A0A060WIJ5_ONCMY Loading...

DnaJ homolog subfamily A member 1

AlphaFold DB , UniProt , Accession A0A060WIJ5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497505, Length 398 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
1M57.3Low80.9Confident243 Ų24369.9 Ų69.9100%1.19737%0.366SS*.  01340-77.8178.9173.100107.4
2V73.9Confident81.4Confident40 Ų4069.8 Ų69.824%0.24240%0.395CS..  trans-79.4135.8-179.1177.70000108.9E4 Y8 P15 D65V2-E4 WeakPolarHBondContact CG1-O 3.33Å; V2-Y8 HydrophobicContact CG1-CD2 4.45Å; V2-Y8 HydrophobicContact CG1-CE2 3.92Å; V2-P15 HydrophobicContact CB-CB 4.44Å; V2-P15 HydrophobicContact CG2-CB 3.82Å; V2-D65 HydrophobicContact CG1-CB 4.4Å; V2-D65 HydrophobicContact CG2-CB 4.2Å
3K74.6Confident82.1Confident140 Ų14066.3 Ų66.361%0.60938%0.376SS*.SBendtrans-72.8-35.4-176.5-169.7177.2175.2-171.30113.6D65 R66 G67K3-D65 PolarHBondContact N-O 3.37Å; K3-R66 WeakPolarHBondContact CD-O 3.26Å; K3-G67 PolarHBondContact NZ-O 3.04Å
4E80Confident82.6Confident73 Ų7373.9 Ų73.934%0.34140%0.403SS..  trans-140.1136.2178.3-70.8178.4179.600110.6V2 Y64 G68 E69V2-E4 WeakPolarHBondContact CG1-O 3.33Å; E4-Y64 WeakPolarHBondContact O-CE1 3.21Å; E4-Y64 PolarHBondContact O-OH 3.13Å; E4-G68 VanDerWaalsContact OE2-CA 3.3Å; E4-G68 WeakPolarHBondContact OE2-CA 3.39Å; E4-E69 PolarHBondContact OE2-N 3.18Å
5T83.2Confident82.8Confident62 Ų6271.8 Ų71.838%0.3839%0.394SS..  trans-98.7-0.4-178.956.50000114.3F7 Y8 D9 P15T5-F7 PolarHBondContact O-N 3.45Å; T5-Y8 WeakPolarHBondContact O-CA 3.45Å; T5-Y8 WeakPolarHBondContact O-CB 3.09Å; T5-Y8 PolarHBondContact O-N 2.86Å; T5-D9 VanDerWaalsContact CB-OD2 3.26Å; T5-D9 WeakPolarHBondContact CB-OD2 3.32Å; T5-D9 VanDerWaalsContact O-CG 3.28Å; T5-D9 PolarHBondContact O-N 3.02Å; T5-D9 PolarHBondContact OG1-OD2 3.18Å; T5-P15 HydrophobicContact CG2-CG 4.09Å
6G84.5Confident82.9Confident33 Ų3376.8 Ų76.834%0.3442%0.42SS..Hα-helixtrans-53.5-43.2-169.300000115.4D9 M10 Y64G6-D9 PolarHBondContact O-N 2.68Å; G6-M10 WeakPolarHBondContact O-CB 3.46Å; G6-M10 WeakPolarHBondContact O-CG 3.41Å; G6-M10 PolarHBondContact O-N 2.89Å; G6-Y64 PolarHBondContact N-OH 3.28Å
7F86.8Confident83.1Confident3 Ų372.6 Ų72.61%0.01340%0.398CS..Hα-helixtrans-70.7-31.8177.1-68.8-31.7000113.3T5 M10 L11 A51 V54 L55 Y64 E69T5-F7 PolarHBondContact O-N 3.45Å; F7-M10 HydrophobicContact CD1-CE 3.43Å; F7-M10 VanDerWaalsContact CD1-CE 3.43Å; F7-M10 HydrophobicContact CE1-CE 3.78Å; F7-L11 PolarHBondContact O-N 3.43Å; F7-A51 HydrophobicContact CB-CB 3.91Å; F7-A51 HydrophobicContact CD1-CB 3.66Å; F7-A51 HydrophobicContact CG-CB 4.03Å; F7-V54 HydrophobicContact CD2-CB 4Å; F7-V54 HydrophobicContact CD2-CG1 3.74Å; F7-V54 HydrophobicContact CD2-CG2 4.39Å; F7-V54 HydrophobicContact CE2-CB 4Å; F7-V54 HydrophobicContact CE2-CG1 3.84Å; F7-V54 HydrophobicContact CE2-CG2 3.87Å; F7-V54 HydrophobicContact CZ-CG2 4.44Å; F7-L55 HydrophobicContact CB-CD1 3.67Å; F7-L55 HydrophobicContact CB-CD2 4.4Å; F7-L55 HydrophobicContact CB-CG 4.01Å; F7-Y64 HydrophobicContact CB-CE1 3.88Å; F7-Y64 HydrophobicContact CD2-CD1 4.01Å; F7-Y64 AromaticContact CD2-CD2 3.49Å; F7-Y64 HydrophobicContact CD2-CD2 3.49Å; F7-Y64 VanDerWaalsContact CD2-CD2 3.49Å; F7-Y64 AromaticContact CD2-CE1 3.69Å; F7-Y64 HydrophobicContact CD2-CE1 3.69Å; F7-Y64 AromaticContact CD2-CE2 3.15Å; F7-Y64 HydrophobicContact CD2-CE2 3.15Å; F7-Y64 AromaticContact CD2-CG 3.9Å; F7-Y64 HydrophobicContact CD2-CG 3.9Å; F7-Y64 AromaticContact CD2-CZ 3.25Å; F7-Y64 AromaticContact CE2-CD2 3.57Å; F7-Y64 HydrophobicContact CE2-CD2 3.57Å; F7-Y64 AromaticContact CE2-CE2 3.35Å; F7-Y64 HydrophobicContact CE2-CE2 3.35Å; F7-Y64 HydrophobicContact CE2-CG 4.33Å; F7-Y64 AromaticContact CE2-CZ 3.95Å; F7-Y64 HydrophobicContact CG-CE1 4.13Å; F7-Y64 AromaticContact CG-CE2 4Å; F7-Y64 HydrophobicContact CG-CE2 4Å; F7-Y64 AromaticContact CG-CZ 3.69Å; F7-Y64 HydrophobicContact CZ-CE2 4.32Å; F7-Y64 PolarHBondContact N-OH 3.22Å; F7-E69 HydrophobicContact CZ-CG 3.94Å
8Y88.9Confident83.4Confident0 Ų072.3 Ų72.30%040%0.399CS..Hα-helixtrans-70.9-42.1175.2-64.2-77.7000110.8V2 T5 L11 G12 V13 P15 L55 R61 Y64 D65V2-Y8 HydrophobicContact CG1-CD2 4.45Å; V2-Y8 HydrophobicContact CG1-CE2 3.92Å; T5-Y8 WeakPolarHBondContact O-CA 3.45Å; T5-Y8 WeakPolarHBondContact O-CB 3.09Å; T5-Y8 PolarHBondContact O-N 2.86Å; Y8-L11 CarbonylContact O-C 3.52Å; Y8-L11 PolarHBondContact O-N 3.43Å; Y8-G12 PolarHBondContact O-N 2.98Å; Y8-V13 CarbonylContact C-O 3.14Å; Y8-V13 WeakPolarHBondContact CB-O 3.3Å; Y8-V13 HydrophobicContact CD1-CG2 4.08Å; Y8-V13 PolarHBondContact O-N 3.46Å; Y8-P15 HydrophobicContact CD2-CB 4.37Å; Y8-P15 HydrophobicContact CD2-CG 4.48Å; Y8-P15 WeakPolarHBondContact CE1-O 3.1Å; Y8-P15 HydrophobicContact CE2-CB 4.38Å; Y8-P15 HydrophobicContact CG-CB 4.48Å; Y8-P15 HydrophobicContact CG-CG 4.48Å; Y8-L55 HydrophobicContact CD1-CD1 3.67Å; Y8-L55 HydrophobicContact CD1-CD2 4.27Å; Y8-L55 HydrophobicContact CD2-CD1 4.47Å; Y8-L55 HydrophobicContact CD2-CD2 4.39Å; Y8-L55 HydrophobicContact CE1-CD1 3.83Å; Y8-L55 HydrophobicContact CE1-CD2 3.64Å; Y8-L55 HydrophobicContact CE1-CG 4.31Å; Y8-L55 HydrophobicContact CE2-CD2 3.78Å; Y8-L55 HydrophobicContact CG-CD1 4.03Å; Y8-R61 WeakPolarHBondContact OH-CG 3.42Å; Y8-R61 PolarHBondContact OH-NE 3.06Å; Y8-Y64 HydrophobicContact CD2-CE1 4.1Å; Y8-Y64 HydrophobicContact CE2-CD1 4.07Å; Y8-Y64 AromaticContact CE2-CE1 3.88Å; Y8-Y64 HydrophobicContact CE2-CE1 3.88Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.32Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.5Å; Y8-D65 VanDerWaalsContact OH-CG 3.32Å; Y8-D65 PolarHBondContact OH-OD1 3.06Å; Y8-D65 PolarHBondContact OH-OD2 2.99Å
9D87.8Confident83.5Confident102 Ų10273.1 Ų73.155%0.54541%0.408SS..Hα-helixtrans-65.7-39.5178.2-62.1-33.6000111.4T5 G6 L11 G12T5-D9 VanDerWaalsContact CB-OD2 3.26Å; T5-D9 WeakPolarHBondContact CB-OD2 3.32Å; T5-D9 VanDerWaalsContact O-CG 3.28Å; T5-D9 PolarHBondContact O-N 3.02Å; T5-D9 PolarHBondContact OG1-OD2 3.18Å; G6-D9 PolarHBondContact O-N 2.68Å; D9-L11 PolarHBondContact O-N 3.34Å; D9-G12 PolarHBondContact O-N 2.93Å
10M85.6Confident83.6Confident68 Ų6874.9 Ų74.934%0.33542%0.416SS..Hα-helixtrans-65.4-34.5175.8-78.4-164.9-83.800113.7G6 F7 G12 Q47 A51G6-M10 WeakPolarHBondContact O-CB 3.46Å; G6-M10 WeakPolarHBondContact O-CG 3.41Å; G6-M10 PolarHBondContact O-N 2.89Å; F7-M10 HydrophobicContact CD1-CE 3.43Å; F7-M10 VanDerWaalsContact CD1-CE 3.43Å; F7-M10 HydrophobicContact CE1-CE 3.78Å; M10-G12 VanDerWaalsContact C-N 3.31Å; M10-Q47 HydrophobicContact SD-CB 3.89Å; M10-A51 HydrophobicContact CB-CB 4.44Å
11L86.9Confident83.8Confident5 Ų576 Ų763%0.02642%0.419CS..Hα-helixtrans-83.5-9172.6-68.4179.5000112.7F7 Y8 D9 V13 L22 A25 L29 I48 A51 L55F7-L11 PolarHBondContact O-N 3.43Å; Y8-L11 CarbonylContact O-C 3.52Å; Y8-L11 PolarHBondContact O-N 3.43Å; D9-L11 PolarHBondContact O-N 3.34Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 HydrophobicContact CB-CG2 3.99Å; L11-L22 HydrophobicContact CD1-CD2 3.68Å; L11-A25 WeakPolarHBondContact O-CB 3.5Å; L11-L29 HydrophobicContact CD2-CD1 4.28Å; L11-I48 HydrophobicContact CD2-CG2 3.95Å; L11-A51 HydrophobicContact CD1-CB 4.33Å; L11-A51 HydrophobicContact CD2-CB 4.42Å; L11-A51 HydrophobicContact CG-CB 4.02Å; L11-L55 HydrophobicContact CD1-CD1 3.89Å
