A0A087XDB3_POEFO Loading...

FAU ubiquitin like and ribosomal protein S30 fusion a

AlphaFold DB (A0A3B3TY03), UniProt , Accession A0A087XDB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 133 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
1M92.1Very high94.7Very high51 Ų5169.4 Ų69.425%0.25135%0.346SS..  0130.5076.1171.5-155.200106.7L3 E14 V15 L54 V59 E61M1-L3 HydrophobicContact CE-CD1 3.76Å; M1-L3 HydrophobicContact CE-CD2 3.79Å; M1-L3 HydrophobicContact CE-CG 3.9Å; M1-E14 PolarHBondContact N-OE2 3.18Å; M1-V15 HydrophobicContact CE-CG2 3.54Å; M1-V15 HydrophobicContact CG-CG2 3.51Å; M1-V15 WeakPolarHBondContact CG-O 3.26Å; M1-V15 PolarHBondContact N-O 2.76Å; M1-V15 WeakPolarHBondContact O-CG2 3.37Å; M1-V15 PolarHBondContact O-N 3.49Å; M1-V15 HydrophobicContact SD-CG2 4.35Å; M1-L54 HydrophobicContact CE-CB 4.39Å; M1-L54 HydrophobicContact CE-CD1 4.15Å; M1-V59 HydrophobicContact CE-CB 4.49Å; M1-V59 HydrophobicContact CE-CG1 3.84Å; M1-E61 HydrophobicContact CB-CB 4.24Å; M1-E61 HydrophobicContact CB-CG 4.34Å
2Q94.6Very high94.9Very high56 Ų5671.3 Ų71.326%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-87136.5-179-169.7174.560.100110.6L13 E14 H62Q2-L13 CarbonylContact C-O 3.6Å; Q2-L13 WeakPolarHBondContact CA-O 3.23Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.47Å; Q2-H62 WeakPolarHBondContact O-CA 3.37Å; Q2-H62 PolarHBondContact O-N 3.3Å
3L96Very high94.9Very high0 Ų067.2 Ų67.20%034%0.343CS..EExtended strand (participates in β ladder)trans-123.6155.8173.7-65.6-178.4000111.3M1 T12 L13 V15 L54 V59 T60 C63 L65M1-L3 HydrophobicContact CE-CD1 3.76Å; M1-L3 HydrophobicContact CE-CD2 3.79Å; M1-L3 HydrophobicContact CE-CG 3.9Å; L3-T12 CarbonylContact O-C 3.58Å; L3-T12 WeakPolarHBondContact O-CA 3.5Å; L3-L13 PolarHBondContact N-O 3.24Å; L3-L13 PolarHBondContact O-N 2.91Å; L3-V15 HydrophobicContact CD1-CG2 3.61Å; L3-V15 HydrophobicContact CG-CG2 3.91Å; L3-L54 HydrophobicContact CD1-CD1 4.01Å; L3-V59 HydrophobicContact CD1-CG1 3.86Å; L3-V59 HydrophobicContact CD2-CG1 3.53Å; L3-V59 HydrophobicContact CG-CG1 4.36Å; L3-T60 VanDerWaalsContact CD2-O 3.26Å; L3-T60 WeakPolarHBondContact CD2-O 3.28Å; L3-C63 HydrophobicContact CD2-CB 3.89Å; L3-L65 HydrophobicContact CD1-CD1 4.43Å
4F96.9Very high94.9Very high60 Ų6071.8 Ų71.826%0.26336%0.363SS..EExtended strand (participates in β ladder)trans-109127.8170.3-57.1-79.2000109.6H11 T12 H62 C63 T64 L65F4-H11 CarbonylContact C-O 3.59Å; F4-H11 WeakPolarHBondContact CA-O 3.29Å; F4-T12 HydrophobicContact CD1-CG2 3.82Å; F4-T12 HydrophobicContact CE1-CG2 3.7Å; F4-H62 HydrophobicContact CE2-CB 4.06Å; F4-C63 PolarHBondContact N-O 3.17Å; F4-T64 HydrophobicContact CB-CG2 4.15Å; F4-T64 CarbonylContact O-C 3.57Å; F4-T64 VanDerWaalsContact O-CA 3.25Å; F4-T64 WeakPolarHBondContact O-CA 3.31Å; F4-L65 PolarHBondContact O-N 3.4Å
5L96.1Very high94.7Very high2 Ų267.7 Ų67.71%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-104.4122171.8-57.7178.3000107.9T10 H11 L13 I24 V28 L65L5-T10 CarbonylContact O-C 3.56Å; L5-T10 VanDerWaalsContact O-CA 3.31Å; L5-T10 WeakPolarHBondContact O-CA 3.48Å; L5-H11 HydrophobicContact CB-CB 4.36Å; L5-H11 PolarHBondContact N-O 3.38Å; L5-H11 PolarHBondContact O-N 2.73Å; L5-L13 HydrophobicContact CD1-CB 4.4Å; L5-L13 HydrophobicContact CD1-CD1 4.46Å; L5-L13 HydrophobicContact CD1-CD2 4.4Å; L5-I24 HydrophobicContact CD1-CG2 4.38Å; L5-I24 HydrophobicContact CD2-CG2 3.91Å; L5-V28 HydrophobicContact CD1-CG2 3.83Å; L5-L65 HydrophobicContact CD2-CB 3.89Å; L5-L65 HydrophobicContact CD2-CD1 3.97Å; L5-L65 HydrophobicContact CD2-CG 4.38Å
6R96.3Very high94.5Very high150 Ų15070.2 Ų70.257%0.56636%0.363SS*.EExtended strand (participates in β ladder)trans-111.599.2179.3-175.4-179177.9176.80.2109.5T64 L65 E66 V67R6-T64 HydrophobicContact CB-CG2 3.91Å; R6-L65 PolarHBondContact N-O 3.31Å; R6-E66 WeakPolarHBondContact O-CA 3.35Å; R6-V67 PolarHBondContact O-N 3.16Å
7G92.5Very high93.9Very high28 Ų2866.4 Ų66.429%0.28935%0.345SS..SBendtrans-120.9-124.8174.800000111.2N9 E32G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact N-O 3.44Å; G7-E32 WeakPolarHBondContact CA-OE1 3.45Å
8Q90.9Very high93.6Very high168 Ų16870.7 Ų70.779%0.78536%0.363SS*.SBendtrans-63.8-39.7168.7-66-70.71.900110.5E32Q8-E32 PolarHBondContact N-OE1 3.4Å
9N94.1Very high93.6Very high105 Ų10568.8 Ų68.856%0.56135%0.352SS*.SBendtrans-122.2169.5173.3-67.6-48000109.9G7 E32G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact N-O 3.44Å; N9-E32 PolarHBondContact N-OE1 3.3Å; N9-E32 VanDerWaalsContact N-OE1 3.09Å
10T95.9Very high93.8Very high101 Ų10167.7 Ų67.762%0.6235%0.349SS*.EExtended strand (participates in β ladder)trans-98.9124.7171.4-55.60000109.3L5L5-T10 CarbonylContact O-C 3.56Å; L5-T10 VanDerWaalsContact O-CA 3.31Å; L5-T10 WeakPolarHBondContact O-CA 3.48Å
11H96.2Very high93.9Very high42 Ų4264.5 Ų64.519%0.19433%0.333CS..EExtended strand (participates in β ladder)trans-120145.9179.5-59.3-74.5000110.8F4 L5 L31 E32F4-H11 CarbonylContact C-O 3.59Å; F4-H11 WeakPolarHBondContact CA-O 3.29Å; L5-H11 HydrophobicContact CB-CB 4.36Å; L5-H11 PolarHBondContact N-O 3.38Å; L5-H11 PolarHBondContact O-N 2.73Å; H11-L31 HydrophobicContact CB-CD1 4.04Å; H11-E32 IonicContact CD2-OE1 3.86Å; H11-E32 IonicContact NE2-OE1 3.72Å
12T96.6Very high94.1Very high92 Ų9263.1 Ų63.156%0.56433%0.332SS*.EExtended strand (participates in β ladder)trans-98.7131.5170.1520000109.7L3 F4L3-T12 CarbonylContact O-C 3.58Å; L3-T12 WeakPolarHBondContact O-CA 3.5Å; F4-T12 HydrophobicContact CD1-CG2 3.82Å; F4-T12 HydrophobicContact CE1-CG2 3.7Å
13L95Very high94.1Very high18 Ų1865 Ų659%0.09434%0.341CS..EExtended strand (participates in β ladder)trans-125.1128.5-179.6-16186.8000109.8Q2 L3 L5 V15 I24 H27Q2-L13 CarbonylContact C-O 3.6Å; Q2-L13 WeakPolarHBondContact CA-O 3.23Å; L3-L13 PolarHBondContact N-O 3.24Å; L3-L13 PolarHBondContact O-N 2.91Å; L5-L13 HydrophobicContact CD1-CB 4.4Å; L5-L13 HydrophobicContact CD1-CD1 4.46Å; L5-L13 HydrophobicContact CD1-CD2 4.4Å; L13-V15 HydrophobicContact CB-CG1 4.5Å; L13-V15 HydrophobicContact CD2-CG1 3.24Å; L13-V15 HydrophobicContact CG-CG1 3.8Å; L13-I24 HydrophobicContact CD2-CD1 3.64Å; L13-H27 HydrophobicContact CD1-CB 4.09Å
14E94.8Very high94.1Very high132 Ų13265 Ų6562%0.61734%0.341SS*.EExtended strand (participates in β ladder)trans-92.3124.1169.3-81.5-65.3162.900109.6M1 Q2M1-E14 PolarHBondContact N-OE2 3.18Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.47Å
