-CG 3.34Å; I80-M84 PolarHBondContact O-N 2.97Å
81G97.5Very high97.8Very high1 Ų155 Ų551%0.0126%0.264CS..Hα-helixtrans-60-45.2175.900000112.6T75 R77 L78 K83 M84 W85T75-G81 PolarHBondContact OG1-N 3.47Å; R77-G81 PolarHBondContact O-N 3.15Å; R77-G81 VanDerWaalsContact O-N 3.17Å; L78-G81 PolarHBondContact O-N 2.88Å; G81-K83 VanDerWaalsContact C-N 3.35Å; G81-K83 PolarHBondContact O-N 2.61Å; G81-M84 WeakPolarHBondContact O-CB 3.3Å; G81-M84 PolarHBondContact O-N 3.36Å; G81-W85 PolarHBondContact O-N 2.88Å
82F98.1Very high97.8Very high18 Ų1855.5 Ų55.58%0.07927%0.265CS..Hα-helixtrans-63.7-40.9175.8-169-87.2000112.1M8 H9 V12 L78 I80 M84 W85 F86 L110M8-F82 HydrophobicContact CB-CD1 3.9Å; M8-F82 HydrophobicContact CB-CD2 3.9Å; M8-F82 HydrophobicContact CB-CE1 3.71Å; M8-F82 HydrophobicContact CB-CE2 3.71Å; M8-F82 HydrophobicContact CB-CG 4Å; M8-F82 HydrophobicContact CB-CZ 3.62Å; M8-F82 HydrophobicContact CE-CB 4.23Å; M8-F82 HydrophobicContact CE-CD2 4.08Å; M8-F82 HydrophobicContact CE-CG 4.17Å; M8-F82 HydrophobicContact CG-CD1 4.31Å; M8-F82 HydrophobicContact CG-CG 4.38Å; M8-F82 VanDerWaalsContact O-CZ 3.26Å; M8-F82 WeakPolarHBondContact O-CZ 3.45Å; M8-F82 HydrophobicContact SD-CB 3.75Å; M8-F82 HydrophobicContact SD-CD1 4.03Å; M8-F82 HydrophobicContact SD-CD2 4.14Å; M8-F82 HydrophobicContact SD-CG 3.68Å; H9-F82 AromaticContact CE1-CE2 3.64Å; H9-F82 AromaticContact ND1-CE2 3.59Å; V12-F82 HydrophobicContact CG2-CE1 3.7Å; V12-F82 HydrophobicContact CG2-CZ 3.89Å; L78-F82 PolarHBondContact O-N 3.08Å; I80-F82 PolarHBondContact O-N 3.07Å; F82-M84 VanDerWaalsContact C-N 3.32Å; F82-M84 PolarHBondContact O-N 2.87Å; F82-W85 HydrophobicContact CD2-CE3 4.03Å; F82-W85 HydrophobicContact CD2-CZ3 4.31Å; F82-W85 PolarHBondContact O-N 3.44Å; F82-F86 PolarHBondContact O-N 3.38Å; F82-L110 HydrophobicContact CE2-CD1 4.3Å; F82-L110 HydrophobicContact CE2-CD2 3.75Å; F82-L110 HydrophobicContact CZ-CD1 4.06Å; F82-L110 HydrophobicContact CZ-CD2 4.08Å
83K97.8Very high97.8Very high110 Ų11056.3 Ų56.348%0.47827%0.274SS..Hα-helixtrans-61.9-39.9175.6-169.7-174-174.9-48.50111.6L79 I80 G81 W85 F86 D87L79-K83 VanDerWaalsContact O-CB 3.25Å; L79-K83 WeakPolarHBondContact O-CB 3.2Å; L79-K83 PolarHBondContact O-N 3.35Å; I80-K83 PolarHBondContact O-N 3.24Å; G81-K83 VanDerWaalsContact C-N 3.35Å; G81-K83 PolarHBondContact O-N 2.61Å; K83-W85 VanDerWaalsContact C-N 3.34Å; K83-W85 PolarHBondContact O-N 3.13Å; K83-F86 PolarHBondContact O-N 1.98Å; K83-F86 VanDerWaalsContact O-N 3.12Å; K83-D87 IonicContact NZ-OD1 2.59Å; K83-D87 PolarHBondContact NZ-OD1 3.25Å; K83-D87 IonicContact NZ-OD2 2.85Å; K83-D87 PolarHBondContact NZ-OD2 3.2Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 3.34Å
84M98Very high97.8Very high99 Ų9956.8 Ų56.849%0.48828%0.275SS..Hα-helixtrans-57.8-46.5175.1-70167.763.300111.5I80 G81 F82 F86 D87 E88I80-M84 HydrophobicContact CG2-SD 4.29Å; I80-M84 VanDerWaalsContact O-CG 3.3Å; I80-M84 WeakPolarHBondContact O-CG 3.34Å; I80-M84 PolarHBondContact O-N 2.97Å; G81-M84 WeakPolarHBondContact O-CB 3.3Å; G81-M84 PolarHBondContact O-N 3.36Å; F82-M84 VanDerWaalsContact C-N 3.32Å; F82-M84 PolarHBondContact O-N 2.87Å; M84-F86 VanDerWaalsContact C-N 3.3Å; M84-F86 PolarHBondContact O-N 2.86Å; M84-D87 PolarHBondContact O-N 2.99Å; M84-E88 PolarHBondContact O-N 3.38Å
85W98.5Very high97.7Very high6 Ų661.3 Ų61.32%0.02330%0.299CS..Hα-helixtrans-63.7-33.9175.2-61.7-25.6000113.3N71 W72 A73 G81 F82 K83 E88 H106 Y107 L110 V134 C136N71-W85 HydrophobicContact CB-CD2 3.93Å; N71-W85 HydrophobicContact CB-CE3 4.11Å; N71-W85 HydrophobicContact CB-CH2 3.74Å; N71-W85 HydrophobicContact CB-CZ2 3.56Å; N71-W85 HydrophobicContact CB-CZ3 4.02Å; W72-W85 PolarHBondContact O-NE1 3.44Å; A73-W85 HydrophobicContact CB-CZ2 3.69Å; G81-W85 PolarHBondContact O-N 2.88Å; F82-W85 HydrophobicContact CD2-CE3 4.03Å; F82-W85 HydrophobicContact CD2-CZ3 4.31Å; F82-W85 PolarHBondContact O-N 3.44Å; K83-W85 VanDerWaalsContact C-N 3.34Å; K83-W85 PolarHBondContact O-N 3.13Å; W85-E88 WeakPolarHBondContact O-CB 3.41Å; W85-H106 HydrophobicContact CB-CB 3.68Å; W85-H106 AromaticContact CD1-CD2 3.73Å; W85-H106 AromaticContact CD1-CG 3.34Å; W85-H106 AromaticContact CD1-ND1 3.75Å; W85-H106 HydrophobicContact CG-CB 3.63Å; W85-H106 AromaticContact NE1-CD2 3.68Å; W85-H106 AromaticContact NE1-CG 3.79Å; W85-Y107 VanDerWaalsContact O-CA 3.31Å; W85-Y107 WeakPolarHBondContact O-CA 3.45Å; W85-Y107 VanDerWaalsContact O-CB 3.29Å; W85-Y107 WeakPolarHBondContact O-CB 3.49Å; W85-Y107 PolarHBondContact O-N 3.03Å; W85-L110 HydrophobicContact CB-CD1 3.95Å; W85-V134 HydrophobicContact CH2-CG1 3.87Å; W85-V134 HydrophobicContact CZ2-CG1 4.47Å; W85-C136 HydrophobicContact CH2-CB 4.24Å; W85-C136 HydrophobicContact CZ3-CB 4.38Å
86F98.5Very high97.7Very high56 Ų5665.4 Ų65.425%0.24632%0.324CS..Hα-helixtrans-76.5-38.5178.1172.7-103000113V12 I21 F82 K83 M84 E88 S89 Y107V12-F86 HydrophobicContact CB-CD2 4.37Å; V12-F86 HydrophobicContact CG1-CD2 3.8Å; V12-F86 HydrophobicContact CG1-CE2 4.03Å; V12-F86 HydrophobicContact CG2-CD2 3.61Å; V12-F86 HydrophobicContact CG2-CE2 4.07Å; V12-F86 HydrophobicContact CG2-CG 4.36Å; I21-F86 HydrophobicContact CD1-CE2 3.6Å; I21-F86 HydrophobicContact CD1-CZ 3.66Å; I21-F86 HydrophobicContact CG1-CE2 4.48Å; F82-F86 PolarHBondContact O-N 3.38Å; K83-F86 PolarHBondContact O-N 1.98Å; K83-F86 VanDerWaalsContact O-N 3.12Å; M84-F86 VanDerWaalsContact C-N 3.3Å; M84-F86 PolarHBondContact O-N 2.86Å; F86-E88 PolarHBondContact O-N 2.78Å; F86-S89 WeakPolarHBondContact O-CB 3.28Å; F86-S89 PolarHBondContact O-N 3.39Å; F86-S89 PolarHBondContact O-OG 2.79Å; F86-Y107 HydrophobicContact CD2-CE2 4.48Å
87D98.1Very high97.6Very high53 Ų5364 Ų6428%0.28331%0.313SS..Hα-helixtrans-64.4-22.6-179.1-73.3-14.6000112.3K83 M84 S89 Q90K83-D87 IonicContact NZ-OD1 2.59Å; K83-D87 PolarHBondContact NZ-OD1 3.25Å; K83-D87 IonicContact NZ-OD2 2.85Å; K83-D87 PolarHBondContact NZ-OD2 3.2Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 3.34Å; M84-D87 PolarHBondContact O-N 2.99Å; D87-S89 PolarHBondContact O-N 3.07Å; D87-Q90 WeakPolarHBondContact O-CB 3.41Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; D87-Q90 PolarHBondContact O-N 3.12Å