12G86.9Confident85.2Confident69 Ų6964.5 Ų64.571%0.71136%0.362SS*.THydrogen-bonded Turntrans67.831.9-177.900000113.4Y8 D9 M10Y8-G12 PolarHBondContact O-N 2.98Å; D9-G12 PolarHBondContact O-N 2.93Å; M10-G12 VanDerWaalsContact C-N 3.31Å
13V90.8Very high85.8Confident24 Ų2466.9 Ų66.915%0.14537%0.369CS..  trans-120.5160.8-178.9-62.30000111.3Y8 L11 A17 L22 A25Y8-V13 CarbonylContact C-O 3.14Å; Y8-V13 WeakPolarHBondContact CB-O 3.3Å; Y8-V13 HydrophobicContact CD1-CG2 4.08Å; Y8-V13 PolarHBondContact O-N 3.46Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 HydrophobicContact CB-CG2 3.99Å; V13-A17 HydrophobicContact CB-CB 3.86Å; V13-A17 HydrophobicContact CG2-CB 4.06Å; V13-L22 HydrophobicContact CG2-CD2 3.66Å; V13-A25 HydrophobicContact CG1-CB 3.52Å
14K89.5Confident86.5Confident173 Ų17367.7 Ų67.775%0.75237%0.372SS*.  trans-79.3155.6176.6-65.8-175.5179.9179.50111.2N16 A17K14-N16 PolarHBondContact O-N 3.06Å; K14-N16 VanDerWaalsContact O-N 3.08Å; K14-A17 WeakPolarHBondContact O-CB 3.45Å; K14-A17 PolarHBondContact O-N 3.48Å
15P85.9Confident87Confident42 Ų4265 Ų6527%0.27336%0.363SS..THydrogen-bonded Turntrans-56.9-25.5177.1-27.936000115.2V2 T5 Y8 A17 R61V2-P15 HydrophobicContact CB-CB 4.44Å; V2-P15 HydrophobicContact CG2-CB 3.82Å; T5-P15 HydrophobicContact CG2-CG 4.09Å; Y8-P15 HydrophobicContact CD2-CB 4.37Å; Y8-P15 HydrophobicContact CD2-CG 4.48Å; Y8-P15 WeakPolarHBondContact CE1-O 3.1Å; Y8-P15 HydrophobicContact CE2-CB 4.38Å; Y8-P15 HydrophobicContact CG-CB 4.48Å; Y8-P15 HydrophobicContact CG-CG 4.48Å; P15-A17 VanDerWaalsContact C-N 3.33Å; P15-R61 PolarHBondContact O-NH2 3.49Å
16N83.8Confident87.3Confident151 Ų15164.3 Ų64.381%0.80735%0.354SS*.THydrogen-bonded Turntrans-90.813.8175.5-68.6-6.7000113.5K14K14-N16 PolarHBondContact O-N 3.06Å; K14-N16 VanDerWaalsContact O-N 3.08Å
17A86.3Confident87.4Confident6 Ų670 Ų705%0.0537%0.365CS..  trans-61.3139.9-176.500000112V13 K14 P15 E21 L22 R61V13-A17 HydrophobicContact CB-CB 3.86Å; V13-A17 HydrophobicContact CG2-CB 4.06Å; K14-A17 WeakPolarHBondContact O-CB 3.45Å; K14-A17 PolarHBondContact O-N 3.48Å; P15-A17 VanDerWaalsContact C-N 3.33Å; A17-E21 WeakPolarHBondContact CA-OE2 3.47Å; A17-E21 HydrophobicContact CB-CB 4.32Å; A17-L22 HydrophobicContact CB-CG 4.32Å; A17-R61 PolarHBondContact O-NH1 2.78Å; A17-R61 PolarHBondContact O-NH2 2.95Å
18T89.4Confident87.4Confident67 Ų6777.9 Ų77.941%0.41140%0.399SS..  trans-72.3157.1175.359.30000110.8D20 E21 L22T18-D20 PolarHBondContact O-N 2.77Å; T18-E21 PolarHBondContact N-OE2 3.29Å; T18-E21 PolarHBondContact O-N 3.42Å; T18-E21 VanDerWaalsContact O-N 3.1Å; T18-E21 VanDerWaalsContact OG1-CD 3.24Å; T18-E21 VanDerWaalsContact OG1-CG 3.23Å; T18-E21 WeakPolarHBondContact OG1-CG 3.33Å; T18-E21 PolarHBondContact OG1-N 2.95Å; T18-E21 PolarHBondContact OG1-OE2 3.46Å; T18-E21 VanDerWaalsContact OG1-OE2 3.12Å; T18-L22 PolarHBondContact O-N 2.95Å
19P85Confident87.3Confident87 Ų8779.5 Ų79.557%0.56541%0.408SS*.Hα-helixtrans-57.4-32.2176.921.6-33.4000113L22 K23P19-L22 PolarHBondContact O-N 3.01Å; P19-K23 WeakPolarHBondContact O-CB 3.45Å; P19-K23 PolarHBondContact O-N 2.64Å
20D84.3Confident87.1Confident109 Ų10975.4 Ų75.458%0.58339%0.388SS*.Hα-helixtrans-70.8-35.6176.9-71.7-34.8000113T18 K24T18-D20 PolarHBondContact O-N 2.77Å; D20-K24 WeakPolarHBondContact O-CB 3.26Å; D20-K24 WeakPolarHBondContact O-CG 3.16Å; D20-K24 PolarHBondContact O-N 3.32Å
21E87.5Confident87Confident100 Ų10077.8 Ų77.847%0.46740%0.402SS..Hα-helixtrans-68.1-42.2173.8-74.4167.7161.900111.4A17 T18 K23 K24 A25A17-E21 WeakPolarHBondContact CA-OE2 3.47Å; A17-E21 HydrophobicContact CB-CB 4.32Å; T18-E21 PolarHBondContact N-OE2 3.29Å; T18-E21 PolarHBondContact O-N 3.42Å; T18-E21 VanDerWaalsContact O-N 3.1Å; T18-E21 VanDerWaalsContact OG1-CD 3.24Å; T18-E21 VanDerWaalsContact OG1-CG 3.23Å; T18-E21 WeakPolarHBondContact OG1-CG 3.33Å; T18-E21 PolarHBondContact OG1-N 2.95Å; T18-E21 PolarHBondContact OG1-OE2 3.46Å; T18-E21 VanDerWaalsContact OG1-OE2 3.12Å; E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 PolarHBondContact O-N 3.2Å; E21-K24 PolarHBondContact O-N 2.78Å; E21-A25 WeakPolarHBondContact O-CB 3.12Å; E21-A25 PolarHBondContact O-N 3.01Å
22L88.3Confident86.8Confident1 Ų183.4 Ų83.41%0.00543%0.426CS..Hα-helixtrans-58.6-45.5173.8-76.1164.9000111.4L11 V13 A17 T18 P19 A25 Y26 Y52 L55L11-L22 HydrophobicContact CD1-CD2 3.68Å; V13-L22 HydrophobicContact CG2-CD2 3.66Å; A17-L22 HydrophobicContact CB-CG 4.32Å; T18-L22 PolarHBondContact O-N 2.95Å; P19-L22 PolarHBondContact O-N 3.01Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-Y26 WeakPolarHBondContact O-CB 3.1Å; L22-Y26 PolarHBondContact O-N 2.94Å; L22-Y52 HydrophobicContact CB-CD2 4.44Å; L22-Y52 HydrophobicContact CB-CE2 4.24Å; L22-L55 HydrophobicContact CD1-CB 4.08Å; L22-L55 WeakPolarHBondContact CD1-O 3.43Å; L22-L55 HydrophobicContact CD2-CB 3.91Å; L22-L55 HydrophobicContact CD2-CD1 3.97Å
23K86.4Confident86.5Confident89 Ų8982.3 Ų82.339%0.38740%0.401SS..Hα-helixtrans-65.8-39.7179.2-171.2176-174.4176.20112.5P19 E21 R27 Y52P19-K23 WeakPolarHBondContact O-CB 3.45Å; P19-K23 PolarHBondContact O-N 2.64Å; E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 PolarHBondContact O-N 3.2Å; K23-R27 VanDerWaalsContact CE-NH2 3.34Å; K23-R27 WeakPolarHBondContact O-CG 3.34Å; K23-R27 PolarHBondContact O-N 3.22Å; K23-R27 VanDerWaalsContact O-N 3.09Å; K23-Y52 HydrophobicContact CB-CE2 4.28Å
24K89.1Confident86Confident157 Ų15784.5 Ų84.568%0.68341%0.409SS*.Hα-helixtrans-66.2-44.4175.4-78.8173.9-179.5174.80111.6D20 E21 R27 K28D20-K24 WeakPolarHBondContact O-CB 3.26Å; D20-K24 WeakPolarHBondContact O-CG 3.16Å; D20-K24 PolarHBondContact O-N 3.32Å; E21-K24 PolarHBondContact O-N 2.78Å; K24-R27 PolarHBondContact O-N 3.19Å; K24-K28 PolarHBondContact O-N 2.93Å; K24-K28 VanDerWaalsContact O-N 3.16Å
25A89.6Confident85.3Confident18 Ų1879 Ų7915%0.14939%0.391CS..Hα-helixtrans-63.1-46.8178.200000111.8L11 V13 E21 L22 R27 K28 L29L11-A25 WeakPolarHBondContact O-CB 3.5Å; V13-A25 HydrophobicContact CG1-CB 3.52Å; E21-A25 WeakPolarHBondContact O-CB 3.12Å; E21-A25 PolarHBondContact O-N 3.01Å; L22-A25 PolarHBondContact O-N 3.27Å; A25-R27 PolarHBondContact O-N 3.29Å; A25-K28 PolarHBondContact O-N 3.43Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3.31Å; A25-L29 VanDerWaalsContact O-N 3.08Å