15V93.2Very high94Very high10 Ų1062.5 Ų62.56%0.06133%0.33CS..  trans-136.6158.4-177.3-59.10000111.5M1 L3 L13 E19 I24 L54M1-V15 HydrophobicContact CE-CG2 3.54Å; M1-V15 HydrophobicContact CG-CG2 3.51Å; M1-V15 WeakPolarHBondContact CG-O 3.26Å; M1-V15 PolarHBondContact N-O 2.76Å; M1-V15 WeakPolarHBondContact O-CG2 3.37Å; M1-V15 PolarHBondContact O-N 3.49Å; M1-V15 HydrophobicContact SD-CG2 4.35Å; L3-V15 HydrophobicContact CD1-CG2 3.61Å; L3-V15 HydrophobicContact CG-CG2 3.91Å; L13-V15 HydrophobicContact CB-CG1 4.5Å; L13-V15 HydrophobicContact CD2-CG1 3.24Å; L13-V15 HydrophobicContact CG-CG1 3.8Å; V15-E19 WeakPolarHBondContact CB-OE2 3.43Å; V15-I24 HydrophobicContact CG1-CD1 3.96Å; V15-L54 HydrophobicContact CB-CD1 4.42Å; V15-L54 HydrophobicContact CG2-CD1 3.96Å
16T90.4Very high94Very high108 Ų10864.9 Ų64.966%0.66335%0.35SS*.  trans-83-16.4177.464.40000113Q18 E19T16-Q18 VanDerWaalsContact C-N 3.29Å; T16-E19 WeakPolarHBondContact CB-OE1 3.41Å; T16-E19 VanDerWaalsContact N-CD 3.32Å; T16-E19 PolarHBondContact N-OE1 3.13Å; T16-E19 PolarHBondContact N-OE2 2.8Å; T16-E19 VanDerWaalsContact N-OE2 3.09Å; T16-E19 PolarHBondContact OG1-OE1 3.05Å; T16-E19 PolarHBondContact OG1-OE2 2.95Å
17G83.9Confident94Very high6 Ų662 Ų626%0.06234%0.342CS..SBendtrans87.5-8.4-176.900000114.1E19 A55G17-E19 WeakPolarHBondContact CA-OE2 3.48Å; G17-E19 PolarHBondContact N-OE2 3.4Å; G17-A55 PolarHBondContact O-N 3.09Å
18Q90.1Very high94.1Very high143 Ų14360.8 Ų60.867%0.66833%0.329SS*.  trans-93-7.5174.9-62.2-59.7-46.200112.5T16T16-Q18 VanDerWaalsContact C-N 3.29Å
19E93.6Very high94.3Very high35 Ų3556.6 Ų56.616%0.16431%0.31CS..  trans-61.5150.7177.3-63.579.7-174.700111.1V15 T16 G17 Q23 I24 S53 L54V15-E19 WeakPolarHBondContact CB-OE2 3.43Å; T16-E19 WeakPolarHBondContact CB-OE1 3.41Å; T16-E19 VanDerWaalsContact N-CD 3.32Å; T16-E19 PolarHBondContact N-OE1 3.13Å; T16-E19 PolarHBondContact N-OE2 2.8Å; T16-E19 VanDerWaalsContact N-OE2 3.09Å; T16-E19 PolarHBondContact OG1-OE1 3.05Å; T16-E19 PolarHBondContact OG1-OE2 2.95Å; G17-E19 WeakPolarHBondContact CA-OE2 3.48Å; G17-E19 PolarHBondContact N-OE2 3.4Å; E19-Q23 HydrophobicContact CB-CB 4.42Å; E19-Q23 VanDerWaalsContact CB-OE1 3.25Å; E19-I24 HydrophobicContact CB-CD1 4.24Å; E19-S53 CarbonylContact O-C 3.5Å; E19-S53 WeakPolarHBondContact O-CA 3.25Å; E19-L54 HydrophobicContact CB-CD1 4.13Å; E19-L54 WeakPolarHBondContact O-CG 3.39Å; E19-L54 PolarHBondContact O-N 3.18Å
20T96.3Very high94.3Very high47 Ų4755.7 Ų55.729%0.28832%0.317SS..BIsolated β-bridgetrans-85156171.763.80000110.8G22 Q23 I24 A52T20-G22 PolarHBondContact O-N 3.4Å; T20-Q23 WeakPolarHBondContact O-CB 3.44Å; T20-Q23 PolarHBondContact O-N 3.3Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.31Å; T20-Q23 PolarHBondContact OG1-N 3.2Å; T20-I24 PolarHBondContact O-N 3.08Å; T20-A52 WeakPolarHBondContact CA-O 3.47Å
21V95.9Very high94.2Very high0 Ų055 Ų550%031%0.309CS..Hα-helixtrans-56.3-36.5173.5174.10000110.8Q23 I24 K25 L41 L48 E49 A52V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.19Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-K25 WeakPolarHBondContact O-CG 3.4Å; V21-K25 PolarHBondContact O-N 3.17Å; V21-L41 HydrophobicContact CG1-CB 4.27Å; V21-L41 HydrophobicContact CG1-CD1 3.89Å; V21-L48 HydrophobicContact CB-CB 4.46Å; V21-L48 HydrophobicContact CG1-CB 3.8Å; V21-L48 HydrophobicContact CG2-CB 3.8Å; V21-L48 HydrophobicContact CG2-CD1 4.09Å; V21-E49 WeakPolarHBondContact CB-O 3.44Å; V21-E49 WeakPolarHBondContact CG2-O 3.31Å; V21-A52 WeakPolarHBondContact CG2-O 3.47Å; V21-A52 PolarHBondContact N-O 3.16Å
22G95.8Very high94.1Very high23 Ų2355.1 Ų55.124%0.23731%0.31CS..Hα-helixtrans-59.7-37.6174.100000113.9T20 K25 A26 N50T20-G22 PolarHBondContact O-N 3.4Å; G22-K25 PolarHBondContact O-N 3.09Å; G22-A26 PolarHBondContact O-N 3.34Å; G22-A26 VanDerWaalsContact O-N 3.1Å; G22-N50 PolarHBondContact N-O 2.76Å
23Q95.8Very high93.8Very high95 Ų9553.6 Ų53.644%0.44431%0.312SS..Hα-helixtrans-67.2-39.5174.6-70.2168.5-24.100111.3E19 T20 V21 K25 A26 H27E19-Q23 HydrophobicContact CB-CB 4.42Å; E19-Q23 VanDerWaalsContact CB-OE1 3.25Å; T20-Q23 WeakPolarHBondContact O-CB 3.44Å; T20-Q23 PolarHBondContact O-N 3.3Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.31Å; T20-Q23 PolarHBondContact OG1-N 3.2Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.19Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.78Å; Q23-A26 WeakPolarHBondContact O-CB 3.4Å; Q23-A26 PolarHBondContact O-N 3.21Å; Q23-H27 PolarHBondContact O-CD2 2.9Å; Q23-H27 PolarHBondContact O-N 3.09Å; Q23-H27 VanDerWaalsContact O-N 3.13Å
24I95.8Very high93.6Very high0 Ų055.2 Ų55.20%032%0.321CS..Hα-helixtrans-64.3-38.9174.6-55.8-47.3000111.4L5 L13 V15 E19 T20 V21 A26 H27 V28 L41 L54 L65L5-I24 HydrophobicContact CD1-CG2 4.38Å; L5-I24 HydrophobicContact CD2-CG2 3.91Å; L13-I24 HydrophobicContact CD2-CD1 3.64Å; V15-I24 HydrophobicContact CG1-CD1 3.96Å; E19-I24 HydrophobicContact CB-CD1 4.24Å; T20-I24 PolarHBondContact O-N 3.08Å; V21-I24 PolarHBondContact O-N 3.45Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.76Å; I24-H27 WeakPolarHBondContact O-CB 3.36Å; I24-H27 PolarHBondContact O-N 2.77Å; I24-H27 VanDerWaalsContact O-N 3.13Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.64Å; I24-L41 HydrophobicContact CB-CD1 3.85Å; I24-L41 HydrophobicContact CG2-CD1 3.66Å; I24-L54 HydrophobicContact CD1-CD1 4.01Å; I24-L54 HydrophobicContact CG1-CD1 3.99Å; I24-L54 HydrophobicContact CG1-CD2 3.96Å; I24-L54 HydrophobicContact CG1-CG 4.3Å; I24-L65 HydrophobicContact CG2-CD1 4.29Å
25K95.8Very high93.5Very high8 Ų853.7 Ų53.74%0.03532%0.316CS..Hα-helixtrans-61.1-36.9173.5-70-173.8179.5-175.20112.9V21 G22 Q23 H27 V28 Q29 V36 Q39 L41 N50V21-K25 WeakPolarHBondContact O-CG 3.4Å; V21-K25 PolarHBondContact O-N 3.17Å; G22-K25 PolarHBondContact O-N 3.09Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.78Å; K25-H27 VanDerWaalsContact C-N 3.34Å; K25-V28 PolarHBondContact O-N 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; K25-V36 HydrophobicContact CB-CB 4.44Å; K25-V36 HydrophobicContact CB-CG1 3.92Å; K25-V36 HydrophobicContact CB-CG2 4.06Å; K25-V36 HydrophobicContact CD-CG1 4.14Å; K25-Q39 HydrophobicContact CD-CB 4.18Å; K25-Q39 HydrophobicContact CG-CB 4.32Å; K25-Q39 PolarHBondContact NZ-O 2.84Å; K25-Q39 PolarHBondContact O-NE2 2.98Å; K25-Q39 PolarHBondContact O-OE1 2.87Å; K25-Q39 VanDerWaalsContact O-OE1 3.07Å; K25-L41 HydrophobicContact CG-CD1 3.52Å; K25-L41 HydrophobicContact CG-CG 3.81Å; K25-N50 WeakPolarHBondContact CD-OD1 3.4Å; K25-N50 VanDerWaalsContact CE-OD1 3.25Å; K25-N50 WeakPolarHBondContact CE-OD1 3.46Å; K25-N50 PolarHBondContact NZ-OD1 3.13Å