88E98.5Very high97.7Very high28 Ų2858.9 Ų58.913%0.13130%0.302CS..G310 helixtrans-55.5-16.6168-79.7-169.5-171.400113.9M84 W85 F86 Q90 N91 Y92 Q103 C104 T105 H106 Y107M84-E88 PolarHBondContact O-N 3.38Å; W85-E88 WeakPolarHBondContact O-CB 3.41Å; F86-E88 PolarHBondContact O-N 2.78Å; E88-Q90 PolarHBondContact O-N 2.62Å; E88-N91 WeakPolarHBondContact O-CB 2.91Å; E88-N91 PolarHBondContact O-N 3.32Å; E88-Y92 PolarHBondContact O-N 3.13Å; E88-Q103 VanDerWaalsContact CG-O 3.3Å; E88-Q103 WeakPolarHBondContact CG-O 3.02Å; E88-C104 VanDerWaalsContact OE2-CA 3.28Å; E88-C104 WeakPolarHBondContact OE2-CA 3.28Å; E88-C104 PolarHBondContact OE2-N 2.92Å; E88-T105 PolarHBondContact OE2-N 3.13Å; E88-T105 VanDerWaalsContact OE2-N 3.13Å; E88-H106 IonicContact OE1-CE1 3.99Å; E88-H106 IonicContact OE1-CG 2.71Å; E88-H106 IonicContact OE1-ND1 3.69Å; E88-H106 PolarHBondContact OE1-ND1 3.32Å; E88-H106 VanDerWaalsContact OE2-CB 3.27Å; E88-H106 WeakPolarHBondContact OE2-CB 3.47Å; E88-H106 IonicContact OE2-CG 3.45Å; E88-H106 PolarHBondContact OE2-N 2.92Å; E88-H106 IonicContact OE2-ND1 2.72Å; E88-H106 PolarHBondContact OE2-ND1 2.83Å; E88-Y107 PolarHBondContact OE2-N 3.43Å
89S98.2Very high97.6Very high12 Ų1259.1 Ų59.18%0.08431%0.306CS..G310 helixtrans-53.3-30.7168.757.50000113.7Q24 F86 D87 N91 Y92Q24-S89 PolarHBondContact NE2-O 2.92Å; F86-S89 WeakPolarHBondContact O-CB 3.28Å; F86-S89 PolarHBondContact O-N 3.39Å; F86-S89 PolarHBondContact O-OG 2.79Å; D87-S89 PolarHBondContact O-N 3.07Å; S89-N91 PolarHBondContact O-N 3.31Å; S89-Y92 PolarHBondContact O-N 3.21Å
90Q97.5Very high97.6Very high157 Ų15758 Ų5873%0.73430%0.299SS*.G310 helixtrans-69.7-22.5177.3-61.5-177.5-4.400112.8D87 E88D87-Q90 WeakPolarHBondContact O-CB 3.41Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; D87-Q90 PolarHBondContact O-N 3.12Å; E88-Q90 PolarHBondContact O-N 2.62Å
91N97.9Very high97.3Very high42 Ų4260.8 Ų60.823%0.22532%0.315CS..G310 helixtrans-94.7-6.8-178.9-64.3-32000113E88 S89 C99 I100 Q103E88-N91 WeakPolarHBondContact O-CB 2.91Å; E88-N91 PolarHBondContact O-N 3.32Å; S89-N91 PolarHBondContact O-N 3.31Å; N91-C99 WeakPolarHBondContact O-CA 3.48Å; N91-I100 HydrophobicContact CB-CB 4.11Å; N91-I100 PolarHBondContact O-N 3.45Å; N91-Q103 WeakPolarHBondContact CB-O 3.49Å; N91-Q103 PolarHBondContact ND2-O 2.72Å
92Y98.4Very high97Very high10 Ų1066.8 Ų66.84%0.03935%0.347CS..EExtended strand (participates in β ladder)trans-101.1121.5-177-177.7-115.4000112.1Q24 E88 S89 Y94 N97 C104 Y107 T108 P149Q24-Y92 PolarHBondContact NE2-O 3.2Å; E88-Y92 PolarHBondContact O-N 3.13Å; S89-Y92 PolarHBondContact O-N 3.21Å; Y92-Y94 HydrophobicContact CE1-CD2 4.01Å; Y92-Y94 HydrophobicContact CE1-CG 4.39Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.4Å; Y92-N97 PolarHBondContact OH-OD1 3.21Å; Y92-C104 HydrophobicContact CD2-CB 4.25Å; Y92-Y107 HydrophobicContact CD1-CD1 4.35Å; Y92-Y107 AromaticContact CD1-CE1 3.99Å; Y92-Y107 HydrophobicContact CD1-CE1 3.99Å; Y92-Y107 HydrophobicContact CG-CD1 4.43Å; Y92-Y107 HydrophobicContact CG-CE1 4.49Å; Y92-T108 HydrophobicContact CD1-CG2 4.13Å; Y92-T108 HydrophobicContact CD2-CG2 3.65Å; Y92-T108 HydrophobicContact CE1-CG2 4.21Å; Y92-T108 HydrophobicContact CE2-CG2 3.76Å; Y92-T108 HydrophobicContact CG-CG2 3.85Å; Y92-P149 HydrophobicContact CE1-CG 3.93Å; Y92-P149 WeakPolarHBondContact OH-CD 2.99Å
93N97.8Very high96.8Very high72 Ų7271 Ų7139%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-100.7107.9170.4-174.4-34.2000110.1N95 T96 N97 T98N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 3.19Å; N93-N95 WeakPolarHBondContact OD1-CB 3.41Å; N93-N95 PolarHBondContact OD1-N 3.46Å; N93-T96 WeakPolarHBondContact CB-OG1 3.3Å; N93-T96 PolarHBondContact OD1-N 3.41Å; N93-T96 PolarHBondContact OD1-OG1 3Å; N93-N97 VanDerWaalsContact O-CA 3.26Å; N93-N97 WeakPolarHBondContact O-CA 3.4Å; N93-N97 PolarHBondContact O-N 3.45Å; N93-T98 PolarHBondContact N-O 3.46Å; N93-T98 PolarHBondContact O-N 3.22Å
94Y98.1Very high96.8Very high14 Ų1465.8 Ų65.86%0.05535%0.345CS..THydrogen-bonded Turntrans-63.2-36-179.5-178.3-83000113.5P25 Y92 N97 K148 Y150 T152P25-Y94 HydrophobicContact CG-CD1 3.34Å; P25-Y94 HydrophobicContact CG-CD2 4.06Å; P25-Y94 HydrophobicContact CG-CE1 3.63Å; P25-Y94 HydrophobicContact CG-CE2 4.29Å; P25-Y94 HydrophobicContact CG-CG 3.59Å; Y92-Y94 HydrophobicContact CE1-CD2 4.01Å; Y92-Y94 HydrophobicContact CE1-CG 4.39Å; Y94-N97 PolarHBondContact O-N 3.29Å; Y94-K148 HydrophobicContact CD1-CD 4.29Å; Y94-K148 HydrophobicContact CE1-CD 3.79Å; Y94-K148 HydrophobicContact CE2-CB 4.21Å; Y94-K148 HydrophobicContact CE2-CD 4.12Å; Y94-K148 WeakPolarHBondContact O-CD 3.31Å; Y94-K148 WeakPolarHBondContact O-CE 3.38Å; Y94-K148 PolarHBondContact O-NZ 2.86Å; Y94-Y150 AromaticContact CD2-CE1 3.92Å; Y94-Y150 HydrophobicContact CD2-CE1 3.92Å; Y94-Y150 AromaticContact CD2-CE2 3.93Å; Y94-Y150 HydrophobicContact CD2-CE2 3.93Å; Y94-Y150 AromaticContact CD2-CZ 3.53Å; Y94-Y150 WeakPolarHBondContact CD2-OH 3.5Å; Y94-Y150 HydrophobicContact CE2-CD1 4.2Å; Y94-Y150 AromaticContact CE2-CD2 3.71Å; Y94-Y150 HydrophobicContact CE2-CD2 3.71Å; Y94-Y150 AromaticContact CE2-CE1 3.87Å; Y94-Y150 HydrophobicContact CE2-CE1 3.87Å; Y94-Y150 AromaticContact CE2-CE2 3.4Å; Y94-Y150 HydrophobicContact CE2-CE2 3.4Å; Y94-Y150 HydrophobicContact CE2-CG 4.11Å; Y94-Y150 AromaticContact CE2-CZ 3.47Å; Y94-Y150 VanDerWaalsContact CE2-CZ 3.47Å; Y94-Y150 WeakPolarHBondContact CE2-O 3.49Å; Y94-Y150 AromaticContact CZ-CE2 3.97Å; Y94-Y150 PolarHBondContact OH-O 3.27Å; Y94-T152 HydrophobicContact CD1-CG2 4.25Å; Y94-T152 HydrophobicContact CE1-CG2 3.29Å; Y94-T152 HydrophobicContact CE2-CG2 4.44Å; Y94-T152 VanDerWaalsContact CZ-CG2 3.4Å; Y94-T152 WeakPolarHBondContact OH-CG2 2.89Å; Y94-T152 PolarHBondContact OH-N 3.02Å
95N96.6Very high96.8Very high129 Ų12963.8 Ų63.869%0.6934%0.338SS*.THydrogen-bonded Turntrans-66.1-48.6-174.6-71.3-27.1000111.1N93 K148N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 3.19Å; N93-N95 WeakPolarHBondContact OD1-CB 3.41Å; N93-N95 PolarHBondContact OD1-N 3.46Å; N95-K148 PolarHBondContact O-NZ 3.01Å