26Y89.3Confident84.7Confident46 Ų4683.6 Ų83.618%0.1841%0.413CS..Hα-helixtrans-58.5-48.8175.7174.3-108.9000112.3L22 K28 L29 A30 I48 Y52L22-Y26 WeakPolarHBondContact O-CB 3.1Å; L22-Y26 PolarHBondContact O-N 2.94Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.14Å; Y26-L29 PolarHBondContact O-N 2.68Å; Y26-A30 HydrophobicContact CE1-CB 4.44Å; Y26-A30 HydrophobicContact CE2-CB 4.3Å; Y26-A30 WeakPolarHBondContact O-CB 3.38Å; Y26-A30 PolarHBondContact O-N 2.77Å; Y26-I48 HydrophobicContact CD2-CG2 3.79Å; Y26-I48 HydrophobicContact CE2-CG2 4.08Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.47Å; Y26-Y52 AromaticContact CD1-CD1 3.83Å; Y26-Y52 HydrophobicContact CD1-CD1 3.83Å; Y26-Y52 HydrophobicContact CD1-CD2 4.37Å; Y26-Y52 AromaticContact CD1-CE1 4Å; Y26-Y52 HydrophobicContact CD1-CE1 4Å; Y26-Y52 HydrophobicContact CD1-CG 4.03Å; Y26-Y52 HydrophobicContact CD2-CD1 4.12Å; Y26-Y52 HydrophobicContact CD2-CD2 4.39Å; Y26-Y52 AromaticContact CD2-CG 3.76Å; Y26-Y52 HydrophobicContact CD2-CG 3.76Å; Y26-Y52 HydrophobicContact CE1-CD1 4.1Å; Y26-Y52 HydrophobicContact CE1-CE1 4.35Å; Y26-Y52 HydrophobicContact CE2-CD1 4.39Å; Y26-Y52 HydrophobicContact CE2-CG 4.4Å; Y26-Y52 AromaticContact CG-CD1 3.84Å; Y26-Y52 HydrophobicContact CG-CD1 3.84Å; Y26-Y52 AromaticContact CG-CD2 3.84Å; Y26-Y52 HydrophobicContact CG-CD2 3.84Å; Y26-Y52 HydrophobicContact CG-CE1 4.35Å; Y26-Y52 HydrophobicContact CG-CE2 4.35Å; Y26-Y52 AromaticContact CG-CG 3.55Å; Y26-Y52 HydrophobicContact CG-CG 3.55Å
27R86.7Confident84.2Confident152 Ų15283.4 Ų83.457%0.57441%0.405SS*.Hα-helixtrans-58.2-40.9178.6-77.3178-177.2-169.4-2.5112.7K23 K24 A25 L31K23-R27 VanDerWaalsContact CE-NH2 3.34Å; K23-R27 WeakPolarHBondContact O-CG 3.34Å; K23-R27 PolarHBondContact O-N 3.22Å; K23-R27 VanDerWaalsContact O-N 3.09Å; K24-R27 PolarHBondContact O-N 3.19Å; A25-R27 PolarHBondContact O-N 3.29Å; R27-L31 WeakPolarHBondContact O-CG 3.39Å; R27-L31 PolarHBondContact O-N 2.88Å; R27-L31 VanDerWaalsContact O-N 3.17Å
28K88.6Confident83.4Confident169 Ų16986.4 Ų86.474%0.73542%0.42SS*.Hα-helixtrans-65-42179-173.5179.4178.8-177.90111.6K24 A25 Y26 K32K24-K28 PolarHBondContact O-N 2.93Å; K24-K28 VanDerWaalsContact O-N 3.16Å; A25-K28 PolarHBondContact O-N 3.43Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.14Å; K28-K32 PolarHBondContact O-N 3.5Å
29L86.6Confident82.3Confident34 Ų3488.3 Ų88.318%0.17843%0.434CS..Hα-helixtrans-75.9-39.4179.8-69.1171.6000112.4L11 A25 Y26 L31 K32 Y33 I48L11-L29 HydrophobicContact CD2-CD1 4.28Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3.31Å; A25-L29 VanDerWaalsContact O-N 3.08Å; Y26-L29 PolarHBondContact O-N 2.68Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.88Å; L29-K32 PolarHBondContact O-N 3.08Å; L29-K32 VanDerWaalsContact O-N 3.09Å; L29-Y33 HydrophobicContact CD2-CD2 4.43Å; L29-Y33 HydrophobicContact CD2-CE2 4.02Å; L29-Y33 WeakPolarHBondContact O-CD2 3.46Å; L29-Y33 PolarHBondContact O-N 3.22Å; L29-I48 HydrophobicContact CB-CD1 3.98Å; L29-I48 HydrophobicContact CB-CG2 3.92Å; L29-I48 HydrophobicContact CD1-CD1 4.48Å; L29-I48 HydrophobicContact CD1-CG1 4.41Å; L29-I48 HydrophobicContact CD1-CG2 4.37Å
30A83.4Confident81.6Confident16 Ų1690.4 Ų90.413%0.13245%0.446CS..Hα-helixtrans-62.3-37.4177.200000112.4Y26 K32 H34 F45Y26-A30 HydrophobicContact CE1-CB 4.44Å; Y26-A30 HydrophobicContact CE2-CB 4.3Å; Y26-A30 WeakPolarHBondContact O-CB 3.38Å; Y26-A30 PolarHBondContact O-N 2.77Å; A30-K32 VanDerWaalsContact C-N 3.35Å; A30-H34 WeakPolarHBondContact O-CA 3.23Å; A30-H34 WeakPolarHBondContact O-CB 3.34Å; A30-H34 PolarHBondContact O-N 2.86Å; A30-H34 VanDerWaalsContact O-N 3.15Å; A30-F45 HydrophobicContact CB-CE2 3.93Å
31L83.4Confident80.9Confident119 Ų11988.3 Ų88.362%0.62343%0.432SS*.Hα-helixtrans-68.7-32.5173.5-81.3164.1000113.1R27 L29R27-L31 WeakPolarHBondContact O-CG 3.39Å; R27-L31 PolarHBondContact O-N 2.88Å; R27-L31 VanDerWaalsContact O-N 3.17Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.88Å
32K81.9Confident80.1Confident123 Ų12384.6 Ų84.654%0.53542%0.421SS..Hα-helixtrans-78.2-38.8-178.1-174.9178.6177.9-170.60112.2K28 L29 A30 N38K28-K32 PolarHBondContact O-N 3.5Å; L29-K32 PolarHBondContact O-N 3.08Å; L29-K32 VanDerWaalsContact O-N 3.09Å; A30-K32 VanDerWaalsContact C-N 3.35Å; K32-N38 PolarHBondContact O-ND2 3.46Å
33Y81.3Confident79.4Confident46 Ų4691.6 Ų91.618%0.1845%0.453CS..SBendtrans-105.719.8-176.7-63.3-73.1000113.1L29 E41 K44 F45 I48L29-Y33 HydrophobicContact CD2-CD2 4.43Å; L29-Y33 HydrophobicContact CD2-CE2 4.02Å; L29-Y33 WeakPolarHBondContact O-CD2 3.46Å; L29-Y33 PolarHBondContact O-N 3.22Å; Y33-E41 HydrophobicContact CD1-CB 4.07Å; Y33-K44 HydrophobicContact CD1-CB 4.36Å; Y33-K44 HydrophobicContact CE1-CD 4.14Å; Y33-F45 WeakPolarHBondContact O-CB 3.45Å; Y33-F45 WeakPolarHBondContact O-CD2 3.46Å; Y33-I48 HydrophobicContact CD2-CD1 3.57Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å
34H79.4Confident79Confident69 Ų6991.5 Ų91.532%0.31945%0.453SS..  trans-60132.3179-164-86000110.8A30 D36 K37 N38A30-H34 WeakPolarHBondContact O-CA 3.23Å; A30-H34 WeakPolarHBondContact O-CB 3.34Å; A30-H34 PolarHBondContact O-N 2.86Å; A30-H34 VanDerWaalsContact O-N 3.15Å; H34-D36 IonicContact CE1-OD2 3.64Å; H34-D36 PolarHBondContact CE1-OD2 3.21Å; H34-D36 VanDerWaalsContact CE1-OD2 3.3Å; H34-D36 WeakPolarHBondContact ND1-CB 3.36Å; H34-D36 PolarHBondContact ND1-N 3.43Å; H34-D36 IonicContact ND1-OD2 2.71Å; H34-D36 PolarHBondContact O-N 3.12Å; H34-K37 PolarHBondContact O-N 2.91Å; H34-N38 PolarHBondContact O-N 3.1Å
35P74.3Confident78.6Confident57 Ų5786 Ų8637%0.3743%0.429SS..THydrogen-bonded Turntrans-58.3-34.3-17519.5-31.6000113.3K37 N38 P39P35-K37 VanDerWaalsContact C-N 3.28Å; P35-K37 PolarHBondContact O-N 3.05Å; P35-N38 CarbonylContact O-C 3.57Å; P35-P39 WeakPolarHBondContact O-CA 3.33Å
36D74.9Confident78.2Confident139 Ų13990.7 Ų90.774%0.74345%0.446SS*.THydrogen-bonded Turntrans-65.5-27.5175.7-64.3-8.7000114.1H34H34-D36 IonicContact CE1-OD2 3.64Å; H34-D36 PolarHBondContact CE1-OD2 3.21Å; H34-D36 VanDerWaalsContact CE1-OD2 3.3Å; H34-D36 WeakPolarHBondContact ND1-CB 3.36Å; H34-D36 PolarHBondContact ND1-N 3.43Å; H34-D36 IonicContact ND1-OD2 2.71Å; H34-D36 PolarHBondContact O-N 3.12Å
37K72.9Confident77.9Confident147 Ų14793 Ų9364%0.63946%0.459SS*.THydrogen-bonded Turntrans-98.7-27.8-177.5-65.7-172.5-179.9-176.90112.5H34 P35H34-K37 PolarHBondContact O-N 2.91Å; P35-K37 VanDerWaalsContact C-N 3.28Å; P35-K37 PolarHBondContact O-N 3.05Å
38N68.8Low77.9Confident69 Ų6986.2 Ų86.237%0.36943%0.434SS..  trans-140.481.5-179.9-78-45.6000110.9K32 H34 P35 T40 E41K32-N38 PolarHBondContact O-ND2 3.46Å; H34-N38 PolarHBondContact O-N 3.1Å; P35-N38 CarbonylContact O-C 3.57Å; N38-T40 PolarHBondContact O-N 3.49Å; N38-E41 HydrophobicContact CB-CB 4.43Å; N38-E41 PolarHBondContact O-N 3.33Å
39P67.6Low77.7Confident107 Ų10778.3 Ų78.370%0.69540%0.399SS*.G310 helixtrans-64.8-22.8-175.6-21.132.4000114.5P35P35-P39 WeakPolarHBondContact O-CA 3.33Å
40T70.4Confident77.6Confident132 Ų13280 Ų8081%0.8141%0.407SS*.G310 helixtrans-84.3-13.7-177.843.30000114.1N38N38-T40 PolarHBondContact O-N 3.49Å
