A0A077ZF80_TRITR Loading...

Ribosomal S30AE domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 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
1M87.6Confident96Very high68 Ų6873 Ų7334%0.33539%0.392SS..  0135.30175.9-177.166.100111L3 F24 E28 I34 V37M1-L3 HydrophobicContact CE-CB 4.5Å; M1-F24 HydrophobicContact CE-CB 3.92Å; M1-F24 HydrophobicContact SD-CB 4.24Å; M1-E28 HydrophobicContact CB-CG 4.37Å; M1-E28 WeakPolarHBondContact CB-OE1 3.39Å; M1-E28 VanDerWaalsContact CB-OE2 3.3Å; M1-E28 WeakPolarHBondContact CB-OE2 3.41Å; M1-E28 PolarHBondContact N-OE1 3.44Å; M1-E28 HydrophobicContact SD-CB 4.43Å; M1-I34 HydrophobicContact CG-CG2 4.18Å; M1-I34 HydrophobicContact SD-CG2 4.22Å; M1-V37 HydrophobicContact CG-CB 4.45Å; M1-V37 HydrophobicContact CG-CG2 3.64Å; M1-V37 HydrophobicContact SD-CB 4.4Å; M1-V37 HydrophobicContact SD-CG2 3.49Å; M1-V37 WeakPolarHBondContact SD-CG2 3.49Å
2Q93Very high96.2Very high109 Ų10970.1 Ų70.151%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-96.5122.7164.1-174.6-173.938.300109.8N35 Q36 V37Q2-N35 PolarHBondContact N-O 3.37Å; Q2-N35 VanDerWaalsContact N-O 3.07Å; Q2-Q36 HydrophobicContact CB-CG 4.46Å; Q2-V37 PolarHBondContact O-N 2.83Å
3L96.9Very high96.3Very high40 Ų4069.7 Ų69.721%0.20938%0.378CS..EExtended strand (participates in β ladder)trans-107.1119.4-178.3179.962.7000111.1M1 I5 V20 T21 F24 V37 V39M1-L3 HydrophobicContact CE-CB 4.5Å; L3-I5 HydrophobicContact CD1-CG1 4.33Å; L3-I5 HydrophobicContact CD2-CD1 4.04Å; L3-I5 HydrophobicContact CD2-CG1 4.32Å; L3-I5 HydrophobicContact CG-CD1 4.23Å; L3-I5 HydrophobicContact CG-CG1 3.98Å; L3-V20 HydrophobicContact CD2-CG1 4.34Å; L3-T21 HydrophobicContact CD2-CG2 4.37Å; L3-F24 HydrophobicContact CD1-CB 4.47Å; L3-F24 HydrophobicContact CD1-CD2 4.28Å; L3-F24 HydrophobicContact CD1-CG 4.19Å; L3-F24 HydrophobicContact CD2-CB 4.33Å; L3-V37 HydrophobicContact CD1-CB 3.75Å; L3-V37 HydrophobicContact CD1-CG1 3.49Å; L3-V37 VanDerWaalsContact CD1-CG1 3.49Å; L3-V39 HydrophobicContact CD1-CG2 3.69Å
4N98Very high96.4Very high52 Ų5275.4 Ų75.428%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-111.6122.6176.1-58.6-71.2000109.2V37 Y38 V39N4-V37 PolarHBondContact N-O 2.6Å; N4-V37 PolarHBondContact ND2-O 2.8Å; N4-Y38 HydrophobicContact CB-CD1 3.79Å; N4-Y38 HydrophobicContact CB-CE1 4.18Å; N4-V39 PolarHBondContact O-N 3.05Å
5I98.2Very high96.5Very high24 Ų2474 Ų7412%0.12340%0.404CS..EExtended strand (participates in β ladder)trans-119.1124.9-177.3-52.6169.3000108.9L3 I12 R17 V20 V39 L41L3-I5 HydrophobicContact CD1-CG1 4.33Å; L3-I5 HydrophobicContact CD2-CD1 4.04Å; L3-I5 HydrophobicContact CD2-CG1 4.32Å; L3-I5 HydrophobicContact CG-CD1 4.23Å; L3-I5 HydrophobicContact CG-CG1 3.98Å; I5-I12 HydrophobicContact CG2-CD1 4.14Å; I5-I12 HydrophobicContact CG2-CG1 4.37Å; I5-I12 HydrophobicContact CG2-CG2 4.09Å; I5-R17 HydrophobicContact CD1-CG 4.19Å; I5-V20 HydrophobicContact CD1-CB 3.86Å; I5-V20 HydrophobicContact CD1-CG1 3.64Å; I5-V20 HydrophobicContact CG1-CG1 4.04Å; I5-V39 WeakPolarHBondContact CA-O 3.34Å; I5-V39 HydrophobicContact CG1-CB 4.42Å; I5-L41 HydrophobicContact CG2-CD1 4.46Å
6T98.2Very high96.6Very high83 Ų8370 Ų7051%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-122.5138.5177.8-58.90000109.9V39 V40 L41T6-V39 PolarHBondContact N-O 3.21Å; T6-V40 WeakPolarHBondContact O-CA 3.44Å; T6-L41 PolarHBondContact O-N 3.45Å
7G97.9Very high96.7Very high30 Ų3073.4 Ų73.431%0.30939%0.387SS..EExtended strand (participates in β ladder)trans-103.9138.8171.600000111.7L41G7-L41 CarbonylContact C-O 3.56Å; G7-L41 WeakPolarHBondContact CA-O 3.34Å
8N97.5Very high96.7Very high72 Ų7276 Ų7639%0.38540%0.397SS..EExtended strand (participates in β ladder)trans-121.8112.8170.3-175.91.8000109.1V10 L41 K42 V43N8-V10 PolarHBondContact O-N 3.5Å; N8-L41 PolarHBondContact N-O 3.08Å; N8-K42 HydrophobicContact CB-CB 4.35Å; N8-K42 HydrophobicContact CB-CG 4.08Å; N8-K42 WeakPolarHBondContact O-CA 3.25Å; N8-V43 PolarHBondContact O-N 3.12Å; N8-V43 VanDerWaalsContact O-N 3.15Å
9N96.3Very high96.8Very high128 Ų12874.5 Ų74.568%0.68439%0.388SS*.SBendtrans54.726.5-168.5-56.2-31000113.7V43N9-V43 WeakPolarHBondContact CB-O 3.36Å
10V96.2Very high96.9Very high37 Ų3770.8 Ų70.822%0.22437%0.368CS..SBendtrans-143.4134.1174.361.90000109.3N8 I12 L41 V43 M70N8-V10 PolarHBondContact O-N 3.5Å; V10-I12 HydrophobicContact CG1-CD1 4.33Å; V10-L41 HydrophobicContact CG1-CB 3.89Å; V10-L41 WeakPolarHBondContact CG1-O 3.49Å; V10-V43 HydrophobicContact CB-CG2 3.92Å; V10-V43 HydrophobicContact CG2-CG2 4.2Å; V10-M70 HydrophobicContact CG1-CE 4.39Å; V10-M70 HydrophobicContact CG2-CE 4.38Å
11E96.7Very high96.9Very high160 Ų16070.4 Ų70.475%0.74837%0.369SS*.  trans-80.3130.7173.4-174.1175.8-178.400110T13E11-T13 PolarHBondContact O-N 3.27Å; E11-T13 VanDerWaalsContact O-N 3.16Å
12I97.5Very high97.4Very high38 Ų3870.2 Ų70.220%0.19538%0.378CS..  trans-86.686.6176.8-51.9-57.6000108.7I5 V10 L16 R17 L41I5-I12 HydrophobicContact CG2-CD1 4.14Å; I5-I12 HydrophobicContact CG2-CG1 4.37Å; I5-I12 HydrophobicContact CG2-CG2 4.09Å; V10-I12 HydrophobicContact CG1-CD1 4.33Å; I12-L16 HydrophobicContact CD1-CD2 4.18Å; I12-R17 HydrophobicContact CG2-CB 4.16Å; I12-L41 HydrophobicContact CD1-CB 4.23Å; I12-L41 HydrophobicContact CD1-CD1 3.88Å; I12-L41 HydrophobicContact CD1-CG 4.35Å
13T97.8Very high97.6Very high65 Ų6567.7 Ų67.740%0.39937%0.366SS..  trans-65.8162.2174.468.50000111.4E11 A15 L16 R17E11-T13 PolarHBondContact O-N 3.27Å; E11-T13 VanDerWaalsContact O-N 3.16Å; T13-A15 PolarHBondContact O-N 3.44Å; T13-L16 PolarHBondContact O-N 3.25Å; T13-L16 WeakPolarHBondContact OG1-CB 3.36Å; T13-L16 PolarHBondContact OG1-N 3.44Å; T13-R17 WeakPolarHBondContact O-CB 3.31Å; T13-R17 PolarHBondContact O-N 3.32Å
14E97.7Very high97.6Very high150 Ų15065.9 Ų65.970%0.70136%0.356SS*.Hα-helixtrans-60.8-45.3177.9-171.5154.8-15800112L16 R17 E18E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.46Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 VanDerWaalsContact O-N 3.16Å; E14-E18 WeakPolarHBondContact O-CG 3.44Å; E14-E18 PolarHBondContact O-N 3.08Å
15A98Very high97.5Very high54 Ų5465.2 Ų65.245%0.44636%0.357SS..Hα-helixtrans-59.2-40.3175.100000112.7T13 F19T13-A15 PolarHBondContact O-N 3.44Å; A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.88Å
16L97.9Very high97.3Very high10 Ų1069.8 Ų69.85%0.05238%0.377CS..Hα-helixtrans-68-41.7177-175.958.3000111.3I12 T13 E14 F19 V20 L41 M70 I74I12-L16 HydrophobicContact CD1-CD2 4.18Å; T13-L16 PolarHBondContact O-N 3.25Å; T13-L16 WeakPolarHBondContact OG1-CB 3.36Å; T13-L16 PolarHBondContact OG1-N 3.44Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.46Å; L16-F19 PolarHBondContact O-N 3.35Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.26Å; L16-L41 HydrophobicContact CD1-CD1 4.16Å; L16-L41 HydrophobicContact CD2-CD1 3.77Å; L16-L41 HydrophobicContact CG-CD1 3.96Å; L16-M70 HydrophobicContact CD1-CG 4.01Å; L16-M70 HydrophobicContact CD2-CG 4.3Å; L16-I74 HydrophobicContact CD1-CD1 3.68Å