26A95.9Very high93.5Very high52 Ų5255.2 Ų55.243%0.4333%0.325SS..Hα-helixtrans-64.1-39.2174.200000111.9G22 Q23 I24 Q29 A30G22-A26 PolarHBondContact O-N 3.34Å; G22-A26 VanDerWaalsContact O-N 3.1Å; Q23-A26 WeakPolarHBondContact O-CB 3.4Å; Q23-A26 PolarHBondContact O-N 3.21Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.76Å; A26-Q29 PolarHBondContact O-N 2.92Å; A26-A30 PolarHBondContact O-N 2.81Å; A26-A30 VanDerWaalsContact O-N 3.1Å
27H94.8Very high93.5Very high89 Ų8958 Ų5841%0.41233%0.331SS..Hα-helixtrans-62.8-43.6172.4-74.3-70.9000112.3L13 Q23 I24 K25 Q29 A30 L31L13-H27 HydrophobicContact CD1-CB 4.09Å; Q23-H27 PolarHBondContact O-CD2 2.9Å; Q23-H27 PolarHBondContact O-N 3.09Å; Q23-H27 VanDerWaalsContact O-N 3.13Å; I24-H27 WeakPolarHBondContact O-CB 3.36Å; I24-H27 PolarHBondContact O-N 2.77Å; I24-H27 VanDerWaalsContact O-N 3.13Å; K25-H27 VanDerWaalsContact C-N 3.34Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 2.83Å; H27-A30 PolarHBondContact O-N 2.82Å; H27-A30 VanDerWaalsContact O-N 3.17Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 2.87Å
28V95.1Very high93.9Very high3 Ų360.1 Ų60.12%0.01834%0.341CS..Hα-helixtrans-60.1-41.1174.7170.40000111.3L5 I24 K25 A30 L31 E32 Q39 L41 V67L5-V28 HydrophobicContact CD1-CG2 3.83Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.64Å; K25-V28 PolarHBondContact O-N 3.38Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-E32 PolarHBondContact O-N 2.82Å; V28-Q39 HydrophobicContact CG1-CG 4.25Å; V28-L41 HydrophobicContact CG2-CD2 4.27Å; V28-V67 HydrophobicContact CG1-CG1 3.63Å; V28-V67 HydrophobicContact CG1-CG2 4.18Å; V28-V67 HydrophobicContact CG2-CG2 3.91Å
29Q95.6Very high94.1Very high79 Ų7953.3 Ų53.337%0.36931%0.309SS..Hα-helixtrans-61.1-40.5176-179.4173.9-48.600111.6K25 A26 H27 G33 L34 V36K25-Q29 PolarHBondContact O-N 2.96Å; A26-Q29 PolarHBondContact O-N 2.92Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 2.83Å; Q29-G33 WeakPolarHBondContact O-CA 3.25Å; Q29-G33 PolarHBondContact O-N 3.26Å; Q29-L34 VanDerWaalsContact CA-O 3.28Å; Q29-L34 WeakPolarHBondContact CA-O 3.42Å; Q29-L34 VanDerWaalsContact CB-O 3.24Å; Q29-L34 WeakPolarHBondContact CB-O 3.4Å; Q29-L34 WeakPolarHBondContact CG-O 3.39Å; Q29-V36 HydrophobicContact CB-CG2 4.29Å
30A94.7Very high94.1Very high87 Ų8753 Ų5372%0.71931%0.31SS*.Hα-helixtrans-68.4-33.8178.100000113.1A26 H27 V28A26-A30 PolarHBondContact O-N 2.81Å; A26-A30 VanDerWaalsContact O-N 3.1Å; H27-A30 PolarHBondContact O-N 2.82Å; H27-A30 VanDerWaalsContact O-N 3.17Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 2.94Å
31L93.8Very high94.1Very high87 Ų8750.9 Ų50.946%0.45530%0.296SS..Hα-helixtrans-85.3-42.7-177.1-67.9170.3000113.3H11 H27 V28H11-L31 HydrophobicContact CB-CD1 4.04Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 2.87Å; V28-L31 PolarHBondContact O-N 3.19Å
32E93Very high94.1Very high44 Ų4452.1 Ų52.121%0.20630%0.303CS..Hα-helixtrans-111.5-9.4-172.3-60.1-164.2149.500113.6G7 Q8 N9 H11 V28 L34G7-E32 WeakPolarHBondContact CA-OE1 3.45Å; Q8-E32 PolarHBondContact N-OE1 3.4Å; N9-E32 PolarHBondContact N-OE1 3.3Å; N9-E32 VanDerWaalsContact N-OE1 3.09Å; H11-E32 IonicContact CD2-OE1 3.86Å; H11-E32 IonicContact NE2-OE1 3.72Å; V28-E32 PolarHBondContact O-N 2.82Å; E32-L34 PolarHBondContact O-N 3.27Å
33G91.6Very high94.1Very high60 Ų6052.7 Ų52.762%0.61930%0.3SS*.  trans74.36-18000000115.1Q29Q29-G33 WeakPolarHBondContact O-CA 3.25Å; Q29-G33 PolarHBondContact O-N 3.26Å
34L90.6Very high94Very high51 Ų5152.8 Ų52.827%0.26732%0.318SS..  trans-78.1127.8177.1-171.360.5000109.8Q29 E32 D38 Q39 V67Q29-L34 VanDerWaalsContact CA-O 3.28Å; Q29-L34 WeakPolarHBondContact CA-O 3.42Å; Q29-L34 VanDerWaalsContact CB-O 3.24Å; Q29-L34 WeakPolarHBondContact CB-O 3.4Å; Q29-L34 WeakPolarHBondContact CG-O 3.39Å; E32-L34 PolarHBondContact O-N 3.27Å; L34-D38 HydrophobicContact CD1-CB 4.04Å; L34-D38 HydrophobicContact CG-CB 4.44Å; L34-Q39 HydrophobicContact CB-CG 4.17Å; L34-Q39 HydrophobicContact CD2-CG 3.68Å; L34-Q39 HydrophobicContact CG-CG 3.74Å; L34-Q39 PolarHBondContact O-NE2 2.83Å; L34-V67 HydrophobicContact CD2-CG1 4.41Å
35L92.3Very high93.9Very high100 Ų10055 Ų5552%0.52434%0.34SS..  trans-62.9139.8180-66175.6000111.2E37 D38 Q39L35-E37 PolarHBondContact O-N 2.95Å; L35-E37 VanDerWaalsContact O-N 3.09Å; L35-D38 PolarHBondContact O-N 3.25Å; L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.21Å
36V93.3Very high93.8Very high42 Ų4258.5 Ų58.526%0.25537%0.365SS..G310 helixtrans-50.8-37.5-179.6169.20000113K25 Q29 D38 Q39K25-V36 HydrophobicContact CB-CB 4.44Å; K25-V36 HydrophobicContact CB-CG1 3.92Å; K25-V36 HydrophobicContact CB-CG2 4.06Å; K25-V36 HydrophobicContact CD-CG1 4.14Å; Q29-V36 HydrophobicContact CB-CG2 4.29Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.01Å; V36-Q39 PolarHBondContact O-N 3.41Å
37E90.8Very high93.7Very high168 Ų16860.1 Ų60.179%0.78537%0.371SS*.G310 helixtrans-66.1-32.9-179.7-59.9-173178.200112.8L35 Q39 R70L35-E37 PolarHBondContact O-N 2.95Å; L35-E37 VanDerWaalsContact O-N 3.09Å; E37-Q39 VanDerWaalsContact C-N 3.31Å; E37-R70 VanDerWaalsContact O-CD 3.31Å; E37-R70 WeakPolarHBondContact O-CD 3.16Å; E37-R70 PolarHBondContact O-NE 2.93Å
38D91.6Very high93.8Very high49 Ų4956.9 Ų56.926%0.26236%0.357SS..G310 helixtrans-85.7-4.3179.4-67.2-33.6000112.5L34 L35 V36 G69 R70L34-D38 HydrophobicContact CD1-CB 4.04Å; L34-D38 HydrophobicContact CG-CB 4.44Å; L35-D38 PolarHBondContact O-N 3.25Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.01Å; D38-G69 CarbonylContact O-C 3.46Å; D38-G69 VanDerWaalsContact O-CA 3.3Å; D38-G69 WeakPolarHBondContact O-CA 3.24Å; D38-R70 PolarHBondContact O-N 3.32Å