41E69.6Low77.8Confident65 Ų6579.2 Ų79.230%0.30440%0.4SS..G310 helixtrans-113.722.1-174.3-69.8-79.2-157.100112.5Y33 N38 E43 K44 F45Y33-E41 HydrophobicContact CD1-CB 4.07Å; N38-E41 HydrophobicContact CB-CB 4.43Å; N38-E41 PolarHBondContact O-N 3.33Å; E41-E43 PolarHBondContact O-N 2.91Å; E41-K44 PolarHBondContact O-N 3.4Å; E41-K44 VanDerWaalsContact O-N 3.14Å; E41-K44 IonicContact OE1-NZ 2.78Å; E41-K44 PolarHBondContact OE1-NZ 3.44Å; E41-K44 WeakPolarHBondContact OE2-CD 3.33Å; E41-K44 WeakPolarHBondContact OE2-CE 3.32Å; E41-K44 IonicContact OE2-NZ 2.77Å; E41-K44 PolarHBondContact OE2-NZ 3.48Å; E41-F45 PolarHBondContact O-N 2.92Å
42G70.3Confident78Confident22 Ų2275.5 Ų75.523%0.22738%0.378CS..Hα-helixtrans-60.7-26.1-17800000114.1F45 K46G42-F45 PolarHBondContact O-N 3.28Å; G42-K46 WeakPolarHBondContact O-CG 3.45Å; G42-K46 PolarHBondContact O-N 3.09Å
43E74Confident78.1Confident148 Ų14871.4 Ų71.469%0.69236%0.361SS*.Hα-helixtrans-67.4-37.5176.1-66-169.4160.800112.6E41 F45 K46 Q47E41-E43 PolarHBondContact O-N 2.91Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 2.93Å; E43-K46 WeakPolarHBondContact O-CB 3.24Å; E43-K46 PolarHBondContact O-N 3.41Å; E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-N 2.95Å; E43-Q47 VanDerWaalsContact O-N 3.13Å
44K77.8Confident78.3Confident87 Ų8769.4 Ų69.438%0.37835%0.354SS..Hα-helixtrans-66.9-38176.5-68-175.5-175.1143.70111.2Y33 E41 K46 Q47 I48Y33-K44 HydrophobicContact CD1-CB 4.36Å; Y33-K44 HydrophobicContact CE1-CD 4.14Å; E41-K44 PolarHBondContact O-N 3.4Å; E41-K44 VanDerWaalsContact O-N 3.14Å; E41-K44 IonicContact OE1-NZ 2.78Å; E41-K44 PolarHBondContact OE1-NZ 3.44Å; E41-K44 WeakPolarHBondContact OE2-CD 3.33Å; E41-K44 WeakPolarHBondContact OE2-CE 3.32Å; E41-K44 IonicContact OE2-NZ 2.77Å; E41-K44 PolarHBondContact OE2-NZ 3.48Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 2.78Å; K44-Q47 PolarHBondContact O-N 3.08Å; K44-I48 WeakPolarHBondContact O-CB 3.34Å; K44-I48 WeakPolarHBondContact O-CD1 3.48Å; K44-I48 VanDerWaalsContact O-CG1 3.26Å; K44-I48 WeakPolarHBondContact O-CG1 3.47Å; K44-I48 PolarHBondContact O-N 3.19Å
45F80.6Confident78.6Confident42 Ų4266.3 Ų66.318%0.18434%0.339CS..Hα-helixtrans-60.7-40.5174.8-175.6-97.8000112.4A30 Y33 E41 G42 E43 S49A30-F45 HydrophobicContact CB-CE2 3.93Å; Y33-F45 WeakPolarHBondContact O-CB 3.45Å; Y33-F45 WeakPolarHBondContact O-CD2 3.46Å; E41-F45 PolarHBondContact O-N 2.92Å; G42-F45 PolarHBondContact O-N 3.28Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 2.93Å; F45-S49 WeakPolarHBondContact O-CB 3.5Å; F45-S49 PolarHBondContact O-N 3.46Å; F45-S49 PolarHBondContact O-OG 3.4Å
46K80.6Confident79.1Confident116 Ų11666.2 Ų66.250%0.50434%0.34SS..Hα-helixtrans-61.9-46.8175.3-68.5176-177.5-175.60111.5G42 E43 K44 S49 Q50G42-K46 WeakPolarHBondContact O-CG 3.45Å; G42-K46 PolarHBondContact O-N 3.09Å; E43-K46 WeakPolarHBondContact O-CB 3.24Å; E43-K46 PolarHBondContact O-N 3.41Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 2.78Å; K46-S49 PolarHBondContact O-N 2.91Å; K46-Q50 PolarHBondContact O-N 3.47Å
47Q82.8Confident79.6Confident94 Ų9462.5 Ų62.544%0.43932%0.32SS..Hα-helixtrans-64.4-41.7179.6-69174.72.400112.6M10 E43 K44 S49 Q50 A51M10-Q47 HydrophobicContact SD-CB 3.89Å; E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-N 2.95Å; E43-Q47 VanDerWaalsContact O-N 3.13Å; K44-Q47 PolarHBondContact O-N 3.08Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-S49 PolarHBondContact O-N 3.4Å; Q47-Q50 PolarHBondContact O-N 3.2Å; Q47-A51 WeakPolarHBondContact O-CB 3.4Å; Q47-A51 PolarHBondContact O-N 2.83Å
48I86Confident80Confident10 Ų1060 Ų605%0.05132%0.321CS..Hα-helixtrans-62.3-41175.7-72.6158.8000111.2L11 Y26 L29 Y33 K44 A51 Y52L11-I48 HydrophobicContact CD2-CG2 3.95Å; Y26-I48 HydrophobicContact CD2-CG2 3.79Å; Y26-I48 HydrophobicContact CE2-CG2 4.08Å; L29-I48 HydrophobicContact CB-CD1 3.98Å; L29-I48 HydrophobicContact CB-CG2 3.92Å; L29-I48 HydrophobicContact CD1-CD1 4.48Å; L29-I48 HydrophobicContact CD1-CG1 4.41Å; L29-I48 HydrophobicContact CD1-CG2 4.37Å; Y33-I48 HydrophobicContact CD2-CD1 3.57Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å; K44-I48 WeakPolarHBondContact O-CB 3.34Å; K44-I48 WeakPolarHBondContact O-CD1 3.48Å; K44-I48 VanDerWaalsContact O-CG1 3.26Å; K44-I48 WeakPolarHBondContact O-CG1 3.47Å; K44-I48 PolarHBondContact O-N 3.19Å; I48-A51 PolarHBondContact O-N 3.26Å; I48-Y52 PolarHBondContact O-N 2.83Å
49S84.9Confident80.5Confident2 Ų263.6 Ų63.61%0.01434%0.336CS..Hα-helixtrans-69.5-41.2179.9-550000111.8F45 K46 Q47 Y52 E53F45-S49 WeakPolarHBondContact O-CB 3.5Å; F45-S49 PolarHBondContact O-N 3.46Å; F45-S49 PolarHBondContact O-OG 3.4Å; K46-S49 PolarHBondContact O-N 2.91Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-S49 PolarHBondContact O-N 3.4Å; S49-Y52 PolarHBondContact O-N 3.15Å; S49-E53 PolarHBondContact O-N 3.3Å
50Q84.6Confident81.1Confident70 Ų7061 Ų6133%0.32731%0.313SS..Hα-helixtrans-61.4-45.1173.6-174.4-178.811.800111.9K46 Q47 Y52 E53 V54K46-Q50 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 3.2Å; Q50-Y52 VanDerWaalsContact C-N 3.34Å; Q50-Y52 PolarHBondContact O-N 3.28Å; Q50-E53 WeakPolarHBondContact O-CB 3.39Å; Q50-E53 PolarHBondContact O-N 3.16Å; Q50-V54 PolarHBondContact O-N 3.41Å
51A87.3Confident81.8Confident0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-60.6-42.9177.700000111.8F7 M10 L11 Q47 I48 L55F7-A51 HydrophobicContact CB-CB 3.91Å; F7-A51 HydrophobicContact CD1-CB 3.66Å; F7-A51 HydrophobicContact CG-CB 4.03Å; M10-A51 HydrophobicContact CB-CB 4.44Å; L11-A51 HydrophobicContact CD1-CB 4.33Å; L11-A51 HydrophobicContact CD2-CB 4.42Å; L11-A51 HydrophobicContact CG-CB 4.02Å; Q47-A51 WeakPolarHBondContact O-CB 3.4Å; Q47-A51 PolarHBondContact O-N 2.83Å; I48-A51 PolarHBondContact O-N 3.26Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 VanDerWaalsContact O-CG 3.29Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.07Å; A51-L55 VanDerWaalsContact O-N 3.1Å
52Y87.2Confident82.3Confident41 Ų4158.5 Ų58.516%0.16129%0.291CS..Hα-helixtrans-67.9-38.2177.1-179.1-104.6000112.6L22 K23 Y26 I48 S49 Q50 V54 L55 S56L22-Y52 HydrophobicContact CB-CD2 4.44Å; L22-Y52 HydrophobicContact CB-CE2 4.24Å; K23-Y52 HydrophobicContact CB-CE2 4.28Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.47Å; Y26-Y52 AromaticContact CD1-CD1 3.83Å; Y26-Y52 HydrophobicContact CD1-CD1 3.83Å; Y26-Y52 HydrophobicContact CD1-CD2 4.37Å; Y26-Y52 AromaticContact CD1-CE1 4Å; Y26-Y52 HydrophobicContact CD1-CE1 4Å; Y26-Y52 HydrophobicContact CD1-CG 4.03Å; Y26-Y52 HydrophobicContact CD2-CD1 4.12Å; Y26-Y52 HydrophobicContact CD2-CD2 4.39Å; Y26-Y52 AromaticContact CD2-CG 3.76Å; Y26-Y52 HydrophobicContact CD2-CG 3.76Å; Y26-Y52 HydrophobicContact CE1-CD1 4.1Å; Y26-Y52 HydrophobicContact CE1-CE1 4.35Å; Y26-Y52 HydrophobicContact CE2-CD1 4.39Å; Y26-Y52 HydrophobicContact CE2-CG 4.4Å; Y26-Y52 AromaticContact CG-CD1 3.84Å; Y26-Y52 HydrophobicContact CG-CD1 3.84Å; Y26-Y52 AromaticContact CG-CD2 3.84Å; Y26-Y52 HydrophobicContact CG-CD2 3.84Å; Y26-Y52 HydrophobicContact CG-CE1 4.35Å; Y26-Y52 HydrophobicContact CG-CE2 4.35Å; Y26-Y52 AromaticContact CG-CG 3.55Å; Y26-Y52 HydrophobicContact CG-CG 3.55Å; I48-Y52 PolarHBondContact O-N 2.83Å; S49-Y52 PolarHBondContact O-N 3.15Å; Q50-Y52 VanDerWaalsContact C-N 3.34Å; Q50-Y52 PolarHBondContact O-N 3.28Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.22Å; Y52-L55 PolarHBondContact O-N 2.71Å; Y52-S56 WeakPolarHBondContact O-CA 3.41Å; Y52-S56 WeakPolarHBondContact O-CB 3.44Å; Y52-S56 PolarHBondContact O-N 3.26Å; Y52-S56 PolarHBondContact O-OG 3.01Å