96T97Very high96.8Very high86 Ų8665.1 Ų65.153%0.52834%0.344SS..THydrogen-bonded Turntrans-86-11.5178.553.80000113.4N93 T98N93-T96 WeakPolarHBondContact CB-OG1 3.3Å; N93-T96 PolarHBondContact OD1-N 3.41Å; N93-T96 PolarHBondContact OD1-OG1 3Å; T96-T98 VanDerWaalsContact C-N 3.3Å; T96-T98 PolarHBondContact O-N 2.97Å; T96-T98 PolarHBondContact OG1-OG1 2.85Å
97N97Very high96.8Very high44 Ų4462.4 Ų62.424%0.23533%0.332CS..THydrogen-bonded Turntrans54.743.5-171.8-161.931.4000112.8Y92 N93 Y94 V147 K148Y92-N97 WeakPolarHBondContact CE2-OD1 3.4Å; Y92-N97 PolarHBondContact OH-OD1 3.21Å; N93-N97 VanDerWaalsContact O-CA 3.26Å; N93-N97 WeakPolarHBondContact O-CA 3.4Å; N93-N97 PolarHBondContact O-N 3.45Å; Y94-N97 PolarHBondContact O-N 3.29Å; N97-V147 PolarHBondContact ND2-O 3.26Å; N97-V147 VanDerWaalsContact ND2-O 3.13Å; N97-K148 HydrophobicContact CB-CG 3.99Å
98T97.1Very high96.8Very high76 Ų7660.2 Ų60.247%0.46632%0.321SS..EExtended strand (participates in β ladder)trans-120.2154.2-176.5560000111.8N93 T96N93-T98 PolarHBondContact N-O 3.46Å; N93-T98 PolarHBondContact O-N 3.22Å; T96-T98 VanDerWaalsContact C-N 3.3Å; T96-T98 PolarHBondContact O-N 2.97Å; T96-T98 PolarHBondContact OG1-OG1 2.85Å
99C95.7Very high96.8Very high36 Ų3659 Ų5924%0.24332%0.315CS..EExtended strand (participates in β ladder)trans-124.3131.8-178.8-59.10000111N91 N101 C104N91-C99 WeakPolarHBondContact O-CA 3.48Å; C99-N101 PolarHBondContact O-N 2.04Å; C99-C104 HydrophobicContact CB-CB 3.51Å; C99-C104 WeakPolarHBondContact CB-SG 3.39Å; C99-C104 WeakPolarHBondContact SG-CB 3.46Å; C99-C104 CovalentContact SG-SG 1.98Å; C99-C104 PolarHBondContact SG-SG 2.9Å
100I95.3Very high96.8Very high95 Ų9558.4 Ų58.449%0.48731%0.311SS..G310 helixtrans-64.8119.5171.2-62.9172.3000107.9N91 N102 Q103N91-I100 HydrophobicContact CB-CB 4.11Å; N91-I100 PolarHBondContact O-N 3.45Å; I100-N102 PolarHBondContact O-N 2.94Å; I100-Q103 PolarHBondContact O-N 3.45Å
101N92.4Very high96.9Very high132 Ų13250.9 Ų50.971%0.70628%0.276SS*.G310 helixtrans52.327.9178-57.2-36000115C99 Q103C99-N101 PolarHBondContact O-N 2.04Å; N101-Q103 HydrophobicContact CB-CG 4.26Å; N101-Q103 PolarHBondContact O-N 2.71Å; N101-Q103 VanDerWaalsContact O-N 3.13Å
102N89.9Confident96.9Very high127 Ų12749.3 Ų49.368%0.67927%0.267SS*.G310 helixtrans57.514.9-170.6-73.6-9.3000115.4I100 C104I100-N102 PolarHBondContact O-N 2.94Å; N102-C104 PolarHBondContact O-N 3.43Å
103Q94.1Very high96.9Very high106 Ų10649.8 Ų49.850%0.49527%0.269SS..THydrogen-bonded Turntrans-88.155.2-179.3-64.4-178.6-8.400111.6E88 N91 I100 N101E88-Q103 VanDerWaalsContact CG-O 3.3Å; E88-Q103 WeakPolarHBondContact CG-O 3.02Å; N91-Q103 WeakPolarHBondContact CB-O 3.49Å; N91-Q103 PolarHBondContact ND2-O 2.72Å; I100-Q103 PolarHBondContact O-N 3.45Å; N101-Q103 HydrophobicContact CB-CG 4.26Å; N101-Q103 PolarHBondContact O-N 2.71Å; N101-Q103 VanDerWaalsContact O-N 3.13Å
104C97.9Very high96.9Very high2 Ų250.4 Ų50.41%0.01427%0.273CS..THydrogen-bonded Turntrans-136.7-14179.271.90000113.2E88 Y92 C99 N102 H106 Y107 T108E88-C104 VanDerWaalsContact OE2-CA 3.28Å; E88-C104 WeakPolarHBondContact OE2-CA 3.28Å; E88-C104 PolarHBondContact OE2-N 2.92Å; Y92-C104 HydrophobicContact CD2-CB 4.25Å; C99-C104 HydrophobicContact CB-CB 3.51Å; C99-C104 WeakPolarHBondContact CB-SG 3.39Å; C99-C104 WeakPolarHBondContact SG-CB 3.46Å; C99-C104 CovalentContact SG-SG 1.98Å; C99-C104 PolarHBondContact SG-SG 2.9Å; N102-C104 PolarHBondContact O-N 3.43Å; C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 3.06Å; C104-Y107 WeakPolarHBondContact O-CA 3.49Å; C104-Y107 WeakPolarHBondContact O-CB 3.3Å; C104-Y107 PolarHBondContact O-N 3.33Å; C104-Y107 VanDerWaalsContact O-N 3.08Å; C104-T108 PolarHBondContact O-N 2.91Å; C104-T108 PolarHBondContact O-OG1 2.84Å
105T97.8Very high97Very high57 Ų5749.7 Ų49.735%0.3527%0.27SS..Hα-helixtrans-73.3-24.5-159.551.10000112.1E88 T108 Q109 N143E88-T105 PolarHBondContact OE2-N 3.13Å; E88-T105 VanDerWaalsContact OE2-N 3.13Å; T105-T108 WeakPolarHBondContact CA-OG1 3.42Å; T105-T108 PolarHBondContact O-OG1 3.03Å; T105-Q109 VanDerWaalsContact O-CB 3.3Å; T105-Q109 WeakPolarHBondContact O-CB 3.08Å; T105-Q109 PolarHBondContact O-N 3.29Å; T105-Q109 VanDerWaalsContact O-N 3.15Å; T105-N143 PolarHBondContact O-ND2 3.28Å
106H98.5Very high97.1Very high33 Ų3346.1 Ų46.115%0.15325%0.253CS..Hα-helixtrans-70.6-43.3171.2-56.3114.4000110.4N71 W85 E88 C104 Q109 L110N71-H106 PolarHBondContact ND2-O 3.26Å; W85-H106 HydrophobicContact CB-CB 3.68Å; W85-H106 AromaticContact CD1-CD2 3.73Å; W85-H106 AromaticContact CD1-CG 3.34Å; W85-H106 AromaticContact CD1-ND1 3.75Å; W85-H106 HydrophobicContact CG-CB 3.63Å; W85-H106 AromaticContact NE1-CD2 3.68Å; W85-H106 AromaticContact NE1-CG 3.79Å; E88-H106 IonicContact OE1-CE1 3.99Å; E88-H106 IonicContact OE1-CG 2.71Å; E88-H106 IonicContact OE1-ND1 3.69Å; E88-H106 PolarHBondContact OE1-ND1 3.32Å; E88-H106 VanDerWaalsContact OE2-CB 3.27Å; E88-H106 WeakPolarHBondContact OE2-CB 3.47Å; E88-H106 IonicContact OE2-CG 3.45Å; E88-H106 PolarHBondContact OE2-N 2.92Å; E88-H106 IonicContact OE2-ND1 2.72Å; E88-H106 PolarHBondContact OE2-ND1 2.83Å; C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 3.06Å; H106-Q109 PolarHBondContact O-N 3.09Å; H106-L110 WeakPolarHBondContact O-CG 3.43Å; H106-L110 PolarHBondContact O-N 3.35Å; H106-L110 VanDerWaalsContact O-N 3.14Å
107Y98.7Very high97.2Very high0 Ų043.6 Ų43.60%024%0.236CC..Hα-helixtrans-61.6-53.3175.1170.7-110.5000111.4V12 W85 F86 E88 Y92 C104 Q109 L110 I111V12-Y107 HydrophobicContact CG1-CE2 4.43Å; W85-Y107 VanDerWaalsContact O-CA 3.31Å; W85-Y107 WeakPolarHBondContact O-CA 3.45Å; W85-Y107 VanDerWaalsContact O-CB 3.29Å; W85-Y107 WeakPolarHBondContact O-CB 3.49Å; W85-Y107 PolarHBondContact O-N 3.03Å; F86-Y107 HydrophobicContact CD2-CE2 4.48Å; E88-Y107 PolarHBondContact OE2-N 3.43Å; Y92-Y107 HydrophobicContact CD1-CD1 4.35Å; Y92-Y107 AromaticContact CD1-CE1 3.99Å; Y92-Y107 HydrophobicContact CD1-CE1 3.99Å; Y92-Y107 HydrophobicContact CG-CD1 4.43Å; Y92-Y107 HydrophobicContact CG-CE1 4.49Å; C104-Y107 WeakPolarHBondContact O-CA 3.49Å; C104-Y107 WeakPolarHBondContact O-CB 3.3Å; C104-Y107 PolarHBondContact O-N 3.33Å; C104-Y107 VanDerWaalsContact O-N 3.08Å; Y107-Q109 PolarHBondContact O-N 3.39Å; Y107-L110 WeakPolarHBondContact O-CB 3.2Å; Y107-L110 PolarHBondContact O-N 2.79Å; Y107-I111 HydrophobicContact CD1-CD1 4.13Å; Y107-I111 HydrophobicContact CD1-CG1 4.32Å; Y107-I111 HydrophobicContact CD2-CG1 4.43Å; Y107-I111 HydrophobicContact CE1-CD1 3.43Å; Y107-I111 VanDerWaalsContact CE1-CD1 3.43Å; Y107-I111 HydrophobicContact CE1-CG1 3.99Å; Y107-I111 HydrophobicContact CE2-CD1 4.21Å; Y107-I111 HydrophobicContact CE2-CG1 4.08Å; Y107-I111 HydrophobicContact CE2-CG2 3.91Å; Y107-I111 VanDerWaalsContact CZ-CD1 3.46Å; Y107-I111 WeakPolarHBondContact O-CG1 3.24Å; Y107-I111 PolarHBondContact O-N 2.84Å