17R98.1Very high97Very high127 Ų12766.2 Ų66.248%0.47935%0.354SS..Hα-helixtrans-61.3-46.1175.2176.6177-67.5-108.5-1.5111.6I5 I12 T13 E14 V20 T21I5-R17 HydrophobicContact CD1-CG 4.19Å; I12-R17 HydrophobicContact CG2-CB 4.16Å; T13-R17 WeakPolarHBondContact O-CB 3.31Å; T13-R17 PolarHBondContact O-N 3.32Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 VanDerWaalsContact O-N 3.16Å; R17-V20 PolarHBondContact O-N 2.96Å; R17-T21 VanDerWaalsContact O-CB 3.29Å; R17-T21 WeakPolarHBondContact O-CB 3.1Å; R17-T21 PolarHBondContact O-N 3.07Å; R17-T21 PolarHBondContact O-OG1 3.49Å
18E98.1Very high96.8Very high121 Ų12168.1 Ų68.157%0.56536%0.355SS*.Hα-helixtrans-61.3-44.5176.7-74.4179.6174.100111.4E14 T21 A22E14-E18 WeakPolarHBondContact O-CG 3.44Å; E14-E18 PolarHBondContact O-N 3.08Å; E18-T21 PolarHBondContact O-N 3.26Å; E18-A22 WeakPolarHBondContact O-CB 3.47Å; E18-A22 PolarHBondContact O-N 2.97Å
19F98.3Very high96.4Very high48 Ų4871.9 Ų71.921%0.21137%0.37CS..Hα-helixtrans-59.8-51.1177.6-176.7-100.5000112A15 L16 T21 A22 K23 Y71 I74A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.88Å; L16-F19 PolarHBondContact O-N 3.35Å; F19-T21 VanDerWaalsContact C-N 3.33Å; F19-T21 PolarHBondContact O-N 3.34Å; F19-A22 PolarHBondContact O-N 2.9Å; F19-K23 HydrophobicContact CD1-CG 4.38Å; F19-K23 HydrophobicContact CE1-CG 4.15Å; F19-K23 HydrophobicContact CZ-CD 4.34Å; F19-K23 HydrophobicContact CZ-CG 4.26Å; F19-K23 VanDerWaalsContact O-CG 3.22Å; F19-K23 WeakPolarHBondContact O-CG 3.49Å; F19-K23 PolarHBondContact O-N 3.26Å; F19-Y71 HydrophobicContact CB-CD1 4.42Å; F19-Y71 HydrophobicContact CB-CE1 3.92Å; F19-Y71 AromaticContact CD1-CD1 3.52Å; F19-Y71 HydrophobicContact CD1-CD1 3.52Å; F19-Y71 AromaticContact CD1-CE1 3.88Å; F19-Y71 HydrophobicContact CD1-CE1 3.88Å; F19-Y71 AromaticContact CD2-CD1 3.82Å; F19-Y71 HydrophobicContact CD2-CD1 3.82Å; F19-Y71 AromaticContact CD2-CE1 3.94Å; F19-Y71 HydrophobicContact CD2-CE1 3.94Å; F19-Y71 AromaticContact CE1-CD1 3.54Å; F19-Y71 HydrophobicContact CE1-CD1 3.54Å; F19-Y71 HydrophobicContact CE1-CE1 4.35Å; F19-Y71 HydrophobicContact CE1-CG 4.33Å; F19-Y71 AromaticContact CE2-CD1 3.83Å; F19-Y71 HydrophobicContact CE2-CD1 3.83Å; F19-Y71 HydrophobicContact CE2-CE1 4.39Å; F19-Y71 AromaticContact CG-CD1 3.65Å; F19-Y71 HydrophobicContact CG-CD1 3.65Å; F19-Y71 AromaticContact CG-CE1 3.64Å; F19-Y71 HydrophobicContact CG-CE1 3.64Å; F19-Y71 AromaticContact CZ-CD1 3.67Å; F19-Y71 HydrophobicContact CZ-CD1 3.67Å; F19-Y71 HydrophobicContact CZ-CG 4.5Å; F19-I74 HydrophobicContact CD1-CD1 4.05Å; F19-I74 HydrophobicContact CD1-CG2 4.09Å; F19-I74 HydrophobicContact CE1-CB 4.01Å; F19-I74 HydrophobicContact CE1-CD1 4.27Å; F19-I74 HydrophobicContact CE1-CG2 3.73Å
20V98.1Very high96Very high0 Ų072.5 Ų72.50%036%0.364CS..Hα-helixtrans-58.3-47.6176.1175.90000110.1L3 I5 L16 R17 A22 K23 F24 V39 L41 I74L3-V20 HydrophobicContact CD2-CG1 4.34Å; I5-V20 HydrophobicContact CD1-CB 3.86Å; I5-V20 HydrophobicContact CD1-CG1 3.64Å; I5-V20 HydrophobicContact CG1-CG1 4.04Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.26Å; R17-V20 PolarHBondContact O-N 2.96Å; V20-A22 PolarHBondContact O-N 3.49Å; V20-K23 PolarHBondContact O-N 3.44Å; V20-F24 HydrophobicContact CG1-CD2 3.67Å; V20-F24 HydrophobicContact CG1-CE2 3.84Å; V20-F24 WeakPolarHBondContact O-CD2 3.39Å; V20-F24 PolarHBondContact O-N 3.18Å; V20-V39 HydrophobicContact CG1-CG1 4.35Å; V20-V39 HydrophobicContact CG1-CG2 4.25Å; V20-L41 HydrophobicContact CG2-CD1 4.14Å; V20-I74 HydrophobicContact CG2-CD1 3.59Å; V20-I74 HydrophobicContact CG2-CG1 4.31Å
21T97.6Very high95.6Very high62 Ų6271.8 Ų71.838%0.3836%0.358SS..Hα-helixtrans-60.1-45.4-178.5-57.10000111.7L3 R17 E18 F19 K23 F24 A25L3-T21 HydrophobicContact CD2-CG2 4.37Å; R17-T21 VanDerWaalsContact O-CB 3.29Å; R17-T21 WeakPolarHBondContact O-CB 3.1Å; R17-T21 PolarHBondContact O-N 3.07Å; R17-T21 PolarHBondContact O-OG1 3.49Å; E18-T21 PolarHBondContact O-N 3.26Å; F19-T21 VanDerWaalsContact C-N 3.33Å; F19-T21 PolarHBondContact O-N 3.34Å; T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 3.22Å; T21-F24 PolarHBondContact O-N 3.35Å; T21-A25 VanDerWaalsContact O-CB 3.25Å; T21-A25 WeakPolarHBondContact O-CB 3.11Å; T21-A25 PolarHBondContact O-N 3.27Å
22A97.6Very high94.4Very high64 Ų6470.4 Ų70.453%0.52936%0.356SS..Hα-helixtrans-62.9-40.417800000112.2E18 F19 V20 K26E18-A22 WeakPolarHBondContact O-CB 3.47Å; E18-A22 PolarHBondContact O-N 2.97Å; F19-A22 PolarHBondContact O-N 2.9Å; V20-A22 PolarHBondContact O-N 3.49Å; A22-K26 PolarHBondContact O-N 3.05Å; A22-K26 VanDerWaalsContact O-N 3.08Å
23K97.5Very high93.8Very high57 Ų5776 Ų7625%0.24838%0.375CS..Hα-helixtrans-66.3-45.3178.1-67.2-74.8178.3164.80112.2F19 V20 T21 K26 L27 I74 D75 I78F19-K23 HydrophobicContact CD1-CG 4.38Å; F19-K23 HydrophobicContact CE1-CG 4.15Å; F19-K23 HydrophobicContact CZ-CD 4.34Å; F19-K23 HydrophobicContact CZ-CG 4.26Å; F19-K23 VanDerWaalsContact O-CG 3.22Å; F19-K23 WeakPolarHBondContact O-CG 3.49Å; F19-K23 PolarHBondContact O-N 3.26Å; V20-K23 PolarHBondContact O-N 3.44Å; T21-K23 VanDerWaalsContact C-N 3.35Å; T21-K23 PolarHBondContact O-N 3.22Å; K23-K26 WeakPolarHBondContact O-CB 3.34Å; K23-K26 PolarHBondContact O-N 3.3Å; K23-L27 PolarHBondContact O-N 3.28Å; K23-L27 VanDerWaalsContact O-N 3.12Å; K23-I74 HydrophobicContact CG-CG2 4.42Å; K23-D75 WeakPolarHBondContact CE-OD1 3.46Å; K23-D75 IonicContact NZ-OD1 2.6Å; K23-D75 PolarHBondContact NZ-OD1 3.34Å; K23-D75 IonicContact NZ-OD2 3.55Å; K23-I78 HydrophobicContact CB-CD1 3.78Å; K23-I78 HydrophobicContact CB-CG1 3.89Å
24F96.9Very high93.4Very high1 Ų173.2 Ų73.20%0.00436%0.357CS..Hα-helixtrans-71-33.6177.1-82.9-87.4000112.8M1 L3 V20 T21 K26 L27 E28 V37 V39 A52 L54 L77 I78 L81M1-F24 HydrophobicContact CE-CB 3.92Å; M1-F24 HydrophobicContact SD-CB 4.24Å; L3-F24 HydrophobicContact CD1-CB 4.47Å; L3-F24 HydrophobicContact CD1-CD2 4.28Å; L3-F24 HydrophobicContact CD1-CG 4.19Å; L3-F24 HydrophobicContact CD2-CB 4.33Å; V20-F24 HydrophobicContact CG1-CD2 3.67Å; V20-F24 HydrophobicContact CG1-CE2 3.84Å; V20-F24 WeakPolarHBondContact O-CD2 3.39Å; V20-F24 PolarHBondContact O-N 3.18Å; T21-F24 PolarHBondContact O-N 3.35Å; F24-K26 VanDerWaalsContact C-N 3.31Å; F24-K26 PolarHBondContact O-N 2.91Å; F24-L27 HydrophobicContact CD1-CD2 4.27Å; F24-L27 HydrophobicContact CE1-CD2 4.44Å; F24-L27 WeakPolarHBondContact O-CB 3.47Å; F24-L27 PolarHBondContact O-N 3.21Å; F24-L27 VanDerWaalsContact O-N 3.12Å; F24-E28 PolarHBondContact O-N 2.87Å; F24-V37 HydrophobicContact CD1-CG1 3.71Å; F24-V37 HydrophobicContact CD1-CG2 4.34Å; F24-V37 HydrophobicContact CE1-CG1 3.45Å; F24-V37 VanDerWaalsContact CE1-CG1 3.45Å; F24-V37 HydrophobicContact CG-CG1 4.47Å; F24-V37 HydrophobicContact CZ-CG1 4.04Å; F24-V39 HydrophobicContact CD2-CG2 4.23Å; F24-V39 HydrophobicContact CE1-CG2 4.29Å; F24-V39 HydrophobicContact CE2-CG2 3.49Å; F24-V39 VanDerWaalsContact CE2-CG2 3.49Å; F24-V39 HydrophobicContact CZ-CG2 3.52Å; F24-A52 HydrophobicContact CE1-CB 4.36Å; F24-A52 HydrophobicContact CZ-CB 3.87Å; F24-L54 HydrophobicContact CD1-CD2 4.24Å; F24-L54 HydrophobicContact CE1-CD2 3.86Å; F24-L77 HydrophobicContact CZ-CD2 4.38Å; F24-I78 HydrophobicContact CD1-CD1 4.41Å; F24-I78 HydrophobicContact CD2-CD1 3.92Å; F24-I78 HydrophobicContact CE1-CD1 4.36Å; F24-I78 HydrophobicContact CE2-CD1 3.86Å; F24-I78 HydrophobicContact CG-CD1 4.2Å; F24-I78 HydrophobicContact CZ-CD1 4.09Å; F24-L81 HydrophobicContact CE1-CD1 3.65Å; F24-L81 HydrophobicContact CZ-CD1 3.84Å