39Q93.6Very high93.7Very high0 Ų063.8 Ų63.80%039%0.388CS..EExtended strand (participates in β ladder)trans-91.9137.7-179.8-65.9172.83200113.2K25 V28 L34 L35 V36 E37K25-Q39 HydrophobicContact CD-CB 4.18Å; K25-Q39 HydrophobicContact CG-CB 4.32Å; K25-Q39 PolarHBondContact NZ-O 2.84Å; K25-Q39 PolarHBondContact O-NE2 2.98Å; K25-Q39 PolarHBondContact O-OE1 2.87Å; K25-Q39 VanDerWaalsContact O-OE1 3.07Å; V28-Q39 HydrophobicContact CG1-CG 4.25Å; L34-Q39 HydrophobicContact CB-CG 4.17Å; L34-Q39 HydrophobicContact CD2-CG 3.68Å; L34-Q39 HydrophobicContact CG-CG 3.74Å; L34-Q39 PolarHBondContact O-NE2 2.83Å; L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.21Å; V36-Q39 PolarHBondContact O-N 3.41Å; E37-Q39 VanDerWaalsContact C-N 3.31Å
40V94.8Very high93.7Very high30 Ų3063.1 Ų63.118%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-121.8114.3165.3-171.90000107.7L42 P47 A68 R70V40-L42 HydrophobicContact CG1-CD2 4.41Å; V40-L42 HydrophobicContact CG1-CG 4.19Å; V40-P47 HydrophobicContact CG1-CB 3.77Å; V40-A68 HydrophobicContact CB-CB 4.42Å; V40-A68 PolarHBondContact N-O 2.77Å; V40-A68 PolarHBondContact O-N 2.89Å; V40-R70 HydrophobicContact CG2-CG 3.66Å
41L95.7Very high93.6Very high1 Ų166.4 Ų66.41%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-88.6132171.8-68.1-179.4000108.7V21 I24 K25 V28 P47 L48 E66 V67V21-L41 HydrophobicContact CG1-CB 4.27Å; V21-L41 HydrophobicContact CG1-CD1 3.89Å; I24-L41 HydrophobicContact CB-CD1 3.85Å; I24-L41 HydrophobicContact CG2-CD1 3.66Å; K25-L41 HydrophobicContact CG-CD1 3.52Å; K25-L41 HydrophobicContact CG-CG 3.81Å; V28-L41 HydrophobicContact CG2-CD2 4.27Å; L41-P47 WeakPolarHBondContact O-CA 3.45Å; L41-L48 PolarHBondContact O-N 3.41Å; L41-E66 CarbonylContact C-O 3.58Å; L41-E66 WeakPolarHBondContact CA-O 3.35Å; L41-V67 HydrophobicContact CD2-CB 4.31Å; L41-V67 HydrophobicContact CD2-CG1 4.4Å; L41-V67 HydrophobicContact CD2-CG2 3.69Å
42L96.6Very high93.6Very high26 Ų2663.5 Ų63.514%0.13638%0.382CS..EExtended strand (participates in β ladder)trans-122.6139.4-179.1-55123.2000110.6V40 G45 C46 P47 L65 E66 A68V40-L42 HydrophobicContact CG1-CD2 4.41Å; V40-L42 HydrophobicContact CG1-CG 4.19Å; L42-G45 WeakPolarHBondContact CD2-O 3.41Å; L42-C46 VanDerWaalsContact CA-O 3.26Å; L42-C46 WeakPolarHBondContact CA-O 3.18Å; L42-P47 HydrophobicContact CD2-CB 4.17Å; L42-L65 WeakPolarHBondContact O-CA 3.39Å; L42-E66 HydrophobicContact CB-CB 4.25Å; L42-E66 HydrophobicContact CD1-CB 4.28Å; L42-E66 PolarHBondContact N-O 2.74Å; L42-E66 PolarHBondContact O-N 3.35Å; L42-A68 HydrophobicContact CD1-CB 3.69Å
43L95.8Very high93.7Very high35 Ų3562.6 Ų62.618%0.18338%0.38CS..EExtended strand (participates in β ladder)trans-113.9119.8164.9-178.467.4000107.9G45 C46 L48 C57 V59 C63 L65L43-G45 PolarHBondContact O-N 3.47Å; L43-C46 PolarHBondContact N-O 2.93Å; L43-C46 WeakPolarHBondContact O-CB 3.35Å; L43-C46 PolarHBondContact O-N 3.1Å; L43-L48 HydrophobicContact CB-CD1 4.26Å; L43-L48 HydrophobicContact CB-CD2 4.15Å; L43-L48 HydrophobicContact CB-CG 4.42Å; L43-C57 VanDerWaalsContact CD2-O 3.29Å; L43-C57 WeakPolarHBondContact CD2-O 3.4Å; L43-V59 HydrophobicContact CD2-CG2 4.02Å; L43-C63 HydrophobicContact CD1-CB 4.48Å; L43-L65 HydrophobicContact CB-CD2 4.03Å; L43-L65 HydrophobicContact CD1-CD2 3.93Å
44A93.3Very high93.8Very high98 Ų9859.8 Ų59.881%0.8135%0.351SS*.THydrogen-bonded Turntrans51.737.8-177.100000113.8C46A44-C46 VanDerWaalsContact C-N 3.26Å; A44-C46 PolarHBondContact O-N 2.96Å
45G92.7Very high93.8Very high46 Ų4660 Ų6047%0.47436%0.36SS..THydrogen-bonded Turntrans79.4-2.5-17800000115.3L42 L43L42-G45 WeakPolarHBondContact CD2-O 3.41Å; L43-G45 PolarHBondContact O-N 3.47Å
46C93.9Very high93.8Very high81 Ų8160.3 Ų60.355%0.54737%0.366SS..EExtended strand (participates in β ladder)trans-93.3123.5176.1-68.20000110.7L42 L43 A44L42-C46 VanDerWaalsContact CA-O 3.26Å; L42-C46 WeakPolarHBondContact CA-O 3.18Å; L43-C46 PolarHBondContact N-O 2.93Å; L43-C46 WeakPolarHBondContact O-CB 3.35Å; L43-C46 PolarHBondContact O-N 3.1Å; A44-C46 VanDerWaalsContact C-N 3.26Å; A44-C46 PolarHBondContact O-N 2.96Å
47P95.4Very high93.7Very high86 Ų8659.7 Ų59.756%0.55836%0.363SS*.EExtended strand (participates in β ladder)trans-69.3139-179.628.6-34.1000110.9V40 L41 L42V40-P47 HydrophobicContact CG1-CB 3.77Å; L41-P47 WeakPolarHBondContact O-CA 3.45Å; L42-P47 HydrophobicContact CD2-CB 4.17Å
48L95.3Very high93.8Very high22 Ų2253.9 Ų53.912%0.11535%0.349CS..PPolyproline II helixtrans-97.5138.5179.5-57.6-176.2000111.3V21 L41 L43 C57 V59 L65V21-L48 HydrophobicContact CB-CB 4.46Å; V21-L48 HydrophobicContact CG1-CB 3.8Å; V21-L48 HydrophobicContact CG2-CB 3.8Å; V21-L48 HydrophobicContact CG2-CD1 4.09Å; L41-L48 PolarHBondContact O-N 3.41Å; L43-L48 HydrophobicContact CB-CD1 4.26Å; L43-L48 HydrophobicContact CB-CD2 4.15Å; L43-L48 HydrophobicContact CB-CG 4.42Å; L48-C57 HydrophobicContact CD1-CB 4.27Å; L48-C57 HydrophobicContact CD2-CB 3.88Å; L48-V59 HydrophobicContact CD1-CG2 4.44Å; L48-L65 HydrophobicContact CD1-CD2 3.97Å
49E94.6Very high93.9Very high147 Ų14752 Ų5269%0.68734%0.339SS*.PPolyproline II helixtrans-79.6143.2177.5-68.1-63.1164.500111.6V21 D51 A52V21-E49 WeakPolarHBondContact CB-O 3.44Å; V21-E49 WeakPolarHBondContact CG2-O 3.31Å; E49-D51 VanDerWaalsContact C-N 3.3Å; E49-D51 PolarHBondContact O-N 3.18Å; E49-A52 HydrophobicContact CB-CB 4.47Å; E49-A52 PolarHBondContact O-N 3.13Å
50N93.6Very high93.9Very high66 Ų6656.1 Ų56.135%0.35336%0.364SS..THydrogen-bonded Turntrans-60-37.5-172.9-72.7-16.9000113.8G22 K25 A52G22-N50 PolarHBondContact N-O 2.76Å; K25-N50 WeakPolarHBondContact CD-OD1 3.4Å; K25-N50 VanDerWaalsContact CE-OD1 3.25Å; K25-N50 WeakPolarHBondContact CE-OD1 3.46Å; K25-N50 PolarHBondContact NZ-OD1 3.13Å; N50-A52 VanDerWaalsContact C-N 3.34Å
51D94.1Very high93.8Very high155 Ų15560.2 Ų60.283%0.82938%0.382SS*.THydrogen-bonded Turntrans-85.8-8.8-173.4-59.8-33.7000113E49E49-D51 VanDerWaalsContact C-N 3.3Å; E49-D51 PolarHBondContact O-N 3.18Å
52A94.3Very high93.8Very high27 Ų2765.3 Ų65.322%0.22341%0.405CS..SBendtrans-76.7140.717900000111T20 V21 E49 N50 C57T20-A52 WeakPolarHBondContact CA-O 3.47Å; V21-A52 WeakPolarHBondContact CG2-O 3.47Å; V21-A52 PolarHBondContact N-O 3.16Å; E49-A52 HydrophobicContact CB-CB 4.47Å; E49-A52 PolarHBondContact O-N 3.13Å; N50-A52 VanDerWaalsContact C-N 3.34Å; A52-C57 WeakPolarHBondContact CB-SG 3.41Å