108T98.5Very high97.2Very high7 Ų741.5 Ų41.54%0.04323%0.225CC..Hα-helixtrans-61.8-28.9-177.451.70000112.3Y92 C104 T105 I111 W112 N143 P149Y92-T108 HydrophobicContact CD1-CG2 4.13Å; Y92-T108 HydrophobicContact CD2-CG2 3.65Å; Y92-T108 HydrophobicContact CE1-CG2 4.21Å; Y92-T108 HydrophobicContact CE2-CG2 3.76Å; Y92-T108 HydrophobicContact CG-CG2 3.85Å; C104-T108 PolarHBondContact O-N 2.91Å; C104-T108 PolarHBondContact O-OG1 2.84Å; T105-T108 WeakPolarHBondContact CA-OG1 3.42Å; T105-T108 PolarHBondContact O-OG1 3.03Å; T108-I111 CarbonylContact O-C 3.53Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.13Å; T108-N143 WeakPolarHBondContact CB-OD1 3.15Å; T108-N143 PolarHBondContact OG1-OD1 2.85Å; T108-P149 HydrophobicContact CG2-CG 4.27Å
109Q98.7Very high97.3Very high1 Ų137.9 Ų37.91%0.00520%0.203CC..Hα-helixtrans-69.1-41.5170.8-179.759.588.100113N71 T105 H106 Y107 I111 W112 T115 Y138N71-Q109 WeakPolarHBondContact OD1-CB 3.05Å; N71-Q109 WeakPolarHBondContact OD1-CG 3.06Å; T105-Q109 VanDerWaalsContact O-CB 3.3Å; T105-Q109 WeakPolarHBondContact O-CB 3.08Å; T105-Q109 PolarHBondContact O-N 3.29Å; T105-Q109 VanDerWaalsContact O-N 3.15Å; H106-Q109 PolarHBondContact O-N 3.09Å; Y107-Q109 PolarHBondContact O-N 3.39Å; Q109-I111 PolarHBondContact O-N 2.85Å; Q109-W112 PolarHBondContact O-N 2.94Å; Q109-T115 PolarHBondContact NE2-OG1 3.21Å; Q109-Y138 HydrophobicContact CG-CD1 4.27Å; Q109-Y138 HydrophobicContact CG-CD2 3.27Å; Q109-Y138 HydrophobicContact CG-CE1 4.39Å; Q109-Y138 HydrophobicContact CG-CE2 3.41Å; Q109-Y138 VanDerWaalsContact CG-CE2 3.41Å; Q109-Y138 HydrophobicContact CG-CG 3.71Å
110L98.7Very high97.5Very high0 Ų036.5 Ų36.50%019%0.194CC..Hα-helixtrans-57.4-38176.5-69.2173.6000111.6H9 R13 F82 W85 H106 Y107 Y138H9-L110 WeakPolarHBondContact CD2-CD2 3.48Å; H9-L110 WeakPolarHBondContact NE2-CD2 3.2Å; R13-L110 WeakPolarHBondContact CD-O 3.35Å; R13-L110 VanDerWaalsContact CG-O 3.29Å; R13-L110 WeakPolarHBondContact CG-O 3.27Å; R13-L110 PolarHBondContact NH1-O 3.41Å; R13-L110 VanDerWaalsContact NH1-O 3.09Å; F82-L110 HydrophobicContact CE2-CD1 4.3Å; F82-L110 HydrophobicContact CE2-CD2 3.75Å; F82-L110 HydrophobicContact CZ-CD1 4.06Å; F82-L110 HydrophobicContact CZ-CD2 4.08Å; W85-L110 HydrophobicContact CB-CD1 3.95Å; H106-L110 WeakPolarHBondContact O-CG 3.43Å; H106-L110 PolarHBondContact O-N 3.35Å; H106-L110 VanDerWaalsContact O-N 3.14Å; Y107-L110 WeakPolarHBondContact O-CB 3.2Å; Y107-L110 PolarHBondContact O-N 2.79Å; L110-Y138 WeakPolarHBondContact CD2-OH 3.38Å
111I98.6Very high97.6Very high0 Ų032 Ų320%017%0.171CC..THydrogen-bonded Turntrans-106.225.2-174.957.5138.7000112.8V12 V16 M30 Y107 T108 Q109 E113 P149 Y150V12-I111 HydrophobicContact CG1-CG2 3.6Å; V16-I111 HydrophobicContact CB-CG2 4.36Å; V16-I111 HydrophobicContact CG2-CB 4.24Å; V16-I111 HydrophobicContact CG2-CG2 3.55Å; M30-I111 HydrophobicContact CE-CB 4.4Å; M30-I111 WeakPolarHBondContact CE-O 3.29Å; Y107-I111 HydrophobicContact CD1-CD1 4.13Å; Y107-I111 HydrophobicContact CD1-CG1 4.32Å; Y107-I111 HydrophobicContact CD2-CG1 4.43Å; Y107-I111 HydrophobicContact CE1-CD1 3.43Å; Y107-I111 VanDerWaalsContact CE1-CD1 3.43Å; Y107-I111 HydrophobicContact CE1-CG1 3.99Å; Y107-I111 HydrophobicContact CE2-CD1 4.21Å; Y107-I111 HydrophobicContact CE2-CG1 4.08Å; Y107-I111 HydrophobicContact CE2-CG2 3.91Å; Y107-I111 VanDerWaalsContact CZ-CD1 3.46Å; Y107-I111 WeakPolarHBondContact O-CG1 3.24Å; Y107-I111 PolarHBondContact O-N 2.84Å; T108-I111 CarbonylContact O-C 3.53Å; Q109-I111 PolarHBondContact O-N 2.85Å; I111-E113 PolarHBondContact O-N 3.49Å; I111-P149 HydrophobicContact CD1-CB 3.93Å; I111-P149 HydrophobicContact CD1-CG 3.72Å; I111-P149 HydrophobicContact CG1-CB 4.28Å; I111-Y150 HydrophobicContact CD1-CD1 3.83Å; I111-Y150 HydrophobicContact CD1-CE1 3.49Å; I111-Y150 VanDerWaalsContact CD1-CE1 3.49Å
112W98.8Very high97.9Very high9 Ų926.6 Ų26.63%0.03414%0.142CC..  trans-76.9114.6175.4-159.1-98.5000110.4R13 T108 Q109 N114 T115 N143 I144 V147 P149R13-W112 PolarHBondContact NH1-O 3.23Å; R13-W112 PolarHBondContact NH2-O 3.31Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.13Å; Q109-W112 PolarHBondContact O-N 2.94Å; W112-N114 PolarHBondContact O-N 2.89Å; W112-T115 PolarHBondContact O-N 2.83Å; W112-N143 VanDerWaalsContact CH2-N 3.33Å; W112-I144 HydrophobicContact CH2-CB 4.16Å; W112-I144 HydrophobicContact CH2-CG1 4.44Å; W112-I144 VanDerWaalsContact CH2-N 3.27Å; W112-I144 HydrophobicContact CZ2-CB 3.94Å; W112-I144 HydrophobicContact CZ2-CG1 3.79Å; W112-V147 HydrophobicContact CH2-CB 4.06Å; W112-V147 HydrophobicContact CH2-CG1 4.15Å; W112-V147 HydrophobicContact CZ2-CB 4.31Å; W112-V147 HydrophobicContact CZ2-CG1 4.08Å; W112-P149 CarbonylContact C-O 3.42Å; W112-P149 WeakPolarHBondContact CA-O 2.97Å; W112-P149 VanDerWaalsContact CE3-CA 3.44Å; W112-P149 HydrophobicContact CE3-CB 3.68Å; W112-P149 HydrophobicContact CZ3-CB 4.04Å
113E98.5Very high98.3Very high19 Ų1921.7 Ų21.79%0.08912%0.117CC..THydrogen-bonded Turntrans-61.6-34.3-170.670.4176.8151.300112.6M30 I111 P149 R151M30-E113 HydrophobicContact CE-CB 4.23Å; M30-E113 HydrophobicContact SD-CB 4.47Å; I111-E113 PolarHBondContact O-N 3.49Å; E113-P149 PolarHBondContact N-O 3.41Å; E113-R151 IonicContact OE1-CZ 3.4Å; E113-R151 PolarHBondContact OE1-N 2.78Å; E113-R151 IonicContact OE1-NE 3.34Å; E113-R151 PolarHBondContact OE1-NE 2.86Å; E113-R151 IonicContact OE1-NH1 3.14Å; E113-R151 IonicContact OE1-NH2 2.82Å; E113-R151 PolarHBondContact OE1-NH2 2.75Å; E113-R151 VanDerWaalsContact OE1-NH2 3.14Å; E113-R151 IonicContact OE2-CZ 3.99Å; E113-R151 IonicContact OE2-NE 3.76Å; E113-R151 PolarHBondContact OE2-NE 3.5Å; E113-R151 IonicContact OE2-NH2 3.13Å; E113-R151 PolarHBondContact OE2-NH2 3.02Å