25A94.8Very high93.1Very high38 Ų3870.4 Ų70.431%0.31435%0.347SS..Hα-helixtrans-61.4-41.3172.400000111.5T21 L27 E28 Q29T21-A25 VanDerWaalsContact O-CB 3.25Å; T21-A25 WeakPolarHBondContact O-CB 3.11Å; T21-A25 PolarHBondContact O-N 3.27Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 3.46Å; A25-E28 PolarHBondContact O-N 3.13Å; A25-Q29 WeakPolarHBondContact O-CG 3.46Å; A25-Q29 PolarHBondContact O-N 3.36Å; A25-Q29 VanDerWaalsContact O-N 3.13Å
26K94.1Very high93Very high121 Ų12170.1 Ų70.153%0.52634%0.336SS..Hα-helixtrans-60.4-43172.1-173.9176.2-177.7-1780111.1A22 K23 F24 Q29 Y30A22-K26 PolarHBondContact O-N 3.05Å; A22-K26 VanDerWaalsContact O-N 3.08Å; K23-K26 WeakPolarHBondContact O-CB 3.34Å; K23-K26 PolarHBondContact O-N 3.3Å; F24-K26 VanDerWaalsContact C-N 3.31Å; F24-K26 PolarHBondContact O-N 2.91Å; K26-Q29 WeakPolarHBondContact O-CB 3.42Å; K26-Q29 PolarHBondContact O-N 2.75Å; K26-Y30 HydrophobicContact CD-CE2 4.47Å; K26-Y30 HydrophobicContact CG-CD2 4.29Å; K26-Y30 HydrophobicContact CG-CE2 3.73Å; K26-Y30 WeakPolarHBondContact O-CD2 3.36Å
27L93.3Very high93Very high8 Ų869.6 Ų69.64%0.04233%0.334CS..Hα-helixtrans-61.3-44.9177.9-164.867.6000112K23 F24 A25 Q29 Y30 F31 I34 L54 L81 A82 L85K23-L27 PolarHBondContact O-N 3.28Å; K23-L27 VanDerWaalsContact O-N 3.12Å; F24-L27 HydrophobicContact CD1-CD2 4.27Å; F24-L27 HydrophobicContact CE1-CD2 4.44Å; F24-L27 WeakPolarHBondContact O-CB 3.47Å; F24-L27 PolarHBondContact O-N 3.21Å; F24-L27 VanDerWaalsContact O-N 3.12Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 3.46Å; L27-Q29 VanDerWaalsContact C-N 3.28Å; L27-Q29 PolarHBondContact O-N 3.46Å; L27-Y30 PolarHBondContact O-N 3.31Å; L27-F31 HydrophobicContact CD1-CD2 3.87Å; L27-F31 HydrophobicContact CD1-CE2 3.83Å; L27-F31 HydrophobicContact CG-CD2 4.23Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 3.35Å; L27-I34 HydrophobicContact CD2-CD1 4.49Å; L27-I34 HydrophobicContact CG-CD1 4.37Å; L27-L54 HydrophobicContact CD2-CD1 4.23Å; L27-L81 HydrophobicContact CD2-CB 3.94Å; L27-L81 HydrophobicContact CD2-CD1 4.13Å; L27-A82 HydrophobicContact CD1-CB 3.86Å; L27-L85 HydrophobicContact CD1-CD1 3.79Å; L27-L85 HydrophobicContact CD2-CD1 3.66Å; L27-L85 HydrophobicContact CG-CD1 3.63Å
28E91.9Very high93Very high69 Ų6968.2 Ų68.232%0.32233%0.329SS..Hα-helixtrans-58.6-36.9176.1-173.7175.8-157.800112.2M1 F24 A25 Y30 F31M1-E28 HydrophobicContact CB-CG 4.37Å; M1-E28 WeakPolarHBondContact CB-OE1 3.39Å; M1-E28 VanDerWaalsContact CB-OE2 3.3Å; M1-E28 WeakPolarHBondContact CB-OE2 3.41Å; M1-E28 PolarHBondContact N-OE1 3.44Å; M1-E28 HydrophobicContact SD-CB 4.43Å; F24-E28 PolarHBondContact O-N 2.87Å; A25-E28 PolarHBondContact O-N 3.13Å; E28-Y30 VanDerWaalsContact C-N 3.29Å; E28-Y30 PolarHBondContact O-N 3.12Å; E28-F31 CarbonylContact O-C 3.46Å; E28-F31 PolarHBondContact O-N 3.47Å
29Q90.7Very high93.1Very high151 Ų15162.5 Ų62.571%0.70630%0.302SS*.Hα-helixtrans-63-29.1177.4-71.8174.6-8.600114.2A25 K26 L27A25-Q29 WeakPolarHBondContact O-CG 3.46Å; A25-Q29 PolarHBondContact O-N 3.36Å; A25-Q29 VanDerWaalsContact O-N 3.13Å; K26-Q29 WeakPolarHBondContact O-CB 3.42Å; K26-Q29 PolarHBondContact O-N 2.75Å; L27-Q29 VanDerWaalsContact C-N 3.28Å; L27-Q29 PolarHBondContact O-N 3.46Å
30Y88.4Confident93.1Very high142 Ų14262.9 Ų62.956%0.55731%0.309SS*.Hα-helixtrans-91.7-22.3179.6-68.9-79.1000113.1K26 L27 E28 K89K26-Y30 HydrophobicContact CD-CE2 4.47Å; K26-Y30 HydrophobicContact CG-CD2 4.29Å; K26-Y30 HydrophobicContact CG-CE2 3.73Å; K26-Y30 WeakPolarHBondContact O-CD2 3.36Å; L27-Y30 PolarHBondContact O-N 3.31Å; E28-Y30 VanDerWaalsContact C-N 3.29Å; E28-Y30 PolarHBondContact O-N 3.12Å; Y30-K89 PolarHBondContact O-NZ 3.17Å
31F86Confident93.1Very high22 Ų2262.9 Ų62.910%0.09631%0.309CS..SBendtrans-130.698.4-172.2-59-76.4000110.5L27 E28 I34 A82 L85 T86 K89L27-F31 HydrophobicContact CD1-CD2 3.87Å; L27-F31 HydrophobicContact CD1-CE2 3.83Å; L27-F31 HydrophobicContact CG-CD2 4.23Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 3.35Å; E28-F31 CarbonylContact O-C 3.46Å; E28-F31 PolarHBondContact O-N 3.47Å; F31-I34 HydrophobicContact CB-CD1 4.27Å; F31-A82 HydrophobicContact CE2-CB 4.2Å; F31-A82 WeakPolarHBondContact CZ-O 3.26Å; F31-L85 HydrophobicContact CB-CB 4.43Å; F31-L85 HydrophobicContact CB-CD1 4.18Å; F31-L85 HydrophobicContact CB-CD2 4.25Å; F31-L85 HydrophobicContact CD1-CB 3.51Å; F31-L85 HydrophobicContact CD1-CG 4.48Å; F31-L85 HydrophobicContact CD2-CB 3.86Å; F31-L85 HydrophobicContact CD2-CD1 3.59Å; F31-L85 HydrophobicContact CD2-CG 4.31Å; F31-L85 HydrophobicContact CE1-CB 3.53Å; F31-L85 HydrophobicContact CE2-CB 3.89Å; F31-L85 HydrophobicContact CE2-CD1 4.06Å; F31-L85 HydrophobicContact CG-CB 3.67Å; F31-L85 HydrophobicContact CG-CD1 3.88Å; F31-L85 HydrophobicContact CG-CD2 4.38Å; F31-L85 HydrophobicContact CG-CG 4.21Å; F31-L85 HydrophobicContact CZ-CB 3.72Å; F31-T86 WeakPolarHBondContact CZ-OG1 3.47Å; F31-K89 HydrophobicContact CD1-CD 4.32Å
32D73.3Confident93.1Very high130 Ų13062.2 Ų62.270%0.69530%0.3SS*.SBendtrans-59.7149.9172.2-59.5-42.2000110.8
33R83.1Confident93.1Very high157 Ų15760.5 Ų60.559%0.59228%0.283SS*.  trans7833171.2-48.2160.6173.4-167.30.9115.7V56 N57R33-V56 WeakPolarHBondContact O-CA 3.36Å; R33-N57 HydrophobicContact CB-CB 4.02Å; R33-N57 WeakPolarHBondContact CD-ND2 3.4Å; R33-N57 PolarHBondContact O-N 3.34Å
34I90.8Very high93Very high6 Ų662.3 Ų62.33%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-85.5108.5162.1-55177.6000108.5M1 L27 F31 V37 L54 V56 L85M1-I34 HydrophobicContact CG-CG2 4.18Å; M1-I34 HydrophobicContact SD-CG2 4.22Å; L27-I34 HydrophobicContact CD2-CD1 4.49Å; L27-I34 HydrophobicContact CG-CD1 4.37Å; F31-I34 HydrophobicContact CB-CD1 4.27Å; I34-V37 HydrophobicContact CG2-CG2 3.55Å; I34-L54 HydrophobicContact CG2-CD2 4.07Å; I34-V56 HydrophobicContact CG1-CG1 4.06Å; I34-L85 HydrophobicContact CD1-CD1 4Å; I34-L85 HydrophobicContact CD1-CD2 4.31Å; I34-L85 HydrophobicContact CG1-CD2 4.38Å
35N91.9Very high92.8Very high90 Ų9072.2 Ų72.248%0.48134%0.336SS..EExtended strand (participates in β ladder)trans-84.1-51.9-173.4-62-35.2000111.1Q2 H55 N57Q2-N35 PolarHBondContact N-O 3.37Å; Q2-N35 VanDerWaalsContact N-O 3.07Å; N35-H55 PolarHBondContact N-O 3.25Å; N35-N57 PolarHBondContact ND2-OD1 3.18Å; N35-N57 VanDerWaalsContact ND2-OD1 3.12Å