53S94.4Very high93.7Very high25 Ų2565.2 Ų65.218%0.17541%0.407CS..BIsolated β-bridgetrans-75.6152.4170.973.20000110.8E19 A55 T56 C57E19-S53 CarbonylContact O-C 3.5Å; E19-S53 WeakPolarHBondContact O-CA 3.25Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.38Å; S53-T56 PolarHBondContact N-OG1 3.31Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 PolarHBondContact O-N 2.84Å; S53-T56 VanDerWaalsContact O-N 3.16Å; S53-T56 PolarHBondContact O-OG1 3.18Å; S53-T56 WeakPolarHBondContact OG-CB 3.45Å; S53-T56 VanDerWaalsContact OG-CG2 3.31Å; S53-T56 WeakPolarHBondContact OG-CG2 3.41Å; S53-T56 PolarHBondContact OG-N 3.25Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; S53-C57 PolarHBondContact O-N 3.07Å; S53-C57 VanDerWaalsContact O-N 3.08Å; S53-C57 PolarHBondContact O-SG 2.96Å
54L93.4Very high93.8Very high1 Ų166.8 Ų66.81%0.00542%0.417CS..THydrogen-bonded Turntrans-57.1-42.1176.5-68.1177.2000112.2M1 L3 V15 E19 I24 T56 C57 G58 V59 L65M1-L54 HydrophobicContact CE-CB 4.39Å; M1-L54 HydrophobicContact CE-CD1 4.15Å; L3-L54 HydrophobicContact CD1-CD1 4.01Å; V15-L54 HydrophobicContact CB-CD1 4.42Å; V15-L54 HydrophobicContact CG2-CD1 3.96Å; E19-L54 HydrophobicContact CB-CD1 4.13Å; E19-L54 WeakPolarHBondContact O-CG 3.39Å; E19-L54 PolarHBondContact O-N 3.18Å; I24-L54 HydrophobicContact CD1-CD1 4.01Å; I24-L54 HydrophobicContact CG1-CD1 3.99Å; I24-L54 HydrophobicContact CG1-CD2 3.96Å; I24-L54 HydrophobicContact CG1-CG 4.3Å; L54-T56 PolarHBondContact O-N 2.97Å; L54-C57 PolarHBondContact O-N 2.74Å; L54-G58 PolarHBondContact O-N 3.31Å; L54-V59 HydrophobicContact CB-CB 4.09Å; L54-V59 HydrophobicContact CB-CG2 4.43Å; L54-V59 HydrophobicContact CD2-CB 4.35Å; L54-V59 HydrophobicContact CD2-CG1 4.42Å; L54-V59 HydrophobicContact CD2-CG2 4.01Å; L54-V59 WeakPolarHBondContact O-CB 3.4Å; L54-V59 PolarHBondContact O-N 3.43Å; L54-L65 HydrophobicContact CD2-CD1 4.39Å
55A91.2Very high93.9Very high55 Ų5562.1 Ų62.146%0.45538%0.379SS..THydrogen-bonded Turntrans-58.6-45.217600000112.6G17 S53 C57 G58G17-A55 PolarHBondContact O-N 3.09Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.38Å; A55-C57 VanDerWaalsContact C-N 3.28Å; A55-C57 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 2.78Å; A55-G58 VanDerWaalsContact O-N 3.16Å
56T92.6Very high94.1Very high106 Ų10664 Ų6465%0.6538%0.375SS*.THydrogen-bonded Turntrans-69-26.1178.7490000113.4S53 L54 G58S53-T56 PolarHBondContact N-OG1 3.31Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 PolarHBondContact O-N 2.84Å; S53-T56 VanDerWaalsContact O-N 3.16Å; S53-T56 PolarHBondContact O-OG1 3.18Å; S53-T56 WeakPolarHBondContact OG-CB 3.45Å; S53-T56 VanDerWaalsContact OG-CG2 3.31Å; S53-T56 WeakPolarHBondContact OG-CG2 3.41Å; S53-T56 PolarHBondContact OG-N 3.25Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; L54-T56 PolarHBondContact O-N 2.97Å; T56-G58 PolarHBondContact O-N 2.9Å
57C91Very high94.2Very high29 Ų2961 Ų6120%0.19636%0.355CS..THydrogen-bonded Turntrans-78.6-2.2175.4-67.60000113.2L43 L48 A52 S53 L54 A55 V59L43-C57 VanDerWaalsContact CD2-O 3.29Å; L43-C57 WeakPolarHBondContact CD2-O 3.4Å; L48-C57 HydrophobicContact CD1-CB 4.27Å; L48-C57 HydrophobicContact CD2-CB 3.88Å; A52-C57 WeakPolarHBondContact CB-SG 3.41Å; S53-C57 PolarHBondContact O-N 3.07Å; S53-C57 VanDerWaalsContact O-N 3.08Å; S53-C57 PolarHBondContact O-SG 2.96Å; L54-C57 PolarHBondContact O-N 2.74Å; A55-C57 VanDerWaalsContact C-N 3.28Å; A55-C57 PolarHBondContact O-N 2.88Å; C57-V59 VanDerWaalsContact C-N 3.31Å; C57-V59 HydrophobicContact CB-CG2 4.01Å
58G91.5Very high94.1Very high47 Ų4758.7 Ų58.749%0.48534%0.343SS..THydrogen-bonded Turntrans74.121.4-176.400000113.5L54 A55 T56L54-G58 PolarHBondContact O-N 3.31Å; A55-G58 PolarHBondContact O-N 2.78Å; A55-G58 VanDerWaalsContact O-N 3.16Å; T56-G58 PolarHBondContact O-N 2.9Å
59V93.9Very high93.8Very high8 Ų859.9 Ų59.95%0.04836%0.361CS..  trans-76.9125175.1-1760000108.5M1 L3 L43 L48 L54 C57 C63 L65M1-V59 HydrophobicContact CE-CB 4.49Å; M1-V59 HydrophobicContact CE-CG1 3.84Å; L3-V59 HydrophobicContact CD1-CG1 3.86Å; L3-V59 HydrophobicContact CD2-CG1 3.53Å; L3-V59 HydrophobicContact CG-CG1 4.36Å; L43-V59 HydrophobicContact CD2-CG2 4.02Å; L48-V59 HydrophobicContact CD1-CG2 4.44Å; L54-V59 HydrophobicContact CB-CB 4.09Å; L54-V59 HydrophobicContact CB-CG2 4.43Å; L54-V59 HydrophobicContact CD2-CB 4.35Å; L54-V59 HydrophobicContact CD2-CG1 4.42Å; L54-V59 HydrophobicContact CD2-CG2 4.01Å; L54-V59 WeakPolarHBondContact O-CB 3.4Å; L54-V59 PolarHBondContact O-N 3.43Å; C57-V59 VanDerWaalsContact C-N 3.31Å; C57-V59 HydrophobicContact CB-CG2 4.01Å; V59-C63 HydrophobicContact CG1-CB 4.01Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å
60T93.4Very high93.3Very high87 Ų8760 Ų6053%0.53436%0.355SS..  trans-120174.5-179.261.30000110.9L3 H62 C63L3-T60 VanDerWaalsContact CD2-O 3.26Å; L3-T60 WeakPolarHBondContact CD2-O 3.28Å; T60-H62 PolarHBondContact O-N 2.96Å; T60-C63 PolarHBondContact N-SG 3.1Å; T60-C63 VanDerWaalsContact O-CB 3.23Å; T60-C63 WeakPolarHBondContact O-CB 3.3Å; T60-C63 PolarHBondContact O-N 3.03Å; T60-C63 VanDerWaalsContact O-N 3.13Å; T60-C63 PolarHBondContact O-SG 3.35Å; T60-C63 PolarHBondContact OG1-SG 3.24Å
61E94.3Very high92.3Very high117 Ų11765 Ų6555%0.54738%0.381SS..THydrogen-bonded Turntrans-58.2138.6177-172.5165.1-134.800111.6M1 C63M1-E61 HydrophobicContact CB-CB 4.24Å; M1-E61 HydrophobicContact CB-CG 4.34Å; E61-C63 PolarHBondContact O-N 3.39Å
62H94.9Very high91Very high108 Ų10865 Ų6550%0.538%0.38SS..THydrogen-bonded Turntrans62.814.7-174.5-52.4-55000115.3Q2 F4 T60Q2-H62 WeakPolarHBondContact O-CA 3.37Å; Q2-H62 PolarHBondContact O-N 3.3Å; F4-H62 HydrophobicContact CE2-CB 4.06Å; T60-H62 PolarHBondContact O-N 2.96Å
63C95.1Very high89.5Confident24 Ų2467.2 Ų67.216%0.16241%0.405CS..  trans-65147.6170.2-82.70000112L3 F4 L43 V59 T60 E61L3-C63 HydrophobicContact CD2-CB 3.89Å; F4-C63 PolarHBondContact N-O 3.17Å; L43-C63 HydrophobicContact CD1-CB 4.48Å; V59-C63 HydrophobicContact CG1-CB 4.01Å; T60-C63 PolarHBondContact N-SG 3.1Å; T60-C63 VanDerWaalsContact O-CB 3.23Å; T60-C63 WeakPolarHBondContact O-CB 3.3Å; T60-C63 PolarHBondContact O-N 3.03Å; T60-C63 VanDerWaalsContact O-N 3.13Å; T60-C63 PolarHBondContact O-SG 3.35Å; T60-C63 PolarHBondContact OG1-SG 3.24Å; E61-C63 PolarHBondContact O-N 3.39Å
64T96.6Very high88.1Confident67 Ų6769.3 Ų69.341%0.41143%0.43SS..EExtended strand (participates in β ladder)trans-104.6123.6171.3-54.40000109.9F4 R6F4-T64 HydrophobicContact CB-CG2 4.15Å; F4-T64 CarbonylContact O-C 3.57Å; F4-T64 VanDerWaalsContact O-CA 3.25Å; F4-T64 WeakPolarHBondContact O-CA 3.31Å; R6-T64 HydrophobicContact CB-CG2 3.91Å