114N98Very high98.5Very high85 Ų8522.9 Ų22.946%0.45512%0.122SC..THydrogen-bonded Turntrans-82.3-14.5-176.3-69.3-23.7000113W112 T116 P140W112-N114 PolarHBondContact O-N 2.89Å; N114-T116 PolarHBondContact O-N 2.93Å; N114-P140 VanDerWaalsContact O-CD 3.28Å; N114-P140 WeakPolarHBondContact O-CD 3.44Å; N114-P140 WeakPolarHBondContact O-CG 3.45Å
115T98.8Very high98.5Very high0 Ų022.9 Ų22.90%012%0.122CC..  trans-69.4128.3173.4-61.30000109.1R13 L33 Q109 W112 Y138 P140R13-T115 PolarHBondContact NH2-O 2.75Å; L33-T115 HydrophobicContact CD2-CG2 3.76Å; L33-T115 WeakPolarHBondContact CD2-O 3.37Å; Q109-T115 PolarHBondContact NE2-OG1 3.21Å; W112-T115 PolarHBondContact O-N 2.83Å; T115-Y138 HydrophobicContact CG2-CD1 4.11Å; T115-Y138 HydrophobicContact CG2-CG 4.42Å; T115-P140 WeakPolarHBondContact CB-O 3.5Å; T115-P140 PolarHBondContact OG1-O 2.94Å
116T98.6Very high98.4Very high53 Ų5329.6 Ų29.633%0.32515%0.147SC..  trans-112.8-32.2-177.855.60000112.3L33 K34 N114 G139L33-T116 WeakPolarHBondContact CA-O 3.16Å; K34-T116 PolarHBondContact N-O 3.22Å; N114-T116 PolarHBondContact O-N 2.93Å; T116-G139 PolarHBondContact N-O 3.46Å; T116-G139 VanDerWaalsContact N-O 3.1Å; T116-G139 PolarHBondContact OG1-O 3.23Å
117D98.8Very high98.2Very high33 Ų3336 Ų3618%0.17618%0.182CC..EExtended strand (participates in β ladder)trans-127.5145.9-170-70.1-108.4000110K34 N36 L39 F65 G139K34-D117 WeakPolarHBondContact O-CA 3.39Å; N36-D117 HydrophobicContact CB-CB 3.96Å; N36-D117 PolarHBondContact ND2-OD1 3.34Å; L39-D117 HydrophobicContact CD1-CB 4.09Å; F65-D117 HydrophobicContact CE1-CB 4.35Å; F65-D117 HydrophobicContact CE2-CB 4.09Å; F65-D117 HydrophobicContact CZ-CB 3.53Å; D117-G139 PolarHBondContact N-O 2.94Å; D117-G139 PolarHBondContact O-N 3.45Å
118F98.8Very high98.1Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-151.3162172.284.2-57.2000111.1F5 I6 H9 L33 K34 W35 N36 N137 Y138F5-F118 HydrophobicContact CB-CE2 3.97Å; F5-F118 HydrophobicContact CB-CZ 4.12Å; I6-F118 HydrophobicContact CB-CZ 4.49Å; I6-F118 HydrophobicContact CG1-CE1 4.08Å; I6-F118 HydrophobicContact CG1-CZ 3.99Å; H9-F118 HydrophobicContact CB-CE2 4.43Å; H9-F118 HydrophobicContact CB-CZ 4.41Å; H9-F118 AromaticContact CD2-CD2 3.88Å; H9-F118 AromaticContact CD2-CE2 3.93Å; H9-F118 AromaticContact CE1-CD2 3.77Å; H9-F118 AromaticContact CE1-CE2 3.4Å; H9-F118 WeakPolarHBondContact CE1-CE2 3.39Å; H9-F118 AromaticContact CG-CE2 3.67Å; H9-F118 AromaticContact ND1-CE2 3.33Å; H9-F118 VanDerWaalsContact ND1-CE2 3.33Å; H9-F118 WeakPolarHBondContact ND1-CE2 3.35Å; H9-F118 AromaticContact ND1-CZ 3.94Å; H9-F118 AromaticContact NE2-CD2 3.68Å; H9-F118 AromaticContact NE2-CE2 3.77Å; L33-F118 HydrophobicContact CB-CD1 3.57Å; L33-F118 HydrophobicContact CB-CE1 3.92Å; L33-F118 HydrophobicContact CB-CG 4.37Å; L33-F118 HydrophobicContact CD1-CB 4.16Å; L33-F118 HydrophobicContact CD1-CD1 4.03Å; L33-F118 HydrophobicContact CD1-CG 3.99Å; L33-F118 HydrophobicContact CG-CD1 4.43Å; K34-F118 WeakPolarHBondContact O-CD1 3.38Å; K34-F118 PolarHBondContact O-N 2.79Å; W35-F118 CarbonylContact C-O 3.53Å; W35-F118 WeakPolarHBondContact CA-O 3.4Å; W35-F118 HydrophobicContact CE3-CE1 4.18Å; W35-F118 HydrophobicContact CE3-CE2 4.32Å; W35-F118 AromaticContact CE3-CZ 3.93Å; W35-F118 HydrophobicContact CE3-CZ 3.93Å; W35-F118 HydrophobicContact CZ3-CE2 4.28Å; W35-F118 HydrophobicContact CZ3-CZ 4.27Å; N36-F118 PolarHBondContact N-O 2.8Å; F118-N137 CarbonylContact C-O 3.45Å; F118-N137 WeakPolarHBondContact CA-O 3.43Å; F118-N137 WeakPolarHBondContact CB-O 3.4Å; F118-Y138 HydrophobicContact CB-CD1 3.66Å; F118-Y138 HydrophobicContact CB-CE1 4.05Å; F118-Y138 HydrophobicContact CB-CG 4.49Å; F118-Y138 HydrophobicContact CD2-CE1 4.29Å
119G98.8Very high98Very high0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-156.9142173.400000110.4N137G119-N137 PolarHBondContact N-O 2.59Å; G119-N137 PolarHBondContact O-N 3.04Å
120C98.9Very high97.9Very high8 Ų847.4 Ų47.45%0.05424%0.244CC..EExtended strand (participates in β ladder)trans-124150.9-174.2-51.90000112.2F5 W35 I135 C136F5-C120 HydrophobicContact CD1-CB 3.86Å; F5-C120 WeakPolarHBondContact CD1-SG 3.36Å; F5-C120 HydrophobicContact CD2-CB 3.75Å; F5-C120 HydrophobicContact CE1-CB 3.66Å; F5-C120 HydrophobicContact CE2-CB 3.55Å; F5-C120 HydrophobicContact CG-CB 3.89Å; F5-C120 HydrophobicContact CZ-CB 3.51Å; W35-C120 HydrophobicContact CH2-CB 4.11Å; W35-C120 WeakPolarHBondContact CH2-O 3.37Å; W35-C120 HydrophobicContact CZ3-CB 4.21Å; C120-I135 CarbonylContact C-O 3.54Å; C120-I135 WeakPolarHBondContact CA-O 3.41Å; C120-I135 WeakPolarHBondContact CB-O 3.3Å; C120-C136 HydrophobicContact CB-CB 4.1Å; C120-C136 WeakPolarHBondContact CB-SG 3.43Å; C120-C136 WeakPolarHBondContact SG-CB 3.37Å; C120-C136 CovalentContact SG-SG 2.04Å; C120-C136 PolarHBondContact SG-SG 2.87Å
121G98.5Very high97.8Very high1 Ų149.7 Ų49.71%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-128148.4174.100000110.6Q44 I135Q44-G121 VanDerWaalsContact OE1-CA 3.29Å; G121-I135 PolarHBondContact N-O 3Å; G121-I135 PolarHBondContact O-N 3.48Å
122V98.3Very high97.8Very high17 Ų1751.2 Ų51.210%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-141132.4-177.9-175.50000110M1 F5 Q44 S47 L132 N133 V134M1-V122 HydrophobicContact CE-CB 4.41Å; M1-V122 HydrophobicContact SD-CB 3.73Å; M1-V122 HydrophobicContact SD-CG1 4.43Å; M1-V122 HydrophobicContact SD-CG2 3.5Å; M1-V122 VanDerWaalsContact SD-CG2 3.5Å; F5-V122 HydrophobicContact CE2-CG2 3.85Å; F5-V122 HydrophobicContact CZ-CG2 3.52Å; Q44-V122 PolarHBondContact NE2-O 3.25Å; Q44-V122 PolarHBondContact OE1-O 3.38Å; S47-V122 PolarHBondContact OG-N 3.48Å; V122-L132 HydrophobicContact CG1-CD1 3.38Å; V122-L132 HydrophobicContact CG1-CD2 4Å; V122-L132 HydrophobicContact CG1-CG 3.53Å; V122-N133 WeakPolarHBondContact CA-O 3.45Å; V122-V134 HydrophobicContact CG1-CG2 4.16Å; V122-V134 HydrophobicContact CG2-CG1 4.2Å; V122-V134 HydrophobicContact CG2-CG2 4.22Å