36Q95.3Very high92.7Very high48 Ų4876.4 Ų76.422%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-141.4143.4-175.2-167.6173.339.700110.5Q2 Y38 H55Q2-Q36 HydrophobicContact CB-CG 4.46Å; Q36-Y38 VanDerWaalsContact CD-CE2 3.46Å; Q36-Y38 HydrophobicContact CG-CD2 4.39Å; Q36-Y38 HydrophobicContact CG-CE2 3.74Å; Q36-Y38 PolarHBondContact NE2-OH 3.21Å; Q36-Y38 PolarHBondContact OE1-OH 3.17Å; Q36-H55 HydrophobicContact CB-CB 4.24Å; Q36-H55 PolarHBondContact O-N 3.5Å
37V97.7Very high92.8Very high0 Ų073.1 Ų73.10%035%0.347CS..EExtended strand (participates in β ladder)trans-129.9130.7179.4-179.90000109.4M1 Q2 L3 N4 F24 I34 V39 T53 L54M1-V37 HydrophobicContact CG-CB 4.45Å; M1-V37 HydrophobicContact CG-CG2 3.64Å; M1-V37 HydrophobicContact SD-CB 4.4Å; M1-V37 HydrophobicContact SD-CG2 3.49Å; M1-V37 WeakPolarHBondContact SD-CG2 3.49Å; Q2-V37 PolarHBondContact O-N 2.83Å; L3-V37 HydrophobicContact CD1-CB 3.75Å; L3-V37 HydrophobicContact CD1-CG1 3.49Å; L3-V37 VanDerWaalsContact CD1-CG1 3.49Å; N4-V37 PolarHBondContact N-O 2.6Å; N4-V37 PolarHBondContact ND2-O 2.8Å; F24-V37 HydrophobicContact CD1-CG1 3.71Å; F24-V37 HydrophobicContact CD1-CG2 4.34Å; F24-V37 HydrophobicContact CE1-CG1 3.45Å; F24-V37 VanDerWaalsContact CE1-CG1 3.45Å; F24-V37 HydrophobicContact CG-CG1 4.47Å; F24-V37 HydrophobicContact CZ-CG1 4.04Å; I34-V37 HydrophobicContact CG2-CG2 3.55Å; V37-V39 HydrophobicContact CG1-CG2 3.77Å; V37-T53 WeakPolarHBondContact CA-O 3.49Å; V37-L54 HydrophobicContact CB-CD2 4.16Å; V37-L54 HydrophobicContact CG1-CD2 3.84Å; V37-L54 HydrophobicContact CG2-CD2 3.37Å
38Y98.4Very high93Very high98 Ų9874.9 Ų74.938%0.38436%0.355SS..EExtended strand (participates in β ladder)trans-113.8124.5168.6-62.2-86000108.4N4 Q36 A52 T53 H55N4-Y38 HydrophobicContact CB-CD1 3.79Å; N4-Y38 HydrophobicContact CB-CE1 4.18Å; Q36-Y38 VanDerWaalsContact CD-CE2 3.46Å; Q36-Y38 HydrophobicContact CG-CD2 4.39Å; Q36-Y38 HydrophobicContact CG-CE2 3.74Å; Q36-Y38 PolarHBondContact NE2-OH 3.21Å; Q36-Y38 PolarHBondContact OE1-OH 3.17Å; Y38-A52 CarbonylContact O-C 3.59Å; Y38-A52 WeakPolarHBondContact O-CA 3.25Å; Y38-A52 WeakPolarHBondContact O-CB 3.39Å; Y38-T53 PolarHBondContact N-O 3.07Å; Y38-T53 PolarHBondContact O-N 2.83Å; Y38-H55 AromaticContact CD2-CD2 3.93Å; Y38-H55 AromaticContact CD2-NE2 3.67Å; Y38-H55 AromaticContact CE2-CD2 3.72Å; Y38-H55 AromaticContact CE2-NE2 3.39Å; Y38-H55 WeakPolarHBondContact CE2-NE2 3.22Å
39V98.6Very high93.3Very high1 Ų172.2 Ų72.21%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-117.2128.1176.2-174.90000108.4L3 N4 I5 T6 V20 F24 V37 L41 D51 A52L3-V39 HydrophobicContact CD1-CG2 3.69Å; N4-V39 PolarHBondContact O-N 3.05Å; I5-V39 WeakPolarHBondContact CA-O 3.34Å; I5-V39 HydrophobicContact CG1-CB 4.42Å; T6-V39 PolarHBondContact N-O 3.21Å; V20-V39 HydrophobicContact CG1-CG1 4.35Å; V20-V39 HydrophobicContact CG1-CG2 4.25Å; F24-V39 HydrophobicContact CD2-CG2 4.23Å; F24-V39 HydrophobicContact CE1-CG2 4.29Å; F24-V39 HydrophobicContact CE2-CG2 3.49Å; F24-V39 VanDerWaalsContact CE2-CG2 3.49Å; F24-V39 HydrophobicContact CZ-CG2 3.52Å; V37-V39 HydrophobicContact CG1-CG2 3.77Å; V39-L41 HydrophobicContact CG1-CD2 3.67Å; V39-L41 HydrophobicContact CG1-CG 4.19Å; V39-D51 CarbonylContact C-O 3.53Å; V39-D51 WeakPolarHBondContact CA-O 3.06Å; V39-A52 HydrophobicContact CG2-CB 4.24Å
40V98.6Very high93.7Very high56 Ų5665 Ų6534%0.33931%0.31SS..EExtended strand (participates in β ladder)trans-115.6118.9171.5-1770000107.8T6 S50 D51T6-V40 WeakPolarHBondContact O-CA 3.44Å; V40-S50 WeakPolarHBondContact O-CA 3.46Å; V40-D51 HydrophobicContact CB-CB 4.38Å; V40-D51 PolarHBondContact N-O 3.35Å; V40-D51 PolarHBondContact O-N 3.12Å
41L98.6Very high94.2Very high0 Ų060.8 Ų60.80%030%0.297CS..EExtended strand (participates in β ladder)trans-100.9132.5172.8-56.2-171.9000108.2I5 T6 G7 N8 V10 I12 L16 V20 V39 M70 I74I5-L41 HydrophobicContact CG2-CD1 4.46Å; T6-L41 PolarHBondContact O-N 3.45Å; G7-L41 CarbonylContact C-O 3.56Å; G7-L41 WeakPolarHBondContact CA-O 3.34Å; N8-L41 PolarHBondContact N-O 3.08Å; V10-L41 HydrophobicContact CG1-CB 3.89Å; V10-L41 WeakPolarHBondContact CG1-O 3.49Å; I12-L41 HydrophobicContact CD1-CB 4.23Å; I12-L41 HydrophobicContact CD1-CD1 3.88Å; I12-L41 HydrophobicContact CD1-CG 4.35Å; L16-L41 HydrophobicContact CD1-CD1 4.16Å; L16-L41 HydrophobicContact CD2-CD1 3.77Å; L16-L41 HydrophobicContact CG-CD1 3.96Å; V20-L41 HydrophobicContact CG2-CD1 4.14Å; V39-L41 HydrophobicContact CG1-CD2 3.67Å; V39-L41 HydrophobicContact CG1-CG 4.19Å; L41-M70 HydrophobicContact CB-CE 3.99Å; L41-M70 HydrophobicContact CB-SD 3.83Å; L41-M70 HydrophobicContact CD1-CG 4.2Å; L41-M70 HydrophobicContact CD1-SD 4.12Å; L41-M70 HydrophobicContact CD2-SD 3.89Å; L41-M70 HydrophobicContact CG-SD 4.16Å; L41-I74 HydrophobicContact CD1-CD1 4.09Å; L41-I74 HydrophobicContact CD2-CD1 4.18Å; L41-I74 HydrophobicContact CD2-CG1 3.89Å
42K98.3Very high94.8Very high47 Ų4760 Ų6020%0.20429%0.294CS..EExtended strand (participates in β ladder)trans-136.9138-173.4-170.7-174.4-170.7-157.40111.3N8 E44 T49 M70N8-K42 HydrophobicContact CB-CB 4.35Å; N8-K42 HydrophobicContact CB-CG 4.08Å; N8-K42 WeakPolarHBondContact O-CA 3.25Å; K42-E44 HydrophobicContact CD-CG 4.16Å; K42-E44 WeakPolarHBondContact CE-OE1 3.3Å; K42-E44 HydrophobicContact CG-CG 4.18Å; K42-E44 IonicContact NZ-OE1 3.83Å; K42-E44 PolarHBondContact NZ-OE1 3.12Å; K42-E44 IonicContact NZ-OE2 2.87Å; K42-E44 PolarHBondContact NZ-OE2 3.46Å; K42-T49 PolarHBondContact N-O 2.86Å; K42-T49 PolarHBondContact O-N 3.44Å; K42-M70 WeakPolarHBondContact O-CE 3.24Å
43V97.7Very high96Very high29 Ų2955.4 Ų55.418%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-119.4123.1169.5178.50000109.2N8 N9 V10 T47 M70N8-V43 PolarHBondContact O-N 3.12Å; N8-V43 VanDerWaalsContact O-N 3.15Å; N9-V43 WeakPolarHBondContact CB-O 3.36Å; V10-V43 HydrophobicContact CB-CG2 3.92Å; V10-V43 HydrophobicContact CG2-CG2 4.2Å; V43-T47 WeakPolarHBondContact CA-O 3.37Å; V43-M70 HydrophobicContact CG2-CE 3.67Å
44E94.6Very high96.6Very high95 Ų9548 Ų4844%0.44424%0.243SC..EExtended strand (participates in β ladder)trans-126.4107.4174.1-72-169.5144.100110.1K42 V46 T47K42-E44 HydrophobicContact CD-CG 4.16Å; K42-E44 WeakPolarHBondContact CE-OE1 3.3Å; K42-E44 HydrophobicContact CG-CG 4.18Å; K42-E44 IonicContact NZ-OE1 3.83Å; K42-E44 PolarHBondContact NZ-OE1 3.12Å; K42-E44 IonicContact NZ-OE2 2.87Å; K42-E44 PolarHBondContact NZ-OE2 3.46Å; E44-V46 PolarHBondContact O-N 3.38Å; E44-T47 PolarHBondContact N-O 2.97Å; E44-T47 PolarHBondContact O-N 2.86Å
45K92.6Very high96.9Very high208 Ų20849.9 Ų49.990%0.90425%0.252SS*.THydrogen-bonded Turntrans56.6-101.8-173.5-57.2176.3-179.3175.80111.1
46V93.3Very high96.9Very high127 Ų12746.2 Ų46.277%0.7723%0.233SC*.THydrogen-bonded Turntrans-109.7-2-179.7-62.30000112.4E44E44-V46 PolarHBondContact O-N 3.38Å
47T95.2Very high96.6Very high51 Ų5147.1 Ų47.131%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-94.7126-179.3-56.40000109.6V43 E44 E66V43-T47 WeakPolarHBondContact CA-O 3.37Å; E44-T47 PolarHBondContact N-O 2.97Å; E44-T47 PolarHBondContact O-N 2.86Å; T47-E66 HydrophobicContact CG2-CB 4.36Å; T47-E66 HydrophobicContact CG2-CG 3.98Å