53E85.3Confident82.8Confident36 Ų3661 Ų6117%0.16830%0.301CS..Hα-helixtrans-57.1-48.3176.8-158.1-161139.800112S49 Q50 S56 K60 F91 F92S49-E53 PolarHBondContact O-N 3.3Å; Q50-E53 WeakPolarHBondContact O-CB 3.39Å; Q50-E53 PolarHBondContact O-N 3.16Å; E53-S56 PolarHBondContact O-OG 3.38Å; E53-K60 IonicContact OE1-NZ 3.3Å; E53-K60 PolarHBondContact OE1-NZ 3.28Å; E53-F91 WeakPolarHBondContact OE1-CD1 3.48Å; E53-F91 VanDerWaalsContact OE1-CE1 3.27Å; E53-F91 WeakPolarHBondContact OE1-CE1 3.21Å; E53-F92 HydrophobicContact CB-CE2 3.63Å; E53-F92 HydrophobicContact CB-CZ 3.54Å; E53-F92 HydrophobicContact CG-CD2 4.4Å; E53-F92 HydrophobicContact CG-CE2 3.49Å; E53-F92 VanDerWaalsContact CG-CE2 3.49Å; E53-F92 HydrophobicContact CG-CZ 3.63Å; E53-F92 WeakPolarHBondContact OE2-CE2 3.47Å
54V85.3Confident83.2Confident5 Ų554 Ų543%0.0327%0.269CS..Hα-helixtrans-67.2-42.7-178.7169.40000111.5F7 Q50 Y52 K60 R61 Y64 I72F7-V54 HydrophobicContact CD2-CB 4Å; F7-V54 HydrophobicContact CD2-CG1 3.74Å; F7-V54 HydrophobicContact CD2-CG2 4.39Å; F7-V54 HydrophobicContact CE2-CB 4Å; F7-V54 HydrophobicContact CE2-CG1 3.84Å; F7-V54 HydrophobicContact CE2-CG2 3.87Å; F7-V54 HydrophobicContact CZ-CG2 4.44Å; Q50-V54 PolarHBondContact O-N 3.41Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.22Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 WeakPolarHBondContact O-CB 3.39Å; V54-R61 PolarHBondContact O-N 3.38Å; V54-R61 VanDerWaalsContact O-N 3.12Å; V54-Y64 HydrophobicContact CG1-CD2 4.31Å; V54-Y64 HydrophobicContact CG1-CG 3.96Å; V54-I72 HydrophobicContact CB-CD1 4.09Å; V54-I72 HydrophobicContact CG1-CD1 3.19Å; V54-I72 HydrophobicContact CG2-CD1 3.75Å; V54-I72 HydrophobicContact CG2-CG2 4.29Å
55L86.1Confident83.5Confident3 Ų351.7 Ų51.72%0.01626%0.261CS..Hα-helixtrans-84.1-19.6-174.9-64.7-179.4000113.8F7 Y8 L11 L22 A51 Y52 R61 Y64F7-L55 HydrophobicContact CB-CD1 3.67Å; F7-L55 HydrophobicContact CB-CD2 4.4Å; F7-L55 HydrophobicContact CB-CG 4.01Å; Y8-L55 HydrophobicContact CD1-CD1 3.67Å; Y8-L55 HydrophobicContact CD1-CD2 4.27Å; Y8-L55 HydrophobicContact CD2-CD1 4.47Å; Y8-L55 HydrophobicContact CD2-CD2 4.39Å; Y8-L55 HydrophobicContact CE1-CD1 3.83Å; Y8-L55 HydrophobicContact CE1-CD2 3.64Å; Y8-L55 HydrophobicContact CE1-CG 4.31Å; Y8-L55 HydrophobicContact CE2-CD2 3.78Å; Y8-L55 HydrophobicContact CG-CD1 4.03Å; L11-L55 HydrophobicContact CD1-CD1 3.89Å; L22-L55 HydrophobicContact CD1-CB 4.08Å; L22-L55 WeakPolarHBondContact CD1-O 3.43Å; L22-L55 HydrophobicContact CD2-CB 3.91Å; L22-L55 HydrophobicContact CD2-CD1 3.97Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 VanDerWaalsContact O-CG 3.29Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.07Å; A51-L55 VanDerWaalsContact O-N 3.1Å; Y52-L55 PolarHBondContact O-N 2.71Å; L55-R61 HydrophobicContact CD2-CG 4.07Å; L55-Y64 HydrophobicContact CD2-CD1 3.93Å; L55-Y64 HydrophobicContact CD2-CE1 4.35Å
56S84.9Confident83.4Confident56 Ų5658.2 Ų58.239%0.39228%0.284SS..Hα-helixtrans-78.3-29.7179.563.30000113.4Y52 E53Y52-S56 WeakPolarHBondContact O-CA 3.41Å; Y52-S56 WeakPolarHBondContact O-CB 3.44Å; Y52-S56 PolarHBondContact O-N 3.26Å; Y52-S56 PolarHBondContact O-OG 3.01Å; E53-S56 PolarHBondContact O-OG 3.38Å
57D84.4Confident83.1Confident60 Ų6053.6 Ų53.632%0.32127%0.269SS..SBendtrans-89.5122.7174.6-173.1-37.3000110.4Q59 K60 R61D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 3.39Å; D57-Q59 PolarHBondContact OD1-N 2.8Å; D57-K60 HydrophobicContact CB-CB 4.08Å; D57-K60 HydrophobicContact CB-CD 4.12Å; D57-K60 HydrophobicContact CB-CG 4.06Å; D57-K60 PolarHBondContact O-N 2.88Å; D57-R61 VanDerWaalsContact O-CB 3.24Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 3.1Å
58S82.3Confident82.8Confident95 Ų9549.1 Ų49.166%0.66425%0.248SC*.Hα-helixtrans-54.6-37.7179.8580000114.1E62S58-E62 PolarHBondContact O-N 3.21Å; S58-E62 VanDerWaalsContact O-N 3.17Å
59Q77.6Confident82Confident144 Ų14451.8 Ų51.867%0.67326%0.26SS*.Hα-helixtrans-76.4-43-177.7-65-171.2-45.300110.9D57 R61 E62 V63D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 3.39Å; D57-Q59 PolarHBondContact OD1-N 2.8Å; Q59-R61 VanDerWaalsContact C-N 3.34Å; Q59-E62 PolarHBondContact O-N 3.29Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 3.44Å; Q59-V63 VanDerWaalsContact O-N 3.13Å
60K81Confident81.2Confident52 Ų5260.3 Ų60.323%0.22630%0.297CS..Hα-helixtrans-67.4-36.5177-64.1-175.8177.9-178.20111.7E53 V54 D57 V63 Y64E53-K60 IonicContact OE1-NZ 3.3Å; E53-K60 PolarHBondContact OE1-NZ 3.28Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 WeakPolarHBondContact O-CB 3.39Å; D57-K60 HydrophobicContact CB-CB 4.08Å; D57-K60 HydrophobicContact CB-CD 4.12Å; D57-K60 HydrophobicContact CB-CG 4.06Å; D57-K60 PolarHBondContact O-N 2.88Å; K60-V63 PolarHBondContact O-N 3.43Å; K60-Y64 WeakPolarHBondContact O-CB 3.37Å; K60-Y64 PolarHBondContact O-N 3.47Å
61R84.5Confident80.2Confident40 Ų4058.8 Ų58.815%0.15130%0.296CS..Hα-helixtrans-61.9-44.3174.6-176.2175.3-179.9175.1-0.7111.5Y8 P15 A17 V54 L55 D57 Q59 V63 Y64 D65Y8-R61 WeakPolarHBondContact OH-CG 3.42Å; Y8-R61 PolarHBondContact OH-NE 3.06Å; P15-R61 PolarHBondContact O-NH2 3.49Å; A17-R61 PolarHBondContact O-NH1 2.78Å; A17-R61 PolarHBondContact O-NH2 2.95Å; V54-R61 PolarHBondContact O-N 3.38Å; V54-R61 VanDerWaalsContact O-N 3.12Å; L55-R61 HydrophobicContact CD2-CG 4.07Å; D57-R61 VanDerWaalsContact O-CB 3.24Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 3.1Å; Q59-R61 VanDerWaalsContact C-N 3.34Å; R61-V63 VanDerWaalsContact C-N 3.35Å; R61-V63 PolarHBondContact O-N 2.98Å; R61-Y64 WeakPolarHBondContact O-CB 3.34Å; R61-Y64 PolarHBondContact O-N 3.3Å; R61-D65 WeakPolarHBondContact O-CB 3.43Å; R61-D65 PolarHBondContact O-N 3.49Å
62E80.1Confident79.1Confident105 Ų10561.3 Ų61.349%0.49131%0.309SS..Hα-helixtrans-63.6-40.9176.9-168.6-175.4165.900112.1S58 Q59 D65 R66S58-E62 PolarHBondContact O-N 3.21Å; S58-E62 VanDerWaalsContact O-N 3.17Å; Q59-E62 PolarHBondContact O-N 3.29Å; E62-D65 PolarHBondContact O-N 3.42Å; E62-R66 WeakPolarHBondContact O-CB 3.44Å; E62-R66 PolarHBondContact O-N 2.81Å; E62-R66 IonicContact OE1-CZ 3.71Å; E62-R66 IonicContact OE1-NH2 3.64Å; E62-R66 PolarHBondContact OE1-NH2 3.35Å