65L96.4Very high86.6Confident1 Ų178.4 Ų78.41%0.00547%0.47CS..EExtended strand (participates in β ladder)trans-99.2132.1170.2-60.7176.1000109.1L3 F4 L5 R6 I24 L42 L43 L48 L54 V59L3-L65 HydrophobicContact CD1-CD1 4.43Å; F4-L65 PolarHBondContact O-N 3.4Å; L5-L65 HydrophobicContact CD2-CB 3.89Å; L5-L65 HydrophobicContact CD2-CD1 3.97Å; L5-L65 HydrophobicContact CD2-CG 4.38Å; R6-L65 PolarHBondContact N-O 3.31Å; I24-L65 HydrophobicContact CG2-CD1 4.29Å; L42-L65 WeakPolarHBondContact O-CA 3.39Å; L43-L65 HydrophobicContact CB-CD2 4.03Å; L43-L65 HydrophobicContact CD1-CD2 3.93Å; L48-L65 HydrophobicContact CD1-CD2 3.97Å; L54-L65 HydrophobicContact CD2-CD1 4.39Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å
66E96.9Very high85.4Confident84 Ų8482.2 Ų82.239%0.39349%0.487SS..EExtended strand (participates in β ladder)trans-90.2132174.9-62.2-179.8162.700109.7R6 L41 L42R6-E66 WeakPolarHBondContact O-CA 3.35Å; L41-E66 CarbonylContact C-O 3.58Å; L41-E66 WeakPolarHBondContact CA-O 3.35Å; L42-E66 HydrophobicContact CB-CB 4.25Å; L42-E66 HydrophobicContact CD1-CB 4.28Å; L42-E66 PolarHBondContact N-O 2.74Å; L42-E66 PolarHBondContact O-N 3.35Å
67V95.8Very high83.8Confident19 Ų1986.1 Ų86.112%0.11550%0.497CS..EExtended strand (participates in β ladder)trans-100.4115.3174.6-173.10000107.9R6 V28 L34 L41R6-V67 PolarHBondContact O-N 3.16Å; V28-V67 HydrophobicContact CG1-CG1 3.63Å; V28-V67 HydrophobicContact CG1-CG2 4.18Å; V28-V67 HydrophobicContact CG2-CG2 3.91Å; L34-V67 HydrophobicContact CD2-CG1 4.41Å; L41-V67 HydrophobicContact CD2-CB 4.31Å; L41-V67 HydrophobicContact CD2-CG1 4.4Å; L41-V67 HydrophobicContact CD2-CG2 3.69Å
68A93.2Very high82.8Confident38 Ų3887.9 Ų87.931%0.31452%0.521SS..EExtended strand (participates in β ladder)trans-113.8142.6172.900000110.8V40 L42V40-A68 HydrophobicContact CB-CB 4.42Å; V40-A68 PolarHBondContact N-O 2.77Å; V40-A68 PolarHBondContact O-N 2.89Å; L42-A68 HydrophobicContact CD1-CB 3.69Å
69G89.8Confident81.9Confident47 Ų4790.3 Ų90.349%0.48553%0.53SS..EExtended strand (participates in β ladder)trans-82.2140.3169.900000111.7D38 L71D38-G69 CarbonylContact O-C 3.46Å; D38-G69 VanDerWaalsContact O-CA 3.3Å; D38-G69 WeakPolarHBondContact O-CA 3.24Å; G69-L71 PolarHBondContact O-N 3.09Å
70R83.4Confident81.4Confident150 Ų15097.3 Ų97.357%0.56657%0.566SS**  trans-67.3124.6167-67.7-174.7-178.6-109.4-2.2108.8E37 D38 V40 L72E37-R70 VanDerWaalsContact O-CD 3.31Å; E37-R70 WeakPolarHBondContact O-CD 3.16Å; E37-R70 PolarHBondContact O-NE 2.93Å; D38-R70 PolarHBondContact O-N 3.32Å; V40-R70 HydrophobicContact CG2-CG 3.66Å; R70-L72 PolarHBondContact O-N 3.44Å
71L72.5Confident80.8Confident171 Ų17197.4 Ų97.490%0.89558%0.576SS**  trans-81.8105.6172-67.9174.4000109.4G69 G73G69-L71 PolarHBondContact O-N 3.09Å; L71-G73 PolarHBondContact O-N 2.93Å
72L66.2Low80.4Confident155 Ų155101.4 Ų101.481%0.81259%0.586SS**  trans-77.9107.9167.9-67.4175.3000109.5R70R70-L72 PolarHBondContact O-N 3.44Å
73G63.8Low80.2Confident73 Ų73100.1 Ų100.175%0.75359%0.594SS**  trans98.298.3165.500000115.5L71L71-G73 PolarHBondContact O-N 2.93Å
74G64.3Low80.1Confident68 Ų68101.6 Ų101.670%0.70161%0.613SS**  trans-77.5140.1156.800000110.3V76G74-V76 PolarHBondContact O-N 3.33Å
75K62.2Low80Confident193 Ų193104 Ų10484%0.83962%0.618SS**  trans-59.1105.8174.3-162.7176.5-171.4174.50109H77K75-H77 PolarHBondContact O-N 3.04Å
76V66.4Low79.9Confident134 Ų134109.1 Ų109.181%0.81265%0.648SS**  trans-59.4113.5175.91780000108.2G74 G78G74-V76 PolarHBondContact O-N 3.33Å; V76-G78 PolarHBondContact O-N 2.95Å
77H58.5Low79.7Confident189 Ų189115.6 Ų115.688%0.87567%0.669SS**SBendtrans-77.3114-178.9-118.9-87.7000109.6K75K75-H77 PolarHBondContact O-N 3.04Å
78G69.4Low79.5Confident66 Ų66118 Ų11868%0.6870%0.698SS**  trans135.470-179.300000112.5V76V76-G78 PolarHBondContact O-N 2.95Å
79S73.6Confident79.7Confident97 Ų97122.8 Ų122.868%0.67871%0.714SS**  trans-69.2145.8179.366.90000111.9A81S79-A81 PolarHBondContact O-N 3.12Å; S79-A81 VanDerWaalsContact O-N 3.12Å
80L81.8Confident79.9Confident156 Ų156124.4 Ų124.482%0.81771%0.714SS**G310 helixtrans-74.49.2173.5-65.4175.1000113.3R82 A83L80-R82 PolarHBondContact O-N 3.46Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.3Å; L80-A83 PolarHBondContact O-N 2.99Å
81A82.2Confident80.5Confident88 Ų88122.6 Ų122.673%0.72772%0.722SS**G310 helixtrans-60-17.7-173.100000114.5S79S79-A81 PolarHBondContact O-N 3.12Å; S79-A81 VanDerWaalsContact O-N 3.12Å
82R86Confident81.5Confident202 Ų202123.5 Ų123.576%0.76272%0.719SS**G310 helixtrans-104.12.8179.6-62.8-173.1-68.8-167.5-0.7113.8L80 G84 K85L80-R82 PolarHBondContact O-N 3.46Å; R82-G84 PolarHBondContact O-N 2.97Å; R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 3.2Å
83A90.6Very high82.9Confident81 Ų81121.9 Ų121.967%0.66972%0.715SS**THydrogen-bonded Turntrans-60.1124.8179.200000110.5L80 K85L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.3Å; L80-A83 PolarHBondContact O-N 2.99Å; A83-K85 VanDerWaalsContact C-N 3.28Å; A83-K85 PolarHBondContact O-N 3.28Å
84G92.1Very high84.3Confident54 Ų54125 Ų12556%0.55772%0.715SS**THydrogen-bonded Turntrans77.2-0.9177.600000116.3R82 V86 R87 G88R82-G84 PolarHBondContact O-N 2.97Å; G84-V86 PolarHBondContact O-N 3.26Å; G84-R87 PolarHBondContact O-N 3.16Å; G84-R87 VanDerWaalsContact O-N 3.13Å; G84-G88 PolarHBondContact O-N 3.09Å
85K95.1Very high85.7Confident118 Ų118131.6 Ų131.651%0.51372%0.724SS.*Hα-helixtrans-51.6-50.2-177.7-178.2176.4179177.50112.7R82 A83 G88 Q89R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 3.2Å; A83-K85 VanDerWaalsContact C-N 3.28Å; A83-K85 PolarHBondContact O-N 3.28Å; K85-G88 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact CE-NE2 3.32Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact O-N 3.08Å
86V94.4Very high87.2Confident108 Ų108129.8 Ų129.866%0.65572%0.719SS**Hα-helixtrans-65.6-43.4-178.7179.40000111.1G84 G88 Q89 T90G84-V86 PolarHBondContact O-N 3.26Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.26Å; V86-Q89 PolarHBondContact O-N 2.8Å; V86-T90 HydrophobicContact CG1-CG2 4.2Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.28Å; V86-T90 PolarHBondContact O-OG1 3.15Å