48H98.4Very high96Very high46 Ų4650.5 Ų50.521%0.21327%0.274CS..EExtended strand (participates in β ladder)trans-103.1122.6171.4-68.2-114.1000108.5E66 G67 M70 A73H48-E66 CarbonylContact O-C 3.51Å; H48-E66 WeakPolarHBondContact O-CA 3.43Å; H48-G67 PolarHBondContact O-N 3Å; H48-M70 HydrophobicContact CB-CE 4.22Å; H48-M70 PolarHBondContact ND1-N 3.37Å; H48-A73 HydrophobicContact CB-CB 4.44Å
49T98.4Very high95.7Very high13 Ų1347.5 Ų47.58%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-122.1141.5-178.5-48.20000109.8K42 A65 E66K42-T49 PolarHBondContact N-O 2.86Å; K42-T49 PolarHBondContact O-N 3.44Å; T49-A65 CarbonylContact C-O 3.54Å; T49-A65 WeakPolarHBondContact CA-O 3.33Å; T49-E66 HydrophobicContact CG2-CG 4.2Å
50S98.7Very high95.6Very high0 Ų052.7 Ų52.70%030%0.297CS..EExtended strand (participates in β ladder)trans-128.1126.7170.763.10000109.3V40 S64 A65 A73 I74 L77V40-S50 WeakPolarHBondContact O-CA 3.46Å; S50-S64 CarbonylContact O-C 3.55Å; S50-S64 WeakPolarHBondContact O-CA 3.44Å; S50-A65 PolarHBondContact N-O 2.91Å; S50-A65 PolarHBondContact O-N 2.8Å; S50-A65 PolarHBondContact OG-O 2.99Å; S50-A73 PolarHBondContact OG-O 2.7Å; S50-I74 PolarHBondContact OG-N 2.82Å; S50-L77 VanDerWaalsContact OG-CB 3.31Å; S50-L77 WeakPolarHBondContact OG-CB 3.21Å
51D98.6Very high95.5Very high53 Ų5350.4 Ų50.428%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-118140.3179.3-58.6-82.6000108.5V39 V40 A63 S64V39-D51 CarbonylContact C-O 3.53Å; V39-D51 WeakPolarHBondContact CA-O 3.06Å; V40-D51 HydrophobicContact CB-CB 4.38Å; V40-D51 PolarHBondContact N-O 3.35Å; V40-D51 PolarHBondContact O-N 3.12Å; D51-A63 WeakPolarHBondContact CA-O 3.41Å; D51-S64 WeakPolarHBondContact OD1-CB 3.22Å; D51-S64 PolarHBondContact OD1-OG 2.96Å
52A98.6Very high95.4Very high4 Ų455 Ų553%0.03330%0.304CS..EExtended strand (participates in β ladder)trans-142.8147.2170.400000113.9F24 Y38 V39 H62 A63 L77 L81F24-A52 HydrophobicContact CE1-CB 4.36Å; F24-A52 HydrophobicContact CZ-CB 3.87Å; Y38-A52 CarbonylContact O-C 3.59Å; Y38-A52 WeakPolarHBondContact O-CA 3.25Å; Y38-A52 WeakPolarHBondContact O-CB 3.39Å; V39-A52 HydrophobicContact CG2-CB 4.24Å; A52-H62 WeakPolarHBondContact O-CA 3.45Å; A52-A63 PolarHBondContact N-O 2.94Å; A52-A63 PolarHBondContact O-N 2.85Å; A52-L77 HydrophobicContact CB-CD1 4.12Å; A52-L77 HydrophobicContact CB-CD2 3.79Å; A52-L77 HydrophobicContact CB-CG 4.34Å; A52-L81 HydrophobicContact CB-CD1 4.09Å
53T98.2Very high95.4Very high35 Ų3553.4 Ų53.422%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-117.7120.2171.9-620000108.6V37 Y38 I61 H62V37-T53 WeakPolarHBondContact CA-O 3.49Å; Y38-T53 PolarHBondContact N-O 3.07Å; Y38-T53 PolarHBondContact O-N 2.83Å; T53-I61 WeakPolarHBondContact CA-O 3.29Å; T53-H62 WeakPolarHBondContact CB-ND1 3.18Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.48Å; T53-H62 WeakPolarHBondContact CG2-ND1 3.5Å; T53-H62 PolarHBondContact OG1-CE1 3.26Å; T53-H62 PolarHBondContact OG1-ND1 3.4Å
54L97.1Very high95.5Very high0 Ų054.3 Ų54.30%031%0.307CS..EExtended strand (participates in β ladder)trans-102.2123.8171.9-55.8175.2000109.1F24 L27 I34 V37 V56 E60 I61 L81 L85F24-L54 HydrophobicContact CD1-CD2 4.24Å; F24-L54 HydrophobicContact CE1-CD2 3.86Å; L27-L54 HydrophobicContact CD2-CD1 4.23Å; I34-L54 HydrophobicContact CG2-CD2 4.07Å; V37-L54 HydrophobicContact CB-CD2 4.16Å; V37-L54 HydrophobicContact CG1-CD2 3.84Å; V37-L54 HydrophobicContact CG2-CD2 3.37Å; L54-V56 HydrophobicContact CB-CG1 4.21Å; L54-E60 WeakPolarHBondContact O-CA 3.33Å; L54-I61 HydrophobicContact CB-CB 4.25Å; L54-I61 HydrophobicContact CD1-CB 4.39Å; L54-I61 HydrophobicContact CD1-CG2 4.37Å; L54-I61 PolarHBondContact N-O 2.92Å; L54-I61 PolarHBondContact O-N 2.99Å; L54-L81 HydrophobicContact CD1-CB 4.27Å; L54-L81 HydrophobicContact CD1-CD1 4.25Å; L54-L81 HydrophobicContact CD1-CD2 3.71Å; L54-L81 HydrophobicContact CD1-CG 4.3Å; L54-L81 HydrophobicContact CD2-CD1 4.44Å; L54-L81 HydrophobicContact CG-CD1 4.37Å; L54-L81 HydrophobicContact CG-CD2 3.96Å; L54-L85 HydrophobicContact CD1-CD1 3.69Å; L54-L85 HydrophobicContact CD1-CD2 4.07Å; L54-L85 HydrophobicContact CD1-CG 3.96Å
55H95.8Very high95.7Very high47 Ų4750 Ų5022%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-87.8115.6164.9-63.5-93.4000108.7N35 Q36 Y38 E60N35-H55 PolarHBondContact N-O 3.25Å; Q36-H55 HydrophobicContact CB-CB 4.24Å; Q36-H55 PolarHBondContact O-N 3.5Å; Y38-H55 AromaticContact CD2-CD2 3.93Å; Y38-H55 AromaticContact CD2-NE2 3.67Å; Y38-H55 AromaticContact CE2-CD2 3.72Å; Y38-H55 AromaticContact CE2-NE2 3.39Å; Y38-H55 WeakPolarHBondContact CE2-NE2 3.22Å; H55-E60 IonicContact CE1-OE1 2.62Å; H55-E60 PolarHBondContact CE1-OE1 3.19Å; H55-E60 IonicContact CE1-OE2 2.95Å; H55-E60 IonicContact ND1-OE1 3.01Å; H55-E60 PolarHBondContact ND1-OE1 3.06Å
56V93.3Very high95.9Very high13 Ų1346.7 Ų46.78%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-120.7163.3-178.9-63.90000110.8R33 I34 L54 G58 G59 I61 L85 H88R33-V56 WeakPolarHBondContact O-CA 3.36Å; I34-V56 HydrophobicContact CG1-CG1 4.06Å; L54-V56 HydrophobicContact CB-CG1 4.21Å; V56-G58 PolarHBondContact O-N 3.18Å; V56-G59 CarbonylContact C-O 3.56Å; V56-G59 VanDerWaalsContact CG2-O 3.26Å; V56-G59 WeakPolarHBondContact CG2-O 3.35Å; V56-G59 PolarHBondContact N-O 2.9Å; V56-G59 PolarHBondContact O-N 3.41Å; V56-I61 HydrophobicContact CG1-CD1 4.41Å; V56-I61 HydrophobicContact CG2-CD1 4.05Å; V56-I61 HydrophobicContact CG2-CG1 4.16Å; V56-L85 HydrophobicContact CG1-CD2 3.89Å; V56-H88 WeakPolarHBondContact CG2-NE2 2.96Å
57N88.1Confident96.1Very high66 Ų6641.5 Ų41.535%0.35325%0.248SC..THydrogen-bonded Turntrans-62124.9171.3-72.68.6000109.8R33 N35 H88R33-N57 HydrophobicContact CB-CB 4.02Å; R33-N57 WeakPolarHBondContact CD-ND2 3.4Å; R33-N57 PolarHBondContact O-N 3.34Å; N35-N57 PolarHBondContact ND2-OD1 3.18Å; N35-N57 VanDerWaalsContact ND2-OD1 3.12Å; N57-H88 PolarHBondContact O-NE2 2.86Å
58G85.8Confident96.1Very high72 Ų7248.1 Ų48.174%0.74228%0.275SS*.THydrogen-bonded Turntrans887.4-179.900000115.3V56V56-G58 PolarHBondContact O-N 3.18Å
59G91.9Very high96.1Very high35 Ų3549.6 Ų49.636%0.36129%0.285SS..EExtended strand (participates in β ladder)trans156.5-161.516900000115V56V56-G59 CarbonylContact C-O 3.56Å; V56-G59 VanDerWaalsContact CG2-O 3.26Å; V56-G59 WeakPolarHBondContact CG2-O 3.35Å; V56-G59 PolarHBondContact N-O 2.9Å; V56-G59 PolarHBondContact O-N 3.41Å
60E95.5Very high96Very high109 Ų10949.6 Ų49.651%0.50928%0.284SS..EExtended strand (participates in β ladder)trans-120.4144.8176.2-65.1179.9-171.100109.7L54 H55 H62L54-E60 WeakPolarHBondContact O-CA 3.33Å; H55-E60 IonicContact CE1-OE1 2.62Å; H55-E60 PolarHBondContact CE1-OE1 3.19Å; H55-E60 IonicContact CE1-OE2 2.95Å; H55-E60 IonicContact ND1-OE1 3.01Å; H55-E60 PolarHBondContact ND1-OE1 3.06Å; E60-H62 IonicContact OE2-CE1 3.53Å; E60-H62 IonicContact OE2-NE2 3.54Å