63V81.8Confident77.9Confident74 Ų7466.3 Ų66.345%0.44833%0.332SS..Hα-helixtrans-64.4-41.2175.7173.90000111.2Q59 K60 R61 G67 A71 I72Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 3.44Å; Q59-V63 VanDerWaalsContact O-N 3.13Å; K60-V63 PolarHBondContact O-N 3.43Å; R61-V63 VanDerWaalsContact C-N 3.35Å; R61-V63 PolarHBondContact O-N 2.98Å; V63-G67 WeakPolarHBondContact O-CA 3.43Å; V63-G67 PolarHBondContact O-N 3.41Å; V63-A71 HydrophobicContact CG1-CB 4.17Å; V63-I72 HydrophobicContact CG1-CG1 4.2Å
64Y81.6Confident75.9Confident2 Ų267.8 Ų67.81%0.00836%0.357CS..Hα-helixtrans-63.9-47.8173.7-177.4-112.6000111.8E4 G6 F7 Y8 V54 L55 K60 R61 R66 G67 G68 E69 I72E4-Y64 WeakPolarHBondContact O-CE1 3.21Å; E4-Y64 PolarHBondContact O-OH 3.13Å; G6-Y64 PolarHBondContact N-OH 3.28Å; F7-Y64 HydrophobicContact CB-CE1 3.88Å; F7-Y64 HydrophobicContact CD2-CD1 4.01Å; F7-Y64 AromaticContact CD2-CD2 3.49Å; F7-Y64 HydrophobicContact CD2-CD2 3.49Å; F7-Y64 VanDerWaalsContact CD2-CD2 3.49Å; F7-Y64 AromaticContact CD2-CE1 3.69Å; F7-Y64 HydrophobicContact CD2-CE1 3.69Å; F7-Y64 AromaticContact CD2-CE2 3.15Å; F7-Y64 HydrophobicContact CD2-CE2 3.15Å; F7-Y64 AromaticContact CD2-CG 3.9Å; F7-Y64 HydrophobicContact CD2-CG 3.9Å; F7-Y64 AromaticContact CD2-CZ 3.25Å; F7-Y64 AromaticContact CE2-CD2 3.57Å; F7-Y64 HydrophobicContact CE2-CD2 3.57Å; F7-Y64 AromaticContact CE2-CE2 3.35Å; F7-Y64 HydrophobicContact CE2-CE2 3.35Å; F7-Y64 HydrophobicContact CE2-CG 4.33Å; F7-Y64 AromaticContact CE2-CZ 3.95Å; F7-Y64 HydrophobicContact CG-CE1 4.13Å; F7-Y64 AromaticContact CG-CE2 4Å; F7-Y64 HydrophobicContact CG-CE2 4Å; F7-Y64 AromaticContact CG-CZ 3.69Å; F7-Y64 HydrophobicContact CZ-CE2 4.32Å; F7-Y64 PolarHBondContact N-OH 3.22Å; Y8-Y64 HydrophobicContact CD2-CE1 4.1Å; Y8-Y64 HydrophobicContact CE2-CD1 4.07Å; Y8-Y64 AromaticContact CE2-CE1 3.88Å; Y8-Y64 HydrophobicContact CE2-CE1 3.88Å; V54-Y64 HydrophobicContact CG1-CD2 4.31Å; V54-Y64 HydrophobicContact CG1-CG 3.96Å; L55-Y64 HydrophobicContact CD2-CD1 3.93Å; L55-Y64 HydrophobicContact CD2-CE1 4.35Å; K60-Y64 WeakPolarHBondContact O-CB 3.37Å; K60-Y64 PolarHBondContact O-N 3.47Å; R61-Y64 WeakPolarHBondContact O-CB 3.34Å; R61-Y64 PolarHBondContact O-N 3.3Å; Y64-R66 PolarHBondContact O-N 3.02Å; Y64-G67 PolarHBondContact O-N 3.46Å; Y64-G68 WeakPolarHBondContact O-CA 3.1Å; Y64-G68 PolarHBondContact O-N 2.98Å; Y64-E69 HydrophobicContact CE2-CB 4.37Å; Y64-I72 HydrophobicContact CD2-CD1 4.14Å; Y64-I72 HydrophobicContact CG-CD1 4.35Å
65D84.4Confident73.8Confident38 Ų3870.8 Ų70.820%0.20339%0.389CS..Hα-helixtrans-62.9-33.7-176.4-70.8-18000111.8V2 K3 Y8 R61 E62V2-D65 HydrophobicContact CG1-CB 4.4Å; V2-D65 HydrophobicContact CG2-CB 4.2Å; K3-D65 PolarHBondContact N-O 3.37Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.32Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.5Å; Y8-D65 VanDerWaalsContact OH-CG 3.32Å; Y8-D65 PolarHBondContact OH-OD1 3.06Å; Y8-D65 PolarHBondContact OH-OD2 2.99Å; R61-D65 WeakPolarHBondContact O-CB 3.43Å; R61-D65 PolarHBondContact O-N 3.49Å; E62-D65 PolarHBondContact O-N 3.42Å
66R79.4Confident71.6Confident180 Ų18073.8 Ų73.868%0.67942%0.421SS*.Hα-helixtrans-85-35.3176.9-167.7179.3-66.1163.86.3113.2K3 E62 Y64K3-R66 WeakPolarHBondContact CD-O 3.26Å; E62-R66 WeakPolarHBondContact O-CB 3.44Å; E62-R66 PolarHBondContact O-N 2.81Å; E62-R66 IonicContact OE1-CZ 3.71Å; E62-R66 IonicContact OE1-NH2 3.64Å; E62-R66 PolarHBondContact OE1-NH2 3.35Å; Y64-R66 PolarHBondContact O-N 3.02Å
67G73.8Confident69.3Low18 Ų1877 Ų7719%0.18644%0.444CS..Hα-helixtrans-113.4-20.4-162.700000116.5K3 V63 Y64K3-G67 PolarHBondContact NZ-O 3.04Å; V63-G67 WeakPolarHBondContact O-CA 3.43Å; V63-G67 PolarHBondContact O-N 3.41Å; Y64-G67 PolarHBondContact O-N 3.46Å
68G75.5Confident66.9Low0 Ų077.9 Ų77.90%047%0.467CS..  trans72.6-178.4-169.900000113E4 Y64 K70 A71E4-G68 VanDerWaalsContact OE2-CA 3.3Å; E4-G68 WeakPolarHBondContact OE2-CA 3.39Å; Y64-G68 WeakPolarHBondContact O-CA 3.1Å; Y64-G68 PolarHBondContact O-N 2.98Å; G68-K70 PolarHBondContact O-N 3.17Å; G68-K70 VanDerWaalsContact O-N 3.15Å; G68-A71 PolarHBondContact O-N 3.32Å; G68-A71 VanDerWaalsContact O-N 3.07Å
69E70.6Confident64.5Low66 Ų6676.9 Ų76.931%0.30847%0.471SS..Hα-helixtrans-58.4-32.2-175.5-166.2-173.3148.500112.7E4 F7 Y64 A71 I72 K73E4-E69 PolarHBondContact OE2-N 3.18Å; F7-E69 HydrophobicContact CZ-CG 3.94Å; Y64-E69 HydrophobicContact CE2-CB 4.37Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.01Å; E69-I72 PolarHBondContact O-N 3.09Å; E69-K73 PolarHBondContact O-N 3.48Å; E69-K73 WeakPolarHBondContact OE1-CE 3.46Å; E69-K73 IonicContact OE1-NZ 3.77Å; E69-K73 PolarHBondContact OE1-NZ 3.3Å
70K68.3Low62.8Low181 Ų18173.5 Ų73.579%0.78748%0.475SS*.Hα-helixtrans-64.9-30.2178.5-69-177.9179.6177.20113.5G68 I72 G74G68-K70 PolarHBondContact O-N 3.17Å; G68-K70 VanDerWaalsContact O-N 3.15Å; K70-I72 VanDerWaalsContact C-N 3.32Å; K70-G74 PolarHBondContact O-N 3.15Å; K70-G74 VanDerWaalsContact O-N 3.11Å
71A63Low60.5Low38 Ų3881 Ų8131%0.31451%0.508SS..Hα-helixtrans-72.4-28.1179.500000112.5V63 G68 E69V63-A71 HydrophobicContact CG1-CB 4.17Å; G68-A71 PolarHBondContact O-N 3.32Å; G68-A71 VanDerWaalsContact O-N 3.07Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.01Å
72I64.2Low58.2Low53 Ų5381.1 Ų81.127%0.27252%0.522SS..Hα-helixtrans-81.6-38.4177.1-70.2-175.6000111.3V54 V63 Y64 E69 K70 G74V54-I72 HydrophobicContact CB-CD1 4.09Å; V54-I72 HydrophobicContact CG1-CD1 3.19Å; V54-I72 HydrophobicContact CG2-CD1 3.75Å; V54-I72 HydrophobicContact CG2-CG2 4.29Å; V63-I72 HydrophobicContact CG1-CG1 4.2Å; Y64-I72 HydrophobicContact CD2-CD1 4.14Å; Y64-I72 HydrophobicContact CG-CD1 4.35Å; E69-I72 PolarHBondContact O-N 3.09Å; K70-I72 VanDerWaalsContact C-N 3.32Å; I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.27Å
73K60.8Low56.3Low146 Ų14680.3 Ų80.364%0.63553%0.527SS*.Hα-helixtrans-68.3-24.4174-81.5175.4172.4161.90113.4E69E69-K73 PolarHBondContact O-N 3.48Å; E69-K73 WeakPolarHBondContact OE1-CE 3.46Å; E69-K73 IonicContact OE1-NZ 3.77Å; E69-K73 PolarHBondContact OE1-NZ 3.3Å
74G43.5Very low54.4Low67 Ų6782.3 Ų82.369%0.69154%0.542SS*.THydrogen-bonded Turntrans-90.4-2.6-179.200000116.2K70 I72K70-G74 PolarHBondContact O-N 3.15Å; K70-G74 VanDerWaalsContact O-N 3.11Å; I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.27Å
75G41.7Very low52.7Low68 Ų6887.6 Ų87.670%0.70157%0.568SS**  trans-92.72.8-173.400000116.3
76G40Very low50.8Low67 Ų6790.9 Ų90.969%0.69159%0.586SS**SBendtrans-96.6117.1-178.900000112.2
77S36.4Very low49.4Very low124 Ų12488.1 Ų88.187%0.86758%0.583SS**  trans-40.7136171.3-174.20000112.8
78G35.3Very low47.8Very low78 Ų7891 Ų9180%0.80459%0.591SS**SBendtrans-56144.3-177.900000114.4
79G31.8Very low46.6Very low74 Ų7496.8 Ų96.876%0.76362%0.621SS**  trans152.693.5176.700000109.5F81G79-F81 PolarHBondContact O-N 2.94Å
80G41.8Very low45.7Very low72 Ų72101.7 Ų101.774%0.74265%0.646SS**  trans-64.5133178.600000111.5
81F32.6Very low44.4Very low210 Ų21099.3 Ų99.392%0.92164%0.636SS**  trans-167.4139.4158.2-111.6-84000108.7G79G79-F81 PolarHBondContact O-N 2.94Å
82G36.5Very low43.6Very low43 Ų43101.1 Ų101.144%0.44364%0.637SS.*SBendtrans60.1120.7143.600000119.6