87R92.3Very high88.4Confident221 Ų221132.9 Ų132.983%0.83472%0.724SS**Hα-helixtrans-61.5-35.4179.7-178-178.9173.6-163.9-2.3112.4G84 T90G84-R87 PolarHBondContact O-N 3.16Å; G84-R87 VanDerWaalsContact O-N 3.13Å; R87-T90 PolarHBondContact O-OG1 3.02Å
88G92.5Very high90Very high70 Ų70131.8 Ų131.872%0.72272%0.717SS**Hα-helixtrans-78.5-30.8177.500000113.9G84 K85 V86G84-G88 PolarHBondContact O-N 3.09Å; K85-G88 PolarHBondContact O-N 3.28Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.26Å
89Q95.9Very high91.2Very high138 Ų138138.4 Ų138.465%0.64573%0.727SS**Hα-helixtrans-81.1-28.7-180-73.3-178.4-1800113.4K85 V86K85-Q89 VanDerWaalsContact CE-NE2 3.32Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact O-N 3.08Å; V86-Q89 PolarHBondContact O-N 2.8Å
90T94.4Very high92.1Very high80 Ų80143.2 Ų143.249%0.49174%0.736SS.*SBendtrans-65.9128.7-179.8480000111.1V86 R87 K92V86-T90 HydrophobicContact CG1-CG2 4.2Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.28Å; V86-T90 PolarHBondContact O-OG1 3.15Å; R87-T90 PolarHBondContact O-OG1 3.02Å; T90-K92 PolarHBondContact O-N 3.23Å
91P95.6Very high92.7Very high113 Ų113144.5 Ų144.573%0.73474%0.735SS**  trans-61137.9178.525.7-34.1000110.3V93P91-V93 PolarHBondContact O-N 3.32Å
92K94.4Very high93.3Very high189 Ų189147.1 Ų147.182%0.82273%0.73SS**  trans-81.492.7-179.9-166.170.3-178.8-178.90109.8T90 D94T90-K92 PolarHBondContact O-N 3.23Å; K92-D94 PolarHBondContact O-N 3.08Å
93V94.9Very high93.8Very high122 Ų122142.9 Ų142.974%0.73973%0.727SS**  trans-74.7119.6175.1-176.80000109.6P91P91-V93 PolarHBondContact O-N 3.32Å
94D93.4Very high94.1Very high137 Ų137141.6 Ų141.673%0.73372%0.721SS**  trans-66.9148.1176.2-73.6-36.5000112.2K92 Q96K92-D94 PolarHBondContact O-N 3.08Å; D94-Q96 PolarHBondContact O-N 3.39Å
95K94.3Very high94.4Very high207 Ų207149.5 Ų149.590%0.973%0.734SS**  trans-75.8114.4177.8-68.7178.9-177.8172.40109
96Q93.6Very high94.5Very high156 Ų156146.1 Ų146.173%0.72973%0.728SS**  trans-62.7140168.1-64.1172.89.200110.6D94 K98D94-Q96 PolarHBondContact O-N 3.39Å; Q96-K98 PolarHBondContact O-N 3.5Å
97E91.4Very high94.6Very high198 Ų198145.6 Ų145.693%0.92572%0.717SS**  trans-66.6124.8173.7-167.2176.8177.200109.9
98K93Very high94.8Very high167 Ų167143.3 Ų143.373%0.72671%0.708SS**  trans-122142.9176.9-67.3-175.3-178.3-178.50109.2Q96 K100Q96-K98 PolarHBondContact O-N 3.5Å; K98-K100 PolarHBondContact O-N 3.13Å
99K93.5Very high95Very high204 Ų204148.3 Ų148.389%0.88771%0.706SS**PPolyproline II helixtrans-50.5129.5175.7-172.3171.1-174166.40110.7K101K99-K101 PolarHBondContact O-N 3.02Å
100K93Very high95Very high199 Ų199146 Ų14687%0.86570%0.697SS**PPolyproline II helixtrans-55.5126177.6-68.3-179-178175.20109.7K98K98-K100 PolarHBondContact O-N 3.13Å
101K93.4Very high95Very high183 Ų183144.7 Ų144.780%0.79669%0.685SS**PPolyproline II helixtrans-71.2132.8177.4-65.7179-177.8174.40108.8K99K99-K101 PolarHBondContact O-N 3.02Å
102K96.2Very high95.1Very high142 Ų142145.7 Ų145.762%0.61768%0.675SS**PPolyproline II helixtrans-58.4149170-61-168.6-176.3-177.60109.9A106 K107 I110K102-A106 HydrophobicContact CB-CB 4.32Å; K102-A106 HydrophobicContact CD-CB 4.22Å; K102-K107 VanDerWaalsContact O-CB 3.32Å; K102-K107 WeakPolarHBondContact O-CB 3.22Å; K102-K107 WeakPolarHBondContact O-CD 3.39Å; K102-K107 WeakPolarHBondContact O-CG 3.34Å; K102-I110 HydrophobicContact CD-CD1 3.96Å
103T96.1Very high95.1Very high114 Ų114139.4 Ų139.470%0.69965%0.65SS**  trans-119.9175.7-179.356.20000111.1K107T103-K107 PolarHBondContact O-N 3.34Å
104G97.1Very high95Very high53 Ų53140.7 Ų140.755%0.54664%0.642SS.*Hα-helixtrans59.6-143.1175.200000115.1A106 K107 R108G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 2.93Å; G104-K107 WeakPolarHBondContact O-CB 3.17Å; G104-K107 PolarHBondContact O-N 3.09Å; G104-K107 VanDerWaalsContact O-N 3.13Å; G104-R108 PolarHBondContact O-N 3.43Å
105R97.3Very high95Very high220 Ų220141.1 Ų141.183%0.8363%0.633SS**Hα-helixtrans-56.9-39.5-178.3-175.1176.4178.5-113.41.7112.5K107 R108 R109R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.07Å; R105-R108 PolarHBondContact O-N 3.07Å; R105-R109 PolarHBondContact O-N 3.47Å
106A96.8Very high94.8Very high48 Ų48137.9 Ų137.940%0.39762%0.619SS.*Hα-helixtrans-61.7-41.2178.500000112K102 G104 I110K102-A106 HydrophobicContact CB-CB 4.32Å; K102-A106 HydrophobicContact CD-CB 4.22Å; G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 2.93Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 2.82Å
107K97.4Very high94.7Very high96 Ų96134.7 Ų134.742%0.41761%0.61SS.*Hα-helixtrans-64.1-42.6174.9-168.7-178177.9-178.70112K102 T103 G104 R105 I110 Q111K102-K107 VanDerWaalsContact O-CB 3.32Å; K102-K107 WeakPolarHBondContact O-CB 3.22Å; K102-K107 WeakPolarHBondContact O-CD 3.39Å; K102-K107 WeakPolarHBondContact O-CG 3.34Å; T103-K107 PolarHBondContact O-N 3.34Å; G104-K107 WeakPolarHBondContact O-CB 3.17Å; G104-K107 PolarHBondContact O-N 3.09Å; G104-K107 VanDerWaalsContact O-N 3.13Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.07Å; K107-I110 PolarHBondContact O-N 3.21Å; K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 3.02Å
108R97.3Very high94.5Very high174 Ų174130.8 Ų130.866%0.65760%0.596SS**Hα-helixtrans-64.2-42.2179.2-68.1-61.6-171.1-1797.5112G104 R105 I110 Q111 Y112G104-R108 PolarHBondContact O-N 3.43Å; R105-R108 PolarHBondContact O-N 3.07Å; R108-I110 PolarHBondContact O-N 3.3Å; R108-Q111 PolarHBondContact O-N 3.42Å; R108-Y112 PolarHBondContact O-N 2.93Å
109R97.1Very high94.1Very high175 Ų175125.9 Ų125.966%0.6658%0.58SS**Hα-helixtrans-59.1-45.4174.3-171.2177.2-179.6-174.1-0.2111.9R105 Q111 Y112 N113R105-R109 PolarHBondContact O-N 3.47Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.04Å; R109-Y112 PolarHBondContact O-N 3.44Å; R109-N113 PolarHBondContact O-N 3.2Å; R109-N113 PolarHBondContact O-OD1 3.02Å
110I95.4Very high93.5Very high89 Ų89121.7 Ų121.746%0.45657%0.571SS.*Hα-helixtrans-61.3-42.5176.3-68.5167.5000111.2K102 A106 K107 R108 R114K102-I110 HydrophobicContact CD-CD1 3.96Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 2.82Å; K107-I110 PolarHBondContact O-N 3.21Å; R108-I110 PolarHBondContact O-N 3.3Å; I110-R114 WeakPolarHBondContact O-CB 3.42Å; I110-R114 PolarHBondContact O-N 3.46Å