61I96.5Very high96Very high9 Ų954.2 Ų54.25%0.04630%0.302CS..EExtended strand (participates in β ladder)trans-121.2125.1176-64.5173.3000107.7T53 L54 V56 L81 Q84 L85 H88T53-I61 WeakPolarHBondContact CA-O 3.29Å; L54-I61 HydrophobicContact CB-CB 4.25Å; L54-I61 HydrophobicContact CD1-CB 4.39Å; L54-I61 HydrophobicContact CD1-CG2 4.37Å; L54-I61 PolarHBondContact N-O 2.92Å; L54-I61 PolarHBondContact O-N 2.99Å; V56-I61 HydrophobicContact CG1-CD1 4.41Å; V56-I61 HydrophobicContact CG2-CD1 4.05Å; V56-I61 HydrophobicContact CG2-CG1 4.16Å; I61-L81 HydrophobicContact CG2-CD2 3.97Å; I61-Q84 HydrophobicContact CG2-CB 3.58Å; I61-Q84 HydrophobicContact CG2-CG 4.33Å; I61-L85 HydrophobicContact CD1-CD2 3.54Å; I61-L85 HydrophobicContact CD1-CG 3.89Å; I61-H88 HydrophobicContact CD1-CB 3.92Å
62H97.8Very high95.9Very high97 Ų9753.7 Ų53.745%0.44931%0.305SS..EExtended strand (participates in β ladder)trans-116.9138.7178-52.1-84000110.3A52 T53 E60 Q84A52-H62 WeakPolarHBondContact O-CA 3.45Å; T53-H62 WeakPolarHBondContact CB-ND1 3.18Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.48Å; T53-H62 WeakPolarHBondContact CG2-ND1 3.5Å; T53-H62 PolarHBondContact OG1-CE1 3.26Å; T53-H62 PolarHBondContact OG1-ND1 3.4Å; E60-H62 IonicContact OE2-CE1 3.53Å; E60-H62 IonicContact OE2-NE2 3.54Å; H62-Q84 PolarHBondContact O-NE2 2.9Å; H62-Q84 PolarHBondContact O-OE1 2.85Å
63A98.4Very high95.9Very high12 Ų1253.5 Ų53.510%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-142.8153.8170.200000110.6D51 A52 L77 K80 L81D51-A63 WeakPolarHBondContact CA-O 3.41Å; A52-A63 PolarHBondContact N-O 2.94Å; A52-A63 PolarHBondContact O-N 2.85Å; A63-L77 VanDerWaalsContact C-CD1 3.48Å; A63-L77 HydrophobicContact CB-CD1 3.6Å; A63-L77 WeakPolarHBondContact O-CD1 3.32Å; A63-K80 HydrophobicContact CB-CB 3.97Å; A63-L81 HydrophobicContact CB-CD2 3.49Å; A63-L81 VanDerWaalsContact CB-CD2 3.49Å; A63-L81 HydrophobicContact CB-CG 3.83Å
64S98.5Very high96Very high48 Ų4851.9 Ų51.934%0.33629%0.294SS..EExtended strand (participates in β ladder)trans-135.2142.6173.5-1760000108.8S50 D51 K80S50-S64 CarbonylContact O-C 3.55Å; S50-S64 WeakPolarHBondContact O-CA 3.44Å; D51-S64 WeakPolarHBondContact OD1-CB 3.22Å; D51-S64 PolarHBondContact OD1-OG 2.96Å; S64-K80 WeakPolarHBondContact O-CD 3.37Å; S64-K80 WeakPolarHBondContact O-CE 3.38Å; S64-K80 PolarHBondContact O-NZ 2.91Å
65A98.6Very high96Very high4 Ų454.8 Ų54.83%0.03331%0.309CS..EExtended strand (participates in β ladder)trans-143.9143.117300000111.4T49 S50 A73 G76 L77 K80T49-A65 CarbonylContact C-O 3.54Å; T49-A65 WeakPolarHBondContact CA-O 3.33Å; S50-A65 PolarHBondContact N-O 2.91Å; S50-A65 PolarHBondContact O-N 2.8Å; S50-A65 PolarHBondContact OG-O 2.99Å; A65-A73 WeakPolarHBondContact CB-O 3.13Å; A65-G76 VanDerWaalsContact CB-C 3.46Å; A65-L77 HydrophobicContact CB-CB 3.97Å; A65-L77 VanDerWaalsContact CB-N 3.25Å; A65-K80 HydrophobicContact CB-CD 4.33Å
66E98.2Very high96.1Very high139 Ų13953.7 Ų53.765%0.6531%0.311SS*.EExtended strand (participates in β ladder)trans-104.6150.2172.2-64.8177.4-166.300109.7T47 H48 T49T47-E66 HydrophobicContact CG2-CB 4.36Å; T47-E66 HydrophobicContact CG2-CG 3.98Å; H48-E66 CarbonylContact O-C 3.51Å; H48-E66 WeakPolarHBondContact O-CA 3.43Å; T49-E66 HydrophobicContact CG2-CG 4.2Å
67G97.2Very high96.4Very high19 Ų1953.1 Ų53.120%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-144165.4178.100000112.2H48 D69H48-G67 PolarHBondContact O-N 3Å; G67-D69 PolarHBondContact O-N 3.49Å
68Q95.3Very high96.9Very high190 Ų19051 Ų5189%0.88830%0.295SS*.SBendtrans-66.7-25.7172.9-67.6-177.2-20.300112.2
69D96.8Very high97.5Very high77 Ų7752.2 Ų52.241%0.41229%0.285SS..SBendtrans-141176168.563.745.9000109.4G67 Y71 A72 A73G67-D69 PolarHBondContact O-N 3.49Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.43Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.35Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.31Å; D69-Y71 PolarHBondContact OD1-N 3.41Å; D69-A72 PolarHBondContact O-N 2.84Å; D69-A72 WeakPolarHBondContact OD1-CB 3.44Å; D69-A72 PolarHBondContact OD1-N 3.01Å; D69-A73 PolarHBondContact O-N 2.96Å
70M97.7Very high97.8Very high12 Ų1255.3 Ų55.36%0.05929%0.288CS..Hα-helixtrans-66-32.4-177.5-17154.768.500112.9V10 L16 L41 K42 V43 H48 A73 I74V10-M70 HydrophobicContact CG1-CE 4.39Å; V10-M70 HydrophobicContact CG2-CE 4.38Å; L16-M70 HydrophobicContact CD1-CG 4.01Å; L16-M70 HydrophobicContact CD2-CG 4.3Å; L41-M70 HydrophobicContact CB-CE 3.99Å; L41-M70 HydrophobicContact CB-SD 3.83Å; L41-M70 HydrophobicContact CD1-CG 4.2Å; L41-M70 HydrophobicContact CD1-SD 4.12Å; L41-M70 HydrophobicContact CD2-SD 3.89Å; L41-M70 HydrophobicContact CG-SD 4.16Å; K42-M70 WeakPolarHBondContact O-CE 3.24Å; V43-M70 HydrophobicContact CG2-CE 3.67Å; H48-M70 HydrophobicContact CB-CE 4.22Å; H48-M70 PolarHBondContact ND1-N 3.37Å; M70-A73 PolarHBondContact O-N 3.29Å; M70-I74 HydrophobicContact CG-CD1 3.99Å; M70-I74 WeakPolarHBondContact O-CD1 3.43Å; M70-I74 VanDerWaalsContact O-CG1 3.24Å; M70-I74 WeakPolarHBondContact O-CG1 3.35Å; M70-I74 PolarHBondContact O-N 2.69Å; M70-I74 HydrophobicContact SD-CD1 4.48Å
71Y97.7Very high97.9Very high98 Ų9850.1 Ų50.138%0.38426%0.264SS..Hα-helixtrans-70.5-43.2-179.4-69.8-92.5000110.8F19 D69 A73 I74 D75F19-Y71 HydrophobicContact CB-CD1 4.42Å; F19-Y71 HydrophobicContact CB-CE1 3.92Å; F19-Y71 AromaticContact CD1-CD1 3.52Å; F19-Y71 HydrophobicContact CD1-CD1 3.52Å; F19-Y71 AromaticContact CD1-CE1 3.88Å; F19-Y71 HydrophobicContact CD1-CE1 3.88Å; F19-Y71 AromaticContact CD2-CD1 3.82Å; F19-Y71 HydrophobicContact CD2-CD1 3.82Å; F19-Y71 AromaticContact CD2-CE1 3.94Å; F19-Y71 HydrophobicContact CD2-CE1 3.94Å; F19-Y71 AromaticContact CE1-CD1 3.54Å; F19-Y71 HydrophobicContact CE1-CD1 3.54Å; F19-Y71 HydrophobicContact CE1-CE1 4.35Å; F19-Y71 HydrophobicContact CE1-CG 4.33Å; F19-Y71 AromaticContact CE2-CD1 3.83Å; F19-Y71 HydrophobicContact CE2-CD1 3.83Å; F19-Y71 HydrophobicContact CE2-CE1 4.39Å; F19-Y71 AromaticContact CG-CD1 3.65Å; F19-Y71 HydrophobicContact CG-CD1 3.65Å; F19-Y71 AromaticContact CG-CE1 3.64Å; F19-Y71 HydrophobicContact CG-CE1 3.64Å; F19-Y71 AromaticContact CZ-CD1 3.67Å; F19-Y71 HydrophobicContact CZ-CD1 3.67Å; F19-Y71 HydrophobicContact CZ-CG 4.5Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.43Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.35Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.31Å; D69-Y71 PolarHBondContact OD1-N 3.41Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.84Å; Y71-I74 PolarHBondContact O-N 3.45Å; Y71-D75 PolarHBondContact O-N 2.92Å
72A98Very high97.9Very high42 Ų4251 Ų5135%0.34727%0.272SS..Hα-helixtrans-62.8-39173.900000112.1D69 D75 G76D69-A72 PolarHBondContact O-N 2.84Å; D69-A72 WeakPolarHBondContact OD1-CB 3.44Å; D69-A72 PolarHBondContact OD1-N 3.01Å; A72-D75 PolarHBondContact O-N 3.38Å; A72-G76 PolarHBondContact O-N 3.43Å