123T98.4Very high97.7Very high24 Ų2450.8 Ų50.815%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-135.4136.6177-51.20000110.1Q44 S47 D48 C125 N133Q44-T123 PolarHBondContact NE2-OG1 3.33Å; Q44-T123 VanDerWaalsContact NE2-OG1 3.14Å; S47-T123 WeakPolarHBondContact CB-OG1 3.26Å; S47-T123 WeakPolarHBondContact O-CB 3.25Å; S47-T123 PolarHBondContact O-OG1 3.01Å; S47-T123 PolarHBondContact OG-OG1 3.46Å; D48-T123 WeakPolarHBondContact CA-OG1 3.44Å; D48-T123 PolarHBondContact N-OG1 2.9Å; D48-T123 VanDerWaalsContact N-OG1 3.14Å; D48-T123 PolarHBondContact OD1-OG1 3.38Å; T123-C125 PolarHBondContact O-N 3.17Å; T123-N133 PolarHBondContact N-O 3.28Å; T123-N133 PolarHBondContact O-N 2.75Å
124E98.1Very high97.7Very high131 Ų13150 Ų5061%0.61226%0.259SS*.EExtended strand (participates in β ladder)trans-84.7105.3169.3-169179.4165.700110K126 N131E124-K126 PolarHBondContact O-N 3.45Å; E124-N131 CarbonylContact C-O 3.2Å; E124-N131 WeakPolarHBondContact CA-O 3.3Å; E124-N131 HydrophobicContact CG-CB 4.33Å; E124-N131 VanDerWaalsContact CG-ND2 3.27Å; E124-N131 WeakPolarHBondContact CG-ND2 3.48Å; E124-N131 PolarHBondContact OE1-ND2 2.95Å
125C98.2Very high97.8Very high2 Ų246 Ų461%0.01424%0.237CC..  trans-91.6100.2-176.7-65.60000110.8C50 T123 N127 M128 N131C50-C125 WeakPolarHBondContact CA-SG 3.38Å; C50-C125 HydrophobicContact CB-CB 3.68Å; C50-C125 WeakPolarHBondContact CB-SG 3.42Å; C50-C125 WeakPolarHBondContact SG-CA 3.36Å; C50-C125 WeakPolarHBondContact SG-CB 3.46Å; C50-C125 CovalentContact SG-SG 2.03Å; C50-C125 PolarHBondContact SG-SG 2.93Å; T123-C125 PolarHBondContact O-N 3.17Å; C125-N127 PolarHBondContact O-N 2.84Å; C125-M128 HydrophobicContact CB-CB 4.06Å; C125-M128 HydrophobicContact CB-CG 3.96Å; C125-M128 HydrophobicContact CB-SD 3.69Å; C125-M128 PolarHBondContact O-N 2.96Å; C125-N131 PolarHBondContact N-O 3.21Å; C125-N131 WeakPolarHBondContact O-CB 3.43Å
126K95.9Very high97.8Very high198 Ų19846 Ų4686%0.86124%0.237SC*.THydrogen-bonded Turntrans-55.9-24.7-174.9-64-178.8-179.3177.80115.1E124E124-K126 PolarHBondContact O-N 3.45Å
127N94.5Very high97.8Very high167 Ų16743.4 Ų43.489%0.89322%0.222SC*.THydrogen-bonded Turntrans-95.69.9-177.6-61.9-13.5000113.2C125C125-N127 PolarHBondContact O-N 2.84Å
128M95.8Very high97.8Very high36 Ų3641.9 Ų41.918%0.17721%0.213CC..SBendtrans-121.4147.2-177.7-67.6-177.5162.400111.3C50 L52 L74 C125 P130 N131C50-M128 VanDerWaalsContact C-CE 3.41Å; C50-M128 HydrophobicContact CB-CE 4.34Å; C50-M128 HydrophobicContact CB-SD 4.43Å; C50-M128 WeakPolarHBondContact O-CE 3.41Å; L52-M128 HydrophobicContact CD2-CE 3.63Å; L52-M128 HydrophobicContact CD2-SD 4.18Å; L52-M128 HydrophobicContact CG-CE 4.05Å; L74-M128 HydrophobicContact CD1-CB 4.09Å; L74-M128 HydrophobicContact CD1-SD 3.68Å; L74-M128 HydrophobicContact CD2-CB 4.13Å; L74-M128 HydrophobicContact CD2-SD 4.24Å; C125-M128 HydrophobicContact CB-CB 4.06Å; C125-M128 HydrophobicContact CB-CG 3.96Å; C125-M128 HydrophobicContact CB-SD 3.69Å; C125-M128 PolarHBondContact O-N 2.96Å; M128-P130 CarbonylContact C-O 3.53Å; M128-P130 WeakPolarHBondContact CB-O 3.36Å; M128-P130 CarbonylContact O-C 3.56Å; M128-N131 WeakPolarHBondContact O-CA 3.49Å; M128-N131 VanDerWaalsContact O-CB 3.31Å; M128-N131 WeakPolarHBondContact O-CB 3.48Å
129L95.7Very high97.8Very high168 Ų16841.9 Ų41.988%0.8821%0.213SC*.SBendtrans-135.9115.4170.2-171.968.7000109.7
130P96.4Very high97.8Very high45 Ų4544 Ų4429%0.29223%0.227SC..SBendcis-58.1162.4-5.8-1931.7000113.4L74 T75 P76 M128L74-P130 WeakPolarHBondContact CD1-O 3.29Å; L74-P130 VanDerWaalsContact CD2-O 3.31Å; L74-P130 WeakPolarHBondContact CD2-O 3.49Å; L74-P130 WeakPolarHBondContact CG-O 3.39Å; T75-P130 WeakPolarHBondContact O-CB 3.45Å; P76-P130 HydrophobicContact CB-CB 4.31Å; P76-P130 VanDerWaalsContact N-CB 3.35Å; M128-P130 CarbonylContact C-O 3.53Å; M128-P130 WeakPolarHBondContact CB-O 3.36Å; M128-P130 CarbonylContact O-C 3.56Å
131N97.3Very high97.7Very high47 Ų4743.8 Ų43.825%0.25123%0.227SC..  trans-105-10.2-170.266.9-16.5000114.8E124 C125 M128 N133E124-N131 CarbonylContact C-O 3.2Å; E124-N131 WeakPolarHBondContact CA-O 3.3Å; E124-N131 HydrophobicContact CG-CB 4.33Å; E124-N131 VanDerWaalsContact CG-ND2 3.27Å; E124-N131 WeakPolarHBondContact CG-ND2 3.48Å; E124-N131 PolarHBondContact OE1-ND2 2.95Å; C125-N131 PolarHBondContact N-O 3.21Å; C125-N131 WeakPolarHBondContact O-CB 3.43Å; M128-N131 WeakPolarHBondContact O-CA 3.49Å; M128-N131 VanDerWaalsContact O-CB 3.31Å; M128-N131 WeakPolarHBondContact O-CB 3.48Å; N131-N133 PolarHBondContact O-N 3.14Å
132L98.1Very high97.7Very high33 Ų3343.8 Ų43.817%0.17323%0.226CC..EExtended strand (participates in β ladder)trans-87.9106.6179.8-157.670.3000110.2L74 T75 L78 V122 V134L74-L132 WeakPolarHBondContact CA-O 3.43Å; T75-L132 HydrophobicContact CG2-CB 4.11Å; T75-L132 HydrophobicContact CG2-CD2 4.22Å; T75-L132 PolarHBondContact N-O 2.95Å; T75-L132 WeakPolarHBondContact O-CA 3.37Å; T75-L132 WeakPolarHBondContact O-CB 3.29Å; T75-L132 PolarHBondContact O-N 2.97Å; L78-L132 HydrophobicContact CB-CD2 4.18Å; V122-L132 HydrophobicContact CG1-CD1 3.38Å; V122-L132 HydrophobicContact CG1-CD2 4Å; V122-L132 HydrophobicContact CG1-CG 3.53Å; L132-V134 HydrophobicContact CD2-CG2 4.04Å; L132-V134 HydrophobicContact CG-CG2 4.02Å
133N98.2Very high97.7Very high0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-87.9112.6174.7-169.426.9000109.3S47 W72 L74 V122 T123 N131S47-N133 WeakPolarHBondContact CA-ND2 3.42Å; S47-N133 PolarHBondContact O-ND2 2.85Å; W72-N133 PolarHBondContact NE1-OD1 2.93Å; L74-N133 HydrophobicContact CD1-CB 4.27Å; V122-N133 WeakPolarHBondContact CA-O 3.45Å; T123-N133 PolarHBondContact N-O 3.28Å; T123-N133 PolarHBondContact O-N 2.75Å; N131-N133 PolarHBondContact O-N 3.14Å
134V98.5Very high97.6Very high2 Ų248.7 Ų48.71%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-116.1123.3-174.1-177.60000109.8F5 W72 A73 T75 L78 W85 V122 L132F5-V134 HydrophobicContact CE1-CG1 4.06Å; F5-V134 HydrophobicContact CZ-CG1 4.05Å; W72-V134 WeakPolarHBondContact CA-O 3Å; A73-V134 PolarHBondContact N-O 3.15Å; A73-V134 PolarHBondContact O-N 3.2Å; T75-V134 HydrophobicContact CG2-CG2 3.94Å; L78-V134 HydrophobicContact CD1-CG1 3.88Å; L78-V134 HydrophobicContact CD1-CG2 4.01Å; W85-V134 HydrophobicContact CH2-CG1 3.87Å; W85-V134 HydrophobicContact CZ2-CG1 4.47Å; V122-V134 HydrophobicContact CG1-CG2 4.16Å; V122-V134 HydrophobicContact CG2-CG1 4.2Å; V122-V134 HydrophobicContact CG2-CG2 4.22Å; L132-V134 HydrophobicContact CD2-CG2 4.04Å; L132-V134 HydrophobicContact CG-CG2 4.02Å