111Q94.6Very high92.9Very high53 Ų53118 Ų11825%0.24857%0.567CS.*Hα-helixtrans-64.2-42.4178-74.5179.3-17.300112.7K107 R108 R109 R114 R115K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 3.02Å; R108-Q111 PolarHBondContact O-N 3.42Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.04Å; Q111-R114 PolarHBondContact O-N 3.35Å; Q111-R115 WeakPolarHBondContact O-CB 3.41Å; Q111-R115 WeakPolarHBondContact O-CG 3.4Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.09Å
112Y96.6Very high92.2Very high134 Ų134114.6 Ų114.653%0.52556%0.562SS.*Hα-helixtrans-61-52.1177.1178.3-94.6000110.8R108 R109 R114 R115 F116 V117R108-Y112 PolarHBondContact O-N 2.93Å; R109-Y112 PolarHBondContact O-N 3.44Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 3.2Å; Y112-R115 PolarHBondContact O-N 2.96Å; Y112-F116 AromaticContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CD2 3.48Å; Y112-F116 VanDerWaalsContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CE2 4.06Å; Y112-F116 HydrophobicContact CD2-CG 4.36Å; Y112-F116 HydrophobicContact CE2-CB 4.23Å; Y112-F116 AromaticContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CE2 4.38Å; Y112-F116 HydrophobicContact CE2-CG 4.18Å; Y112-F116 HydrophobicContact CG-CD2 4.17Å; Y112-F116 PolarHBondContact O-N 3.17Å; Y112-V117 HydrophobicContact CD1-CG2 3.92Å; Y112-V117 HydrophobicContact CE1-CG2 3.54Å
113N95.5Very high91.6Very high56 Ų56118.1 Ų118.130%0.29958%0.578SS.*Iπ-helixtrans-57.5-43.9178.7-69.88.8000111.3R109 R115 V117 N118R109-N113 PolarHBondContact O-N 3.2Å; R109-N113 PolarHBondContact O-OD1 3.02Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; N113-V117 HydrophobicContact CB-CB 4.49Å; N113-V117 PolarHBondContact O-N 3.42Å; N113-N118 WeakPolarHBondContact O-CB 3.44Å; N113-N118 PolarHBondContact O-N 3.13Å
114R92.6Very high91Very high150 Ų150116.1 Ų116.157%0.56658%0.579SS**Iπ-helixtrans-66.6-26.9179.2-163.4178.978.9152.46.6113.9I110 Q111 Y112 V119I110-R114 WeakPolarHBondContact O-CB 3.42Å; I110-R114 PolarHBondContact O-N 3.46Å; Q111-R114 PolarHBondContact O-N 3.35Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 3.2Å; R114-V119 WeakPolarHBondContact O-CG2 3.4Å
115R92.1Very high90.4Very high146 Ų146123.3 Ų123.355%0.55160%0.596SS**Iπ-helixtrans-98.2-27.8-173.8-75.2-180176.7-173.5-1.8114.2Q111 Y112 N113 V119Q111-R115 WeakPolarHBondContact O-CB 3.41Å; Q111-R115 WeakPolarHBondContact O-CG 3.4Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.09Å; Y112-R115 PolarHBondContact O-N 2.96Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; R115-V119 VanDerWaalsContact C-CG2 3.45Å; R115-V119 WeakPolarHBondContact O-CG2 3.32Å
116F90.4Very high89.8Confident139 Ų139121.7 Ų121.761%0.6160%0.595SS**Iπ-helixtrans-126.1-43.9-170.1-59.5-70.7000112.7Y112Y112-F116 AromaticContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CD2 3.48Å; Y112-F116 VanDerWaalsContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CE2 4.06Å; Y112-F116 HydrophobicContact CD2-CG 4.36Å; Y112-F116 HydrophobicContact CE2-CB 4.23Å; Y112-F116 AromaticContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CE2 4.38Å; Y112-F116 HydrophobicContact CE2-CG 4.18Å; Y112-F116 HydrophobicContact CG-CD2 4.17Å; Y112-F116 PolarHBondContact O-N 3.17Å
117V92.6Very high89.3Confident88 Ų88126.3 Ų126.353%0.53361%0.606SS.*Iπ-helixtrans-82-47.9-174.7-175.70000111.6Y112 N113Y112-V117 HydrophobicContact CD1-CG2 3.92Å; Y112-V117 HydrophobicContact CE1-CG2 3.54Å; N113-V117 HydrophobicContact CB-CB 4.49Å; N113-V117 PolarHBondContact O-N 3.42Å
118N87.5Confident88.8Confident117 Ų117123.9 Ų123.963%0.62661%0.608SS**SBendtrans-91.21.9-173.2-62.77.7000113N113 V120N113-N118 WeakPolarHBondContact O-CB 3.44Å; N113-N118 PolarHBondContact O-N 3.13Å; N118-V120 PolarHBondContact O-N 3.3Å
119V84.9Confident88.4Confident64 Ų64120.8 Ų120.839%0.38861%0.611SS.*  trans-85.2114.8179.7175.80000108.6R114 R115R114-V119 WeakPolarHBondContact O-CG2 3.4Å; R115-V119 VanDerWaalsContact C-CG2 3.45Å; R115-V119 WeakPolarHBondContact O-CG2 3.32Å
120V80.4Confident88.1Confident115 Ų115119.2 Ų119.270%0.69762%0.615SS**  trans-87.3125.4168.9-1790000108.3N118 T122N118-V120 PolarHBondContact O-N 3.3Å; V120-T122 PolarHBondContact O-N 3.41Å; V120-T122 VanDerWaalsContact O-N 3.16Å
121P79.4Confident87.9Confident121 Ų121117.4 Ų117.479%0.78661%0.613SS**  trans-63.5114.9174.5-18.731.2000109.9
122T79.8Confident87.7Confident112 Ų112122.5 Ų122.569%0.68764%0.643SS**  trans-101.6147.1172.160.20000109.6V120V120-T122 PolarHBondContact O-N 3.41Å; V120-T122 VanDerWaalsContact O-N 3.16Å
123F82.4Confident86.9Confident217 Ų217122.5 Ų122.595%0.95266%0.662SS**SBendtrans-65.6141.1173.4-70.2-88.5000110.5
124G83.8Confident86.4Confident71 Ų71125.9 Ų125.973%0.73268%0.68SS**SBendtrans103.2-168.7-179.500000114.7K126G124-K126 PolarHBondContact O-N 3.25Å
125K85.5Confident86.1Confident205 Ų205124.6 Ų124.689%0.89169%0.686SS**SBendtrans-69.7129.2-176.1-70.4-177.4179.7176.50110.8K127K125-K127 PolarHBondContact O-N 3.34Å
126K83.9Confident85.8Confident186 Ų186123.4 Ų123.481%0.80969%0.694SS**PPolyproline II helixtrans-60.3118.3178.3-169.7171.6-174.3168.80110.9G124G124-K126 PolarHBondContact O-N 3.25Å
127K86.3Confident85.5Confident144 Ų144122.5 Ų122.563%0.62670%0.699SS**PPolyproline II helixtrans-69.9138.9175.5-76.9-167.6173.8-170.40111.3K125 S133K125-K127 PolarHBondContact O-N 3.34Å; K127-S133 PolarHBondContact NZ-O 3.26Å
128G87.3Confident85.1Confident45 Ų45124.6 Ų124.646%0.46471%0.709SS.*PPolyproline II helixtrans-74.7156.8176.900000112.8N130 A131G128-N130 PolarHBondContact O-N 3.33Å; G128-N130 VanDerWaalsContact O-N 3.09Å; G128-A131 PolarHBondContact O-N 3.24Å
129P87.7Confident84.9Confident110 Ų110125.1 Ų125.171%0.71472%0.715SS**THydrogen-bonded Turntrans-70.1-3.8-176.128.3-36.2000115.6
130N92.1Very high84.9Confident141 Ų141129.5 Ų129.575%0.75474%0.738SS**THydrogen-bonded Turntrans-13429.7178.1-158.550.4000111G128G128-N130 PolarHBondContact O-N 3.33Å; G128-N130 VanDerWaalsContact O-N 3.09Å
131A90.7Very high85.2Confident51 Ų51130.6 Ų130.642%0.42174%0.741SS.*  trans-73.7128.2171.800000108.9G128 S133G128-A131 PolarHBondContact O-N 3.24Å; A131-S133 VanDerWaalsContact C-N 3.33Å
132N90.8Very high85.7Confident161 Ų161131.4 Ų131.486%0.86174%0.737SS**  trans-92.63.8179.7-63-25.2000112.9
133S78.4Confident86.3Confident134 Ų134133.2 Ų133.294%0.93774%0.742SS**  trans-96.20-177.862.70000113.3K127 A131K127-S133 PolarHBondContact NZ-O 3.26Å; A131-S133 VanDerWaalsContact C-N 3.33Å

Retrieved 133 of 133 residues in 59.5 ms (Link to these results)