83S38.7Very low42.5Very low87 Ų87102.1 Ų102.161%0.60866%0.661SS**  trans5.1130.5157-129.20000118.5M85 D86S83-M85 PolarHBondContact O-N 3.19Å; S83-D86 PolarHBondContact O-N 3.11Å
84P43Very low41.6Very low116 Ų11698 Ų9875%0.75366%0.66SS**THydrogen-bonded Turntrans-53.4-2.9178.5-27.234000118.3
85M44.8Very low41.6Very low113 Ų11398.8 Ų98.856%0.55767%0.668SS**THydrogen-bonded Turntrans-78.7-32.8172.6-67.1-72.7-86.500112.2S83 I87 F88 D89S83-M85 PolarHBondContact O-N 3.19Å; M85-I87 VanDerWaalsContact C-N 3.33Å; M85-I87 PolarHBondContact O-N 3.04Å; M85-F88 PolarHBondContact O-N 3.07Å; M85-D89 PolarHBondContact O-N 3.47Å
86D46Very low41.6Very low108 Ų10898.2 Ų98.258%0.57866%0.661SS**Hα-helixtrans-71-27.2-175.9-85.3-26000113.1S83 M90S83-D86 PolarHBondContact O-N 3.11Å; D86-M90 PolarHBondContact O-N 3.47Å
87I48.2Very low41.8Very low122 Ų122106.5 Ų106.563%0.62667%0.672SS**Hα-helixtrans-78-30178.7-64.2173.2000111M85 M90 F91M85-I87 VanDerWaalsContact C-N 3.33Å; M85-I87 PolarHBondContact O-N 3.04Å; I87-M90 PolarHBondContact O-N 3.18Å; I87-F91 PolarHBondContact O-N 3.01Å
88F40.3Very low42.1Very low78 Ų78109.2 Ų109.234%0.34267%0.673SS.*Hα-helixtrans-74.4-36.9179.1-151.4-97.1000111.5M85 M90 F91 F92M85-F88 PolarHBondContact O-N 3.07Å; F88-M90 VanDerWaalsContact C-N 3.28Å; F88-M90 PolarHBondContact O-N 3.05Å; F88-F91 PolarHBondContact O-N 3.29Å; F88-F92 HydrophobicContact CD1-CB 4.35Å; F88-F92 HydrophobicContact CD1-CD2 4.26Å; F88-F92 HydrophobicContact CD2-CD2 4.05Å; F88-F92 HydrophobicContact CD2-CE2 4.4Å; F88-F92 HydrophobicContact CE1-CB 4.15Å; F88-F92 AromaticContact CE1-CD2 3.76Å; F88-F92 HydrophobicContact CE1-CD2 3.76Å; F88-F92 HydrophobicContact CE1-CE2 4.33Å; F88-F92 HydrophobicContact CE1-CG 4.01Å; F88-F92 AromaticContact CE2-CD2 3.53Å; F88-F92 HydrophobicContact CE2-CD2 3.53Å; F88-F92 AromaticContact CE2-CE2 3.54Å; F88-F92 HydrophobicContact CE2-CE2 3.54Å; F88-F92 HydrophobicContact CG-CD2 4.38Å; F88-F92 AromaticContact CZ-CD2 3.36Å; F88-F92 HydrophobicContact CZ-CD2 3.36Å; F88-F92 AromaticContact CZ-CE2 3.49Å; F88-F92 HydrophobicContact CZ-CE2 3.49Å; F88-F92 VanDerWaalsContact CZ-CE2 3.49Å; F88-F92 AromaticContact CZ-CG 3.98Å; F88-F92 HydrophobicContact CZ-CG 3.98Å; F88-F92 HydrophobicContact CZ-CZ 4.23Å; F88-F92 PolarHBondContact O-N 2.84Å; F88-F92 VanDerWaalsContact O-N 3.15Å
89D52.2Low42.6Very low121 Ų121112.7 Ų112.765%0.64767%0.668SS**Hα-helixtrans-67.4-26.9173.5-79.8-32.6000113.1M85M85-D89 PolarHBondContact O-N 3.47Å
90M50.7Low43.5Very low169 Ų169119.6 Ų119.683%0.83367%0.671SS**Hα-helixtrans-77.6-25.3178.7-155.1176.7-150.700113.2D86 I87 F88D86-M90 PolarHBondContact O-N 3.47Å; I87-M90 PolarHBondContact O-N 3.18Å; F88-M90 VanDerWaalsContact C-N 3.28Å; F88-M90 PolarHBondContact O-N 3.05Å
91F40.8Very low44.3Very low132 Ų132121.9 Ų121.958%0.57966%0.663SS**Hα-helixtrans-112.5-27.8-168.5-142.9-85.7000114.8E53 I87 F88E53-F91 WeakPolarHBondContact OE1-CD1 3.48Å; E53-F91 VanDerWaalsContact OE1-CE1 3.27Å; E53-F91 WeakPolarHBondContact OE1-CE1 3.21Å; I87-F91 PolarHBondContact O-N 3.01Å; F88-F91 PolarHBondContact O-N 3.29Å
92F45.9Very low46.1Very low76 Ų76119.4 Ų119.433%0.33365%0.647SS.*SBendtrans-98.20.6-169.8-105.1-78.5000117.9E53 F88E53-F92 HydrophobicContact CB-CE2 3.63Å; E53-F92 HydrophobicContact CB-CZ 3.54Å; E53-F92 HydrophobicContact CG-CD2 4.4Å; E53-F92 HydrophobicContact CG-CE2 3.49Å; E53-F92 VanDerWaalsContact CG-CE2 3.49Å; E53-F92 HydrophobicContact CG-CZ 3.63Å; E53-F92 WeakPolarHBondContact OE2-CE2 3.47Å; F88-F92 HydrophobicContact CD1-CB 4.35Å; F88-F92 HydrophobicContact CD1-CD2 4.26Å; F88-F92 HydrophobicContact CD2-CD2 4.05Å; F88-F92 HydrophobicContact CD2-CE2 4.4Å; F88-F92 HydrophobicContact CE1-CB 4.15Å; F88-F92 AromaticContact CE1-CD2 3.76Å; F88-F92 HydrophobicContact CE1-CD2 3.76Å; F88-F92 HydrophobicContact CE1-CE2 4.33Å; F88-F92 HydrophobicContact CE1-CG 4.01Å; F88-F92 AromaticContact CE2-CD2 3.53Å; F88-F92 HydrophobicContact CE2-CD2 3.53Å; F88-F92 AromaticContact CE2-CE2 3.54Å; F88-F92 HydrophobicContact CE2-CE2 3.54Å; F88-F92 HydrophobicContact CG-CD2 4.38Å; F88-F92 AromaticContact CZ-CD2 3.36Å; F88-F92 HydrophobicContact CZ-CD2 3.36Å; F88-F92 AromaticContact CZ-CE2 3.49Å; F88-F92 HydrophobicContact CZ-CE2 3.49Å; F88-F92 VanDerWaalsContact CZ-CE2 3.49Å; F88-F92 AromaticContact CZ-CG 3.98Å; F88-F92 HydrophobicContact CZ-CG 3.98Å; F88-F92 HydrophobicContact CZ-CZ 4.23Å; F88-F92 PolarHBondContact O-N 2.84Å; F88-F92 VanDerWaalsContact O-N 3.15Å
93G42Very low48.1Very low74 Ų74123.4 Ų123.476%0.76365%0.649SS**SBendtrans162.429.2177.300000119
94G42.5Very low50.1Low60 Ų60119.7 Ų119.762%0.61962%0.624SS**  trans-103.419172.400000114.4G96G94-G96 VanDerWaalsContact C-N 3.32Å; G94-G96 CarbonylContact C-O 3.43Å; G94-G96 VanDerWaalsContact O-O 3.06Å
95G42Very low52.2Low83 Ų83123.2 Ų123.286%0.85663%0.628SS**  trans-83.5-3.6176.500000114.1R97G95-R97 PolarHBondContact O-N 3.3Å
96G43Very low54.4Low55 Ų55122 Ų12257%0.56762%0.624SS**SBendtrans-64.5125.3151.400000105G94 M98G94-G96 VanDerWaalsContact C-N 3.32Å; G94-G96 CarbonylContact C-O 3.43Å; G94-G96 VanDerWaalsContact O-O 3.06Å; G96-M98 PolarHBondContact O-N 3.42Å
97R43.8Very low56.5Low242 Ų242118.9 Ų118.991%0.91361%0.608SS**  trans-38.7105.6152.6-68.8171.1179.9164.30104.1G95 H99G95-R97 PolarHBondContact O-N 3.3Å; R97-H99 PolarHBondContact O-N 3.11Å
98M42.5Very low58.6Low181 Ų181117.4 Ų117.489%0.89261%0.605SS**  trans-61.498.7163.1-144.6-172.5-1740098.6G96 R100G96-M98 PolarHBondContact O-N 3.42Å; M98-R100 PolarHBondContact O-N 3.34Å
99H46Very low61.1Low150 Ų150116.5 Ų116.569%0.69460%0.601SS**  trans-56.189.5161.3-148.7-85.300098.6R97 E101R97-H99 PolarHBondContact O-N 3.11Å; H99-E101 PolarHBondContact O-N 2.67Å
100R50.8Low63.1Low220 Ų220117.8 Ų117.883%0.8360%0.603SS**  trans-51.6100.2158.2-118.8-176177.8174.40.898.3M98 R102M98-R100 PolarHBondContact O-N 3.34Å; R100-R102 PolarHBondContact O-N 3.13Å
101E57.2Low65.2Low120 Ų120110.5 Ų110.556%0.56157%0.568SS**  trans-48.1112.2174-72.8-173.1152.900101.2H99 R103H99-E101 PolarHBondContact O-N 2.67Å; E101-R103 HydrophobicContact CB-CB 4.22Å; E101-R103 HydrophobicContact CB-CG 3.94Å; E101-R103 PolarHBondContact O-N 3.17Å; E101-R103 IonicContact OE1-CZ 3.63Å; E101-R103 IonicContact OE1-NH1 2.91Å; E101-R103 PolarHBondContact OE1-NH1 3.46Å; E101-R103 IonicContact OE1-NH2 3.17Å; E101-R103 WeakPolarHBondContact OE2-CD 3.31Å; E101-R103 IonicContact OE2-CZ 3.5Å; E101-R103 IonicContact OE2-NE 2.65Å; E101-R103 IonicContact OE2-NH1 3.14Å; E101-R103 PolarHBondContact OE2-NH1 2.87Å
102R70.9Confident67.7Low157 Ų157107.6 Ų107.659%0.59256%0.561SS**  trans-74.355.8-177.5-70.1-173.6178.5-165.3-0104.9R100 L232 E233R100-R102 PolarHBondContact O-N 3.13Å; R102-L232 HydrophobicContact CB-CG 4.36Å; R102-L232 CarbonylContact O-C 3.55Å; R102-L232 WeakPolarHBondContact O-CA 3.34Å; R102-L232 WeakPolarHBondContact O-CB 3.14Å; R102-E233 PolarHBondContact O-N 3.38Å