135I98.6Very high97.4Very high0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-119.4134.3176.9-48.2-61.1000108.8A43 F46 Q70 N71 W72 C120 G121A43-I135 HydrophobicContact CB-CB 3.99Å; A43-I135 HydrophobicContact CB-CG2 3.8Å; F46-I135 HydrophobicContact CD1-CD1 3.56Å; F46-I135 HydrophobicContact CD1-CG1 3.87Å; F46-I135 HydrophobicContact CD1-CG2 4.19Å; F46-I135 HydrophobicContact CE1-CD1 3.76Å; Q70-I135 HydrophobicContact CG-CG2 3.83Å; N71-I135 WeakPolarHBondContact O-CA 3.5Å; W72-I135 HydrophobicContact CB-CD1 4.46Å; W72-I135 HydrophobicContact CG-CD1 4.21Å; C120-I135 CarbonylContact C-O 3.54Å; C120-I135 WeakPolarHBondContact CA-O 3.41Å; C120-I135 WeakPolarHBondContact CB-O 3.3Å; G121-I135 PolarHBondContact N-O 3Å; G121-I135 PolarHBondContact O-N 3.48Å
136C98.9Very high97.3Very high0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-128.3124.9165.5-71.10000109.6Q70 N71 W85 C120 Y138Q70-C136 CarbonylContact C-O 3.51Å; Q70-C136 VanDerWaalsContact CA-O 3.24Å; Q70-C136 WeakPolarHBondContact CA-O 3.45Å; N71-C136 PolarHBondContact N-O 3.38Å; N71-C136 PolarHBondContact O-N 3.4Å; W85-C136 HydrophobicContact CH2-CB 4.24Å; W85-C136 HydrophobicContact CZ3-CB 4.38Å; C120-C136 HydrophobicContact CB-CB 4.1Å; C120-C136 WeakPolarHBondContact CB-SG 3.43Å; C120-C136 WeakPolarHBondContact SG-CB 3.37Å; C120-C136 CovalentContact SG-SG 2.04Å; C120-C136 PolarHBondContact SG-SG 2.87Å; C136-Y138 HydrophobicContact CB-CE2 3.97Å; C136-Y138 WeakPolarHBondContact O-CD2 3.4Å; C136-Y138 WeakPolarHBondContact O-CE2 3.27Å
137N98.9Very high97.4Very high0 Ų047.7 Ų47.70%028%0.276CS..EExtended strand (participates in β ladder)trans-101.1142.8176-71.5-25.8000110.3L39 A43 R60 V68 G69 Q70 F118 G119L39-N137 HydrophobicContact CB-CB 4.16Å; L39-N137 HydrophobicContact CD2-CB 4.13Å; L39-N137 PolarHBondContact O-ND2 2.98Å; A43-N137 PolarHBondContact N-ND2 3.12Å; R60-N137 WeakPolarHBondContact CD-OD1 3.12Å; V68-N137 HydrophobicContact CG1-CB 3.79Å; G69-N137 CarbonylContact O-C 3.51Å; G69-N137 VanDerWaalsContact O-CA 3.3Å; G69-N137 WeakPolarHBondContact O-CA 3.2Å; Q70-N137 WeakPolarHBondContact CG-OD1 3.45Å; Q70-N137 PolarHBondContact NE2-OD1 3.06Å; F118-N137 CarbonylContact C-O 3.45Å; F118-N137 WeakPolarHBondContact CA-O 3.43Å; F118-N137 WeakPolarHBondContact CB-O 3.4Å; G119-N137 PolarHBondContact N-O 2.59Å; G119-N137 PolarHBondContact O-N 3.04Å
138Y98.9Very high97.5Very high0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-128129.1-171.9-57.5-85.3000111.8H9 L33 V68 G69 N71 Q109 L110 T115 F118 C136 P140 G141H9-Y138 AromaticContact CD2-CE1 3.71Å; H9-Y138 AromaticContact NE2-CE1 3.5Å; H9-Y138 WeakPolarHBondContact NE2-CE1 3.48Å; H9-Y138 AromaticContact NE2-CZ 3.68Å; H9-Y138 PolarHBondContact NE2-OH 3.17Å; L33-Y138 HydrophobicContact CD1-CD1 4.39Å; L33-Y138 HydrophobicContact CD1-CE1 4.43Å; V68-Y138 CarbonylContact C-O 3.52Å; V68-Y138 VanDerWaalsContact CA-O 3.26Å; V68-Y138 WeakPolarHBondContact CA-O 3.35Å; G69-Y138 PolarHBondContact N-O 3.02Å; G69-Y138 PolarHBondContact O-N 3.02Å; N71-Y138 HydrophobicContact CB-CE2 3.82Å; N71-Y138 PolarHBondContact ND2-OH 3.39Å; N71-Y138 VanDerWaalsContact ND2-OH 3.07Å; Q109-Y138 HydrophobicContact CG-CD1 4.27Å; Q109-Y138 HydrophobicContact CG-CD2 3.27Å; Q109-Y138 HydrophobicContact CG-CE1 4.39Å; Q109-Y138 HydrophobicContact CG-CE2 3.41Å; Q109-Y138 VanDerWaalsContact CG-CE2 3.41Å; Q109-Y138 HydrophobicContact CG-CG 3.71Å; L110-Y138 WeakPolarHBondContact CD2-OH 3.38Å; T115-Y138 HydrophobicContact CG2-CD1 4.11Å; T115-Y138 HydrophobicContact CG2-CG 4.42Å; F118-Y138 HydrophobicContact CB-CD1 3.66Å; F118-Y138 HydrophobicContact CB-CE1 4.05Å; F118-Y138 HydrophobicContact CB-CG 4.49Å; F118-Y138 HydrophobicContact CD2-CE1 4.29Å; C136-Y138 HydrophobicContact CB-CE2 3.97Å; C136-Y138 WeakPolarHBondContact O-CD2 3.4Å; C136-Y138 WeakPolarHBondContact O-CE2 3.27Å; Y138-P140 CarbonylContact O-C 3.56Å; Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.86Å; Y138-G141 VanDerWaalsContact O-N 3.16Å
139G98.7Very high97.6Very high0 Ų041.4 Ų41.40%024%0.24CC..EExtended strand (participates in β ladder)trans-125.2125-178.700000112.2F65 T116 D117F65-G139 WeakPolarHBondContact CE1-O 3.36Å; T116-G139 PolarHBondContact N-O 3.46Å; T116-G139 VanDerWaalsContact N-O 3.1Å; T116-G139 PolarHBondContact OG1-O 3.23Å; D117-G139 PolarHBondContact N-O 2.94Å; D117-G139 PolarHBondContact O-N 3.45Å
140P98.4Very high97.8Very high45 Ų4533.6 Ų33.629%0.29220%0.198SC..SBendcis-60.6151.6-20.329.2-36.2000111.3N114 T115 Y138N114-P140 VanDerWaalsContact O-CD 3.28Å; N114-P140 WeakPolarHBondContact O-CD 3.44Å; N114-P140 WeakPolarHBondContact O-CG 3.45Å; T115-P140 WeakPolarHBondContact CB-O 3.5Å; T115-P140 PolarHBondContact OG1-O 2.94Å; Y138-P140 CarbonylContact O-C 3.56Å
141G98.3Very high97.9Very high4 Ų437.5 Ų37.54%0.04121%0.207CC..  trans-65.5151.4174.700000112.8Y67 Y138Y67-G141 VanDerWaalsContact CD1-CA 3.46Å; Y67-G141 PolarHBondContact O-N 2.62Å; Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.86Å; Y138-G141 VanDerWaalsContact O-N 3.16Å
142G98Very high97.9Very high0 Ų038.1 Ų38.10%021%0.213CC..  trans-95.9-156.4177.500000113.5Y67 I144Y67-G142 WeakPolarHBondContact CE1-O 3.31Å; G142-I144 VanDerWaalsContact C-N 3.27Å; G142-I144 PolarHBondContact O-N 3.14Å
143N97.6Very high97.3Very high58 Ų5841.7 Ų41.731%0.3125%0.247SC..  trans58.633.6175-57.6-27.6000114.5T105 T108 W112 L145T105-N143 PolarHBondContact O-ND2 3.28Å; T108-N143 WeakPolarHBondContact CB-OD1 3.15Å; T108-N143 PolarHBondContact OG1-OD1 2.85Å; W112-N143 VanDerWaalsContact CH2-N 3.33Å; N143-L145 PolarHBondContact O-N 3.22Å