73A98.5Very high97.8Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-60.8-49.2174.800000110.8H48 S50 A65 D69 M70 Y71 D75 G76 L77H48-A73 HydrophobicContact CB-CB 4.44Å; S50-A73 PolarHBondContact OG-O 2.7Å; A65-A73 WeakPolarHBondContact CB-O 3.13Å; D69-A73 PolarHBondContact O-N 2.96Å; M70-A73 PolarHBondContact O-N 3.29Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.84Å; A73-D75 PolarHBondContact O-N 2.9Å; A73-G76 PolarHBondContact O-N 2.87Å; A73-L77 PolarHBondContact O-N 2.98Å
74I98.5Very high97.7Very high1 Ų157.7 Ų57.71%0.00530%0.295CS..Hα-helixtrans-60.5-43.4178.1-68.5159.9000111.2L16 F19 V20 K23 L41 S50 M70 Y71 G76 L77 I78L16-I74 HydrophobicContact CD1-CD1 3.68Å; F19-I74 HydrophobicContact CD1-CD1 4.05Å; F19-I74 HydrophobicContact CD1-CG2 4.09Å; F19-I74 HydrophobicContact CE1-CB 4.01Å; F19-I74 HydrophobicContact CE1-CD1 4.27Å; F19-I74 HydrophobicContact CE1-CG2 3.73Å; V20-I74 HydrophobicContact CG2-CD1 3.59Å; V20-I74 HydrophobicContact CG2-CG1 4.31Å; K23-I74 HydrophobicContact CG-CG2 4.42Å; L41-I74 HydrophobicContact CD1-CD1 4.09Å; L41-I74 HydrophobicContact CD2-CD1 4.18Å; L41-I74 HydrophobicContact CD2-CG1 3.89Å; S50-I74 PolarHBondContact OG-N 2.82Å; M70-I74 HydrophobicContact CG-CD1 3.99Å; M70-I74 WeakPolarHBondContact O-CD1 3.43Å; M70-I74 VanDerWaalsContact O-CG1 3.24Å; M70-I74 WeakPolarHBondContact O-CG1 3.35Å; M70-I74 PolarHBondContact O-N 2.69Å; M70-I74 HydrophobicContact SD-CD1 4.48Å; Y71-I74 PolarHBondContact O-N 3.45Å; I74-G76 PolarHBondContact O-N 2.86Å; I74-L77 WeakPolarHBondContact O-CB 3.36Å; I74-L77 PolarHBondContact O-N 2.79Å; I74-I78 HydrophobicContact CG2-CG1 4.38Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 2.9Å
75D98.4Very high97.5Very high61 Ų6155.8 Ų55.833%0.32628%0.28SS..Hα-helixtrans-61.8-45177-82.6-18.4000112K23 Y71 A72 A73 L77 I78 D79K23-D75 WeakPolarHBondContact CE-OD1 3.46Å; K23-D75 IonicContact NZ-OD1 2.6Å; K23-D75 PolarHBondContact NZ-OD1 3.34Å; K23-D75 IonicContact NZ-OD2 3.55Å; Y71-D75 PolarHBondContact O-N 2.92Å; A72-D75 PolarHBondContact O-N 3.38Å; A73-D75 PolarHBondContact O-N 2.9Å; D75-L77 VanDerWaalsContact C-N 3.26Å; D75-L77 PolarHBondContact O-N 3.07Å; D75-I78 PolarHBondContact O-N 3.49Å; D75-D79 PolarHBondContact O-N 3.43Å
76G98.5Very high97.3Very high24 Ų2458.6 Ų58.625%0.24730%0.298CS..Hα-helixtrans-61.2-34.7174.400000113.2A65 A72 A73 I74 K80A65-G76 VanDerWaalsContact CB-C 3.46Å; A72-G76 PolarHBondContact O-N 3.43Å; A73-G76 PolarHBondContact O-N 2.87Å; I74-G76 PolarHBondContact O-N 2.86Å; G76-K80 WeakPolarHBondContact O-CG 3.46Å; G76-K80 PolarHBondContact O-N 2.81Å
77L98.6Very high97.1Very high0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-66.6-47.3175.8171.766.5000111.1F24 S50 A52 A63 A65 A73 I74 D75 D79 K80 L81F24-L77 HydrophobicContact CZ-CD2 4.38Å; S50-L77 VanDerWaalsContact OG-CB 3.31Å; S50-L77 WeakPolarHBondContact OG-CB 3.21Å; A52-L77 HydrophobicContact CB-CD1 4.12Å; A52-L77 HydrophobicContact CB-CD2 3.79Å; A52-L77 HydrophobicContact CB-CG 4.34Å; A63-L77 VanDerWaalsContact C-CD1 3.48Å; A63-L77 HydrophobicContact CB-CD1 3.6Å; A63-L77 WeakPolarHBondContact O-CD1 3.32Å; A65-L77 HydrophobicContact CB-CB 3.97Å; A65-L77 VanDerWaalsContact CB-N 3.25Å; A73-L77 PolarHBondContact O-N 2.98Å; I74-L77 WeakPolarHBondContact O-CB 3.36Å; I74-L77 PolarHBondContact O-N 2.79Å; D75-L77 VanDerWaalsContact C-N 3.26Å; D75-L77 PolarHBondContact O-N 3.07Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.4Å; L77-K80 PolarHBondContact O-N 3.4Å; L77-L81 HydrophobicContact CD1-CD1 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.21Å; L77-L81 HydrophobicContact CG-CD1 4.09Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.48Å
78I98.2Very high96.9Very high21 Ų2160.7 Ų60.711%0.10830%0.3CS..Hα-helixtrans-60.1-43179.4-66.3-72.9000110.9K23 F24 I74 D75 K80 L81 A82K23-I78 HydrophobicContact CB-CD1 3.78Å; K23-I78 HydrophobicContact CB-CG1 3.89Å; F24-I78 HydrophobicContact CD1-CD1 4.41Å; F24-I78 HydrophobicContact CD2-CD1 3.92Å; F24-I78 HydrophobicContact CE1-CD1 4.36Å; F24-I78 HydrophobicContact CE2-CD1 3.86Å; F24-I78 HydrophobicContact CG-CD1 4.2Å; F24-I78 HydrophobicContact CZ-CD1 4.09Å; I74-I78 HydrophobicContact CG2-CG1 4.38Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 2.9Å; D75-I78 PolarHBondContact O-N 3.49Å; I78-K80 PolarHBondContact O-N 3.41Å; I78-L81 PolarHBondContact O-N 3.31Å; I78-A82 WeakPolarHBondContact O-CB 3.02Å; I78-A82 PolarHBondContact O-N 3.03Å
79D97.9Very high96.6Very high99 Ų9955.5 Ų55.553%0.52927%0.274SS..Hα-helixtrans-61.2-42.9176.1-79.6-6000112.3D75 L77 R83D75-D79 PolarHBondContact O-N 3.43Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 3.4Å; D79-R83 WeakPolarHBondContact O-CG 3.48Å; D79-R83 PolarHBondContact O-N 2.82Å
80K98.4Very high96.4Very high99 Ų9955.5 Ų55.543%0.4327%0.274SS..Hα-helixtrans-65.1-43.2176.7-73.8179.1-171.8-175.80111.6A63 S64 A65 G76 L77 I78 R83 Q84A63-K80 HydrophobicContact CB-CB 3.97Å; S64-K80 WeakPolarHBondContact O-CD 3.37Å; S64-K80 WeakPolarHBondContact O-CE 3.38Å; S64-K80 PolarHBondContact O-NZ 2.91Å; A65-K80 HydrophobicContact CB-CD 4.33Å; G76-K80 WeakPolarHBondContact O-CG 3.46Å; G76-K80 PolarHBondContact O-N 2.81Å; L77-K80 PolarHBondContact O-N 3.4Å; I78-K80 PolarHBondContact O-N 3.41Å; K80-R83 PolarHBondContact O-N 2.95Å; K80-Q84 WeakPolarHBondContact O-CG 3.46Å; K80-Q84 PolarHBondContact O-N 3.24Å
81L97.6Very high95.9Very high0 Ų061.6 Ų61.60%030%0.3CS..Hα-helixtrans-63.7-45.8177.5-71.6174.8000111.7F24 L27 A52 L54 I61 A63 L77 I78 R83 Q84 L85F24-L81 HydrophobicContact CE1-CD1 3.65Å; F24-L81 HydrophobicContact CZ-CD1 3.84Å; L27-L81 HydrophobicContact CD2-CB 3.94Å; L27-L81 HydrophobicContact CD2-CD1 4.13Å; A52-L81 HydrophobicContact CB-CD1 4.09Å; L54-L81 HydrophobicContact CD1-CB 4.27Å; L54-L81 HydrophobicContact CD1-CD1 4.25Å; L54-L81 HydrophobicContact CD1-CD2 3.71Å; L54-L81 HydrophobicContact CD1-CG 4.3Å; L54-L81 HydrophobicContact CD2-CD1 4.44Å; L54-L81 HydrophobicContact CG-CD1 4.37Å; L54-L81 HydrophobicContact CG-CD2 3.96Å; I61-L81 HydrophobicContact CG2-CD2 3.97Å; A63-L81 HydrophobicContact CB-CD2 3.49Å; A63-L81 VanDerWaalsContact CB-CD2 3.49Å; A63-L81 HydrophobicContact CB-CG 3.83Å; L77-L81 HydrophobicContact CD1-CD1 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.21Å; L77-L81 HydrophobicContact CG-CD1 4.09Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.48Å; I78-L81 PolarHBondContact O-N 3.31Å; L81-R83 VanDerWaalsContact C-N 3.31Å; L81-R83 PolarHBondContact O-N 3.26Å; L81-Q84 PolarHBondContact O-N 3.49Å; L81-Q84 VanDerWaalsContact O-N 3.12Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.8Å
82A96.6Very high95.4Very high27 Ų2760.4 Ų60.422%0.22330%0.3CS..Hα-helixtrans-56.9-44.5178.300000111.7L27 F31 I78 Q84 L85 T86L27-A82 HydrophobicContact CD1-CB 3.86Å; F31-A82 HydrophobicContact CE2-CB 4.2Å; F31-A82 WeakPolarHBondContact CZ-O 3.26Å; I78-A82 WeakPolarHBondContact O-CB 3.02Å; I78-A82 PolarHBondContact O-N 3.03Å; A82-Q84 PolarHBondContact O-N 3.16Å; A82-L85 PolarHBondContact O-N 2.95Å; A82-T86 PolarHBondContact O-N 3.49Å; A82-T86 PolarHBondContact O-OG1 3.43Å; A82-T86 VanDerWaalsContact O-OG1 3.08Å
83R96.7Very high94.8Very high175 Ų17565.4 Ų65.466%0.6631%0.314SS*.Hα-helixtrans-61.6-41.4176-69.4173-172.6-173.74.1112.7D79 K80 L81 K87D79-R83 WeakPolarHBondContact O-CG 3.48Å; D79-R83 PolarHBondContact O-N 2.82Å; K80-R83 PolarHBondContact O-N 2.95Å; L81-R83 VanDerWaalsContact C-N 3.31Å; L81-R83 PolarHBondContact O-N 3.26Å; R83-K87 WeakPolarHBondContact O-CG 3.41Å; R83-K87 PolarHBondContact O-N 3.34Å
84Q96.4Very high94Very high76 Ų7673.1 Ų73.136%0.35535%0.35SS..Hα-helixtrans-69.9-40.6178.4-71.1-169.866.700111.9I61 H62 K80 L81 A82 T86 K87 H88I61-Q84 HydrophobicContact CG2-CB 3.58Å; I61-Q84 HydrophobicContact CG2-CG 4.33Å; H62-Q84 PolarHBondContact O-NE2 2.9Å; H62-Q84 PolarHBondContact O-OE1 2.85Å; K80-Q84 WeakPolarHBondContact O-CG 3.46Å; K80-Q84 PolarHBondContact O-N 3.24Å; L81-Q84 PolarHBondContact O-N 3.49Å; L81-Q84 VanDerWaalsContact O-N 3.12Å; A82-Q84 PolarHBondContact O-N 3.16Å; Q84-T86 PolarHBondContact O-N 2.92Å; Q84-K87 PolarHBondContact O-N 2.94Å; Q84-H88 WeakPolarHBondContact O-CB 3.4Å; Q84-H88 PolarHBondContact O-N 2.6Å
85L94.8Very high92.1Very high7 Ų783.2 Ų83.24%0.03740%0.397CS..Hα-helixtrans-63.2-39.3175.9-77.7163.9000112.3L27 F31 I34 L54 V56 I61 L81 A82 H88 K89L27-L85 HydrophobicContact CD1-CD1 3.79Å; L27-L85 HydrophobicContact CD2-CD1 3.66Å; L27-L85 HydrophobicContact CG-CD1 3.63Å; F31-L85 HydrophobicContact CB-CB 4.43Å; F31-L85 HydrophobicContact CB-CD1 4.18Å; F31-L85 HydrophobicContact CB-CD2 4.25Å; F31-L85 HydrophobicContact CD1-CB 3.51Å; F31-L85 HydrophobicContact CD1-CG 4.48Å; F31-L85 HydrophobicContact CD2-CB 3.86Å; F31-L85 HydrophobicContact CD2-CD1 3.59Å; F31-L85 HydrophobicContact CD2-CG 4.31Å; F31-L85 HydrophobicContact CE1-CB 3.53Å; F31-L85 HydrophobicContact CE2-CB 3.89Å; F31-L85 HydrophobicContact CE2-CD1 4.06Å; F31-L85 HydrophobicContact CG-CB 3.67Å; F31-L85 HydrophobicContact CG-CD1 3.88Å; F31-L85 HydrophobicContact CG-CD2 4.38Å; F31-L85 HydrophobicContact CG-CG 4.21Å; F31-L85 HydrophobicContact CZ-CB 3.72Å; I34-L85 HydrophobicContact CD1-CD1 4Å; I34-L85 HydrophobicContact CD1-CD2 4.31Å; I34-L85 HydrophobicContact CG1-CD2 4.38Å; L54-L85 HydrophobicContact CD1-CD1 3.69Å; L54-L85 HydrophobicContact CD1-CD2 4.07Å; L54-L85 HydrophobicContact CD1-CG 3.96Å; V56-L85 HydrophobicContact CG1-CD2 3.89Å; I61-L85 HydrophobicContact CD1-CD2 3.54Å; I61-L85 HydrophobicContact CD1-CG 3.89Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.8Å; A82-L85 PolarHBondContact O-N 2.95Å; L85-H88 PolarHBondContact O-N 3.27Å; L85-K89 VanDerWaalsContact O-CB 3.31Å; L85-K89 WeakPolarHBondContact O-CB 3.33Å; L85-K89 PolarHBondContact O-N 2.83Å
86T94.1Very high91.8Very high64 Ų6484.4 Ų84.439%0.39340%0.401SS..Hα-helixtrans-58.7-50.5172.5-59.40000111F31 A82 Q84 H88 K89 D90F31-T86 WeakPolarHBondContact CZ-OG1 3.47Å; A82-T86 PolarHBondContact O-N 3.49Å; A82-T86 PolarHBondContact O-OG1 3.43Å; A82-T86 VanDerWaalsContact O-OG1 3.08Å; Q84-T86 PolarHBondContact O-N 2.92Å; T86-H88 VanDerWaalsContact C-N 3.31Å; T86-H88 PolarHBondContact O-N 2.85Å; T86-K89 PolarHBondContact O-N 2.86Å; T86-D90 VanDerWaalsContact O-CG 3.28Å; T86-D90 PolarHBondContact O-N 2.91Å
87K93.4Very high91.5Very high159 Ų15987.5 Ų87.569%0.69141%0.409SS*.Hα-helixtrans-59.1-41.5177.5-70.4178.1179.1-176.40112.4R83 Q84 D90 K91R83-K87 WeakPolarHBondContact O-CG 3.41Å; R83-K87 PolarHBondContact O-N 3.34Å; Q84-K87 PolarHBondContact O-N 2.94Å; K87-D90 PolarHBondContact O-N 2.83Å; K87-K91 WeakPolarHBondContact O-CB 3.21Å; K87-K91 PolarHBondContact O-N 3.47Å; K87-K91 VanDerWaalsContact O-N 3.07Å
88H92.2Very high91.1Very high42 Ų4292.4 Ų92.419%0.19443%0.431CS..Hα-helixtrans-64.5-46178.1-17370.6000111.9V56 N57 I61 Q84 L85 T86 D90 K91 L92V56-H88 WeakPolarHBondContact CG2-NE2 2.96Å; N57-H88 PolarHBondContact O-NE2 2.86Å; I61-H88 HydrophobicContact CD1-CB 3.92Å; Q84-H88 WeakPolarHBondContact O-CB 3.4Å; Q84-H88 PolarHBondContact O-N 2.6Å; L85-H88 PolarHBondContact O-N 3.27Å; T86-H88 VanDerWaalsContact C-N 3.31Å; T86-H88 PolarHBondContact O-N 2.85Å; H88-D90 VanDerWaalsContact C-N 3.33Å; H88-D90 PolarHBondContact O-N 3.16Å; H88-K91 PolarHBondContact O-N 2.62Å; H88-L92 WeakPolarHBondContact O-CG 3.5Å; H88-L92 PolarHBondContact O-N 3.2Å
89K89.8Confident90.6Very high81 Ų8196.6 Ų96.635%0.35245%0.45SS..Hα-helixtrans-60.4-41.9176.7-175.6176-176172.40111.8Y30 F31 L85 T86 L92 K93Y30-K89 PolarHBondContact O-NZ 3.17Å; F31-K89 HydrophobicContact CD1-CD 4.32Å; L85-K89 VanDerWaalsContact O-CB 3.31Å; L85-K89 WeakPolarHBondContact O-CB 3.33Å; L85-K89 PolarHBondContact O-N 2.83Å; T86-K89 PolarHBondContact O-N 2.86Å; K89-L92 PolarHBondContact O-N 2.87Å; K89-K93 WeakPolarHBondContact O-CG 3.4Å; K89-K93 PolarHBondContact O-N 2.78Å
90D91.5Very high90.2Very high78 Ų7896.4 Ų96.442%0.41745%0.445SS..Hα-helixtrans-66.3-40.1178.1-67.4-22.1000111.5T86 K87 H88 L92 K93 Q94T86-D90 VanDerWaalsContact O-CG 3.28Å; T86-D90 PolarHBondContact O-N 2.91Å; K87-D90 PolarHBondContact O-N 2.83Å; H88-D90 VanDerWaalsContact C-N 3.33Å; H88-D90 PolarHBondContact O-N 3.16Å; D90-L92 PolarHBondContact O-N 2.93Å; D90-K93 PolarHBondContact O-N 2.93Å; D90-Q94 WeakPolarHBondContact O-CG 3.4Å; D90-Q94 PolarHBondContact O-N 3.15Å
91K88.9Confident89.6Confident139 Ų13996.3 Ų96.360%0.60445%0.446SS*.Hα-helixtrans-64.1-40177-161.4-179.6-176.9-176.70112.6K87 H88 K93 Q94K87-K91 WeakPolarHBondContact O-CB 3.21Å; K87-K91 PolarHBondContact O-N 3.47Å; K87-K91 VanDerWaalsContact O-N 3.07Å; H88-K91 PolarHBondContact O-N 2.62Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 2.97Å; K91-Q94 PolarHBondContact O-N 2.87Å
92L86.9Confident89.1Confident73 Ų73103.1 Ų103.138%0.38248%0.478SS..Hα-helixtrans-69.4-24.1177-71.7177.4000113.7H88 K89 D90 Q94H88-L92 WeakPolarHBondContact O-CG 3.5Å; H88-L92 PolarHBondContact O-N 3.2Å; K89-L92 PolarHBondContact O-N 2.87Å; D90-L92 PolarHBondContact O-N 2.93Å; L92-Q94 VanDerWaalsContact C-N 3.35Å
93K85.5Confident88.5Confident148 Ų148109 Ų10964%0.64350%0.498SS*.Hα-helixtrans-79.5-17.6175.6-74.5178.9176.6-175.40113.4K89 D90 K91 H95K89-K93 WeakPolarHBondContact O-CG 3.4Å; K89-K93 PolarHBondContact O-N 2.78Å; D90-K93 PolarHBondContact O-N 2.93Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 2.97Å; K93-H95 VanDerWaalsContact C-N 3.31Å
94Q80.4Confident87.8Confident162 Ų162103.5 Ų103.576%0.75748%0.484SS*.THydrogen-bonded Turntrans-86.5-1.6-179.8-70.2178.8-1.300113.3D90 K91 L92D90-Q94 WeakPolarHBondContact O-CG 3.4Å; D90-Q94 PolarHBondContact O-N 3.15Å; K91-Q94 PolarHBondContact O-N 2.87Å; L92-Q94 VanDerWaalsContact C-N 3.35Å
95H59.6Low87Confident213 Ų213106 Ų10699%0.98650%0.496SS*.  trans-114.20177.8-80.3-125.6000109.8K93K93-H95 VanDerWaalsContact C-N 3.31Å

Retrieved 95 of 95 residues in 30.5 ms (Link to these results)

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