144I96.7Very high97.3Very high86 Ų8643.8 Ų43.844%0.44126%0.26SS..  trans-66.1127.2173.1-52.6-57.8000109.3Y67 W112 G142 G146 V147Y67-I144 HydrophobicContact CD1-CD1 4.37Å; W112-I144 HydrophobicContact CH2-CB 4.16Å; W112-I144 HydrophobicContact CH2-CG1 4.44Å; W112-I144 VanDerWaalsContact CH2-N 3.27Å; W112-I144 HydrophobicContact CZ2-CB 3.94Å; W112-I144 HydrophobicContact CZ2-CG1 3.79Å; G142-I144 VanDerWaalsContact C-N 3.27Å; G142-I144 PolarHBondContact O-N 3.14Å; I144-G146 PolarHBondContact O-N 3.37Å; I144-V147 HydrophobicContact CB-CB 4.11Å; I144-V147 HydrophobicContact CB-CG2 4Å; I144-V147 HydrophobicContact CG2-CB 4.43Å; I144-V147 HydrophobicContact CG2-CG2 3.76Å; I144-V147 WeakPolarHBondContact O-CB 3.44Å; I144-V147 PolarHBondContact O-N 2.99Å
145L94.4Very high97.2Very high173 Ų17346 Ų4691%0.90627%0.273SS*.THydrogen-bonded Turntrans-54129.6-175.7-175.166000111.8N143 V147N143-L145 PolarHBondContact O-N 3.22Å; L145-V147 PolarHBondContact O-N 3.16Å
146G95.2Very high97.2Very high68 Ų6848.6 Ų48.670%0.70129%0.288SS*.THydrogen-bonded Turntrans76.5-3.5178.800000114.9I144I144-G146 PolarHBondContact O-N 3.37Å
147V97.5Very high97.1Very high69 Ų6951.4 Ų51.442%0.41831%0.305SS..  trans-99.8136179.2-174.30000109.6N97 W112 I144 L145N97-V147 PolarHBondContact ND2-O 3.26Å; N97-V147 VanDerWaalsContact ND2-O 3.13Å; W112-V147 HydrophobicContact CH2-CB 4.06Å; W112-V147 HydrophobicContact CH2-CG1 4.15Å; W112-V147 HydrophobicContact CZ2-CB 4.31Å; W112-V147 HydrophobicContact CZ2-CG1 4.08Å; I144-V147 HydrophobicContact CB-CB 4.11Å; I144-V147 HydrophobicContact CB-CG2 4Å; I144-V147 HydrophobicContact CG2-CB 4.43Å; I144-V147 HydrophobicContact CG2-CG2 3.76Å; I144-V147 WeakPolarHBondContact O-CB 3.44Å; I144-V147 PolarHBondContact O-N 2.99Å; L145-V147 PolarHBondContact O-N 3.16Å
148K98.1Very high96.9Very high71 Ų7154.6 Ų54.631%0.30932%0.324SS..  trans-75.9150.8173.4-66.9-172.6-175.6-165.30110.1Y94 N95 N97 Y150Y94-K148 HydrophobicContact CD1-CD 4.29Å; Y94-K148 HydrophobicContact CE1-CD 3.79Å; Y94-K148 HydrophobicContact CE2-CB 4.21Å; Y94-K148 HydrophobicContact CE2-CD 4.12Å; Y94-K148 WeakPolarHBondContact O-CD 3.31Å; Y94-K148 WeakPolarHBondContact O-CE 3.38Å; Y94-K148 PolarHBondContact O-NZ 2.86Å; N95-K148 PolarHBondContact O-NZ 3.01Å; N97-K148 HydrophobicContact CB-CG 3.99Å; K148-Y150 PolarHBondContact O-N 3.29Å
149P98.3Very high96.8Very high1 Ų158.3 Ų58.31%0.00635%0.346CS..SBendtrans-65.4-24.8-176.426.2-34.4000113.7Y92 T108 I111 W112 E113Y92-P149 HydrophobicContact CE1-CG 3.93Å; Y92-P149 WeakPolarHBondContact OH-CD 2.99Å; T108-P149 HydrophobicContact CG2-CG 4.27Å; I111-P149 HydrophobicContact CD1-CB 3.93Å; I111-P149 HydrophobicContact CD1-CG 3.72Å; I111-P149 HydrophobicContact CG1-CB 4.28Å; W112-P149 CarbonylContact C-O 3.42Å; W112-P149 WeakPolarHBondContact CA-O 2.97Å; W112-P149 VanDerWaalsContact CE3-CA 3.44Å; W112-P149 HydrophobicContact CE3-CB 3.68Å; W112-P149 HydrophobicContact CZ3-CB 4.04Å; E113-P149 PolarHBondContact N-O 3.41Å
150Y98.6Very high96.7Very high3 Ų362.4 Ų62.41%0.01237%0.37CS..SBendtrans-152169.5175.856.2-90.9000110.6V16 P25 A27 M30 Y94 I111 K148V16-Y150 HydrophobicContact CG1-CD1 3.94Å; V16-Y150 HydrophobicContact CG1-CD2 4.47Å; V16-Y150 HydrophobicContact CG1-CE1 3.52Å; V16-Y150 HydrophobicContact CG1-CE2 4.08Å; V16-Y150 HydrophobicContact CG1-CG 4.41Å; P25-Y150 WeakPolarHBondContact CD-OH 3.25Å; P25-Y150 HydrophobicContact CG-CE2 4.17Å; P25-Y150 WeakPolarHBondContact O-CE2 3.48Å; P25-Y150 PolarHBondContact O-OH 3.4Å; P25-Y150 VanDerWaalsContact O-OH 3.06Å; A27-Y150 HydrophobicContact CB-CD2 3.46Å; A27-Y150 VanDerWaalsContact CB-CD2 3.46Å; A27-Y150 HydrophobicContact CB-CE2 3.92Å; A27-Y150 HydrophobicContact CB-CG 3.88Å; M30-Y150 HydrophobicContact CE-CD1 3.88Å; M30-Y150 HydrophobicContact CE-CG 3.9Å; Y94-Y150 AromaticContact CD2-CE1 3.92Å; Y94-Y150 HydrophobicContact CD2-CE1 3.92Å; Y94-Y150 AromaticContact CD2-CE2 3.93Å; Y94-Y150 HydrophobicContact CD2-CE2 3.93Å; Y94-Y150 AromaticContact CD2-CZ 3.53Å; Y94-Y150 WeakPolarHBondContact CD2-OH 3.5Å; Y94-Y150 HydrophobicContact CE2-CD1 4.2Å; Y94-Y150 AromaticContact CE2-CD2 3.71Å; Y94-Y150 HydrophobicContact CE2-CD2 3.71Å; Y94-Y150 AromaticContact CE2-CE1 3.87Å; Y94-Y150 HydrophobicContact CE2-CE1 3.87Å; Y94-Y150 AromaticContact CE2-CE2 3.4Å; Y94-Y150 HydrophobicContact CE2-CE2 3.4Å; Y94-Y150 HydrophobicContact CE2-CG 4.11Å; Y94-Y150 AromaticContact CE2-CZ 3.47Å; Y94-Y150 VanDerWaalsContact CE2-CZ 3.47Å; Y94-Y150 WeakPolarHBondContact CE2-O 3.49Å; Y94-Y150 AromaticContact CZ-CE2 3.97Å; Y94-Y150 PolarHBondContact OH-O 3.27Å; I111-Y150 HydrophobicContact CD1-CD1 3.83Å; I111-Y150 HydrophobicContact CD1-CE1 3.49Å; I111-Y150 VanDerWaalsContact CD1-CE1 3.49Å; K148-Y150 PolarHBondContact O-N 3.29Å
151R98.2Very high96.6Very high127 Ų12763.8 Ų63.848%0.47938%0.376SS..  trans-93.1144.1166.8-69.9166.7-69.7-116.6-8.2110.4R28 E113R28-R151 HydrophobicContact CB-CB 4.39Å; R28-R151 WeakPolarHBondContact CB-O 3.46Å; R28-R151 PolarHBondContact N-O 2.9Å; E113-R151 IonicContact OE1-CZ 3.4Å; E113-R151 PolarHBondContact OE1-N 2.78Å; E113-R151 IonicContact OE1-NE 3.34Å; E113-R151 PolarHBondContact OE1-NE 2.86Å; E113-R151 IonicContact OE1-NH1 3.14Å; E113-R151 IonicContact OE1-NH2 2.82Å; E113-R151 PolarHBondContact OE1-NH2 2.75Å; E113-R151 VanDerWaalsContact OE1-NH2 3.14Å; E113-R151 IonicContact OE2-CZ 3.99Å; E113-R151 IonicContact OE2-NE 3.76Å; E113-R151 PolarHBondContact OE2-NE 3.5Å; E113-R151 IonicContact OE2-NH2 3.13Å; E113-R151 PolarHBondContact OE2-NH2 3.02Å
152T97.3Very high96.4Very high60 Ų6068.8 Ų68.837%0.36840%0.404SS..BIsolated β-bridgetrans-80151.5176.759.30000112.1P25 E26 R28 Y94P25-T152 HydrophobicContact CB-CG2 3.61Å; P25-T152 HydrophobicContact CG-CG2 3.44Å; P25-T152 VanDerWaalsContact CG-CG2 3.44Å; E26-T152 VanDerWaalsContact O-CA 3.31Å; E26-T152 WeakPolarHBondContact O-CA 3.23Å; R28-T152 WeakPolarHBondContact CB-O 3.48Å; Y94-T152 HydrophobicContact CD1-CG2 4.25Å; Y94-T152 HydrophobicContact CE1-CG2 3.29Å; Y94-T152 HydrophobicContact CE2-CG2 4.44Å; Y94-T152 VanDerWaalsContact CZ-CG2 3.4Å; Y94-T152 WeakPolarHBondContact OH-CG2 2.89Å; Y94-T152 PolarHBondContact OH-N 3.02Å
153A87Confident96.3Very high109 Ų10975 Ų7590%0.90144%0.441SS*.  trans-59.40169.500000112.2E26E26-A153 HydrophobicContact CB-CB 4.4Å; E26-A153 HydrophobicContact CG-CB 4.39Å; E26-A153 PolarHBondContact O-N 2.03Å

Retrieved 153 of 153 residues in 126.5 ms (Link to these results)

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