103R79.4Confident70.1Confident128 Ų128104 Ų10448%0.48355%0.545SS..BIsolated β-bridgetrans-102.3134.1-173.5-79.7-179.9-175.8169.1-6.6107.4E101 E233E101-R103 HydrophobicContact CB-CB 4.22Å; E101-R103 HydrophobicContact CB-CG 3.94Å; E101-R103 PolarHBondContact O-N 3.17Å; E101-R103 IonicContact OE1-CZ 3.63Å; E101-R103 IonicContact OE1-NH1 2.91Å; E101-R103 PolarHBondContact OE1-NH1 3.46Å; E101-R103 IonicContact OE1-NH2 3.17Å; E101-R103 WeakPolarHBondContact OE2-CD 3.31Å; E101-R103 IonicContact OE2-CZ 3.5Å; E101-R103 IonicContact OE2-NE 2.65Å; E101-R103 IonicContact OE2-NH1 3.14Å; E101-R103 PolarHBondContact OE2-NH1 2.87Å; R103-E233 CarbonylContact C-O 3.56Å; R103-E233 VanDerWaalsContact CA-O 3.3Å; R103-E233 WeakPolarHBondContact CA-O 3.45Å; R103-E233 HydrophobicContact CG-CB 3.89Å; R103-E233 WeakPolarHBondContact CG-OE2 3.45Å; R103-E233 IonicContact NE-OE2 2.62Å; R103-E233 PolarHBondContact NE-OE2 2.63Å
104G80.3Confident72.6Confident9 Ų9101.8 Ų101.89%0.09352%0.518CS..PPolyproline II helixtrans-58.6160.817100000110.3E233 G235G104-E233 PolarHBondContact N-O 3.12Å; G104-G235 WeakPolarHBondContact O-CA 3.35Å
105K86.8Confident75Confident190 Ų19099 Ų9983%0.82649%0.489SS*.PPolyproline II helixtrans-67.3139.7177.5-63.6176.9-177.9176.20109.8
106N90.1Very high77.5Confident88 Ų8899.2 Ų99.247%0.47147%0.468SS..PPolyproline II helixtrans-69.5143.7173.1-63.5-15.8000110.4D236 I238N106-D236 CarbonylContact C-O 3.47Å; N106-D236 WeakPolarHBondContact CA-O 3.44Å; N106-D236 WeakPolarHBondContact CB-O 3.17Å; N106-D236 PolarHBondContact OD1-N 3.3Å; N106-I238 HydrophobicContact CB-CD1 4.17Å
107V90.3Very high79.9Confident42 Ų4298.4 Ų98.426%0.25545%0.45SS..EExtended strand (participates in β ladder)trans-108.2128.1177.8-1790000108.7D236 I237 I238V107-D236 PolarHBondContact N-O 3.23Å; V107-I237 HydrophobicContact CB-CG1 4.43Å; V107-I237 CarbonylContact O-C 3.55Å; V107-I237 WeakPolarHBondContact O-CA 3.04Å; V107-I238 PolarHBondContact O-N 2.83Å
108V92.6Very high82.2Confident91 Ų9187 Ų8755%0.55241%0.407SS*.EExtended strand (participates in β ladder)trans-101.6124.4178.6-175.10000109.5I238 V240V108-I238 CarbonylContact C-O 3.33Å; V108-I238 VanDerWaalsContact CA-O 3.3Å; V108-I238 WeakPolarHBondContact CA-O 3.49Å; V108-I238 HydrophobicContact CG2-CB 4.41Å; V108-V240 HydrophobicContact CG1-CG2 3.72Å
109H92.6Very high84.7Confident58 Ų5878.6 Ų78.627%0.26937%0.366SS..EExtended strand (participates in β ladder)trans-116.3131.4173.8-78.6-66.6000110.4L126 V128 I238 I239 V240H109-L126 HydrophobicContact CB-CD2 4.17Å; H109-V128 WeakPolarHBondContact NE2-CG1 3.45Å; H109-I238 PolarHBondContact N-O 3.19Å; H109-I239 HydrophobicContact CB-CG1 4.47Å; H109-I239 CarbonylContact O-C 3.59Å; H109-I239 VanDerWaalsContact O-CA 3.26Å; H109-I239 WeakPolarHBondContact O-CA 3.3Å; H109-V240 PolarHBondContact O-N 2.81Å
110Q94.1Very high86.9Confident148 Ų14874.6 Ų74.669%0.69235%0.35SS*.EExtended strand (participates in β ladder)trans-89.2125.1171.5-70.9175.1-23.800109.1V240Q110-V240 WeakPolarHBondContact CA-O 3.18Å
111L94.7Very high88.8Confident17 Ų1765.4 Ų65.49%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-108.6108.4174.6179.966.7000108.4V113 R124 V208 I210 I239 V240 L241 D242L111-V113 HydrophobicContact CD2-CG2 4.29Å; L111-V113 HydrophobicContact CG-CG2 4.06Å; L111-V113 WeakPolarHBondContact O-CG2 3.27Å; L111-V113 PolarHBondContact O-N 2.79Å; L111-R124 HydrophobicContact CD2-CB 4.33Å; L111-V208 HydrophobicContact CD2-CB 4.13Å; L111-V208 HydrophobicContact CD2-CG1 3.89Å; L111-V208 HydrophobicContact CD2-CG2 4.37Å; L111-I210 HydrophobicContact CD2-CD1 4.33Å; L111-I239 HydrophobicContact CB-CG2 3.58Å; L111-I239 HydrophobicContact CD2-CG2 4.25Å; L111-V240 PolarHBondContact N-O 3.4Å; L111-L241 HydrophobicContact CB-CD2 4.47Å; L111-L241 HydrophobicContact CD2-CD2 4.12Å; L111-D242 PolarHBondContact O-N 2.92Å
112T94.9Very high90.6Very high70 Ų7060.8 Ų60.843%0.42931%0.306SS..EExtended strand (participates in β ladder)trans-73.5122.1177.1-510000110.5R124 D242 R244T112-R124 PolarHBondContact O-NH1 3.42Å; T112-D242 CarbonylContact C-O 3.53Å; T112-D242 VanDerWaalsContact CA-O 3.26Å; T112-D242 WeakPolarHBondContact CA-O 3.46Å; T112-R244 HydrophobicContact CG2-CB 4.12Å
113V94.8Very high91.7Very high1 Ų157.2 Ų57.21%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-122.3142.8-175.6-173.70000110.3L111 D117 L118 I210 L241 D242 R244L111-V113 HydrophobicContact CD2-CG2 4.29Å; L111-V113 HydrophobicContact CG-CG2 4.06Å; L111-V113 WeakPolarHBondContact O-CG2 3.27Å; L111-V113 PolarHBondContact O-N 2.79Å; V113-D117 HydrophobicContact CG1-CB 3.48Å; V113-D117 VanDerWaalsContact CG1-CB 3.48Å; V113-L118 HydrophobicContact CG1-CD2 4Å; V113-L118 HydrophobicContact CG1-CG 3.86Å; V113-I210 HydrophobicContact CB-CD1 4.48Å; V113-I210 HydrophobicContact CG1-CD1 3.83Å; V113-I210 HydrophobicContact CG1-CG2 4.41Å; V113-I210 HydrophobicContact CG2-CD1 3.7Å; V113-L241 HydrophobicContact CG2-CD2 4.01Å; V113-D242 PolarHBondContact N-O 3.44Å; V113-R244 PolarHBondContact O-N 3.23Å
114S94.8Very high92.3Very high28 Ų2854.9 Ų54.920%0.19629%0.293CS..  trans-77.8157.4173.858.60000111.4E116 D117 L118S114-E116 PolarHBondContact O-N 3.28Å; S114-D117 PolarHBondContact O-N 2.84Å; S114-D117 WeakPolarHBondContact OG-CB 3.44Å; S114-D117 PolarHBondContact OG-N 3.02Å; S114-D117 PolarHBondContact OG-OD1 2.81Å; S114-D117 PolarHBondContact OG-OD2 2.97Å; S114-L118 PolarHBondContact O-N 3.27Å
115L94.1Very high92.9Very high1 Ų161.5 Ų61.51%0.00532%0.319CS..Hα-helixtrans-62.7-33.5174.8-171.265.2000112.1L118 F119 H246 F249 R251 L256 L278 M306L115-L118 PolarHBondContact O-N 3.01Å; L115-F119 WeakPolarHBondContact O-CB 3.41Å; L115-F119 PolarHBondContact O-N 2.96Å; L115-H246 HydrophobicContact CB-CB 4.29Å; L115-H246 HydrophobicContact CD2-CB 4.2Å; L115-F249 HydrophobicContact CD2-CB 3.58Å; L115-F249 HydrophobicContact CD2-CG 4.49Å; L115-R251 HydrophobicContact CD1-CB 3.95Å; L115-R251 HydrophobicContact CD1-CG 4.39Å; L115-L256 HydrophobicContact CD1-CD2 4.48Å; L115-L256 HydrophobicContact CD2-CD2 3.97Å; L115-L278 HydrophobicContact CD2-CD1 3.85Å; L115-L278 HydrophobicContact CD2-CD2 4.21Å; L115-L278 HydrophobicContact CG-CD1 3.81Å; L115-L278 HydrophobicContact CG-CD2 4.37Å; L115-M306 HydrophobicContact CD1-CE 4.02Å; L115-M306 HydrophobicContact CD1-SD 3.81Å; L115-M306 HydrophobicContact CG-SD 4.34Å
116E93.3Very high93.2Very high88 Ų8854.1 Ų54.141%0.41129%0.289SS..Hα-helixtrans-62.7-43.4175.2-64.8160.5-16300112.1S114 L118 F119 N120 H246 L278S114-E116 PolarHBondContact O-N 3.28Å; E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.04Å; E116-F119 WeakPolarHBondContact O-CB 3.01Å; E116-F119 PolarHBondContact O-N 3.02Å; E116-F119 VanDerWaalsContact O-N 3.13Å; E116-N120 WeakPolarHBondContact O-CB 3.39Å; E116-N120 PolarHBondContact O-N 3.36Å; E116-N120 PolarHBondContact O-ND2 3.3Å; E116-H246 IonicContact OE1-NE2 3.74Å; E116-L278 HydrophobicContact CG-CD2 3.89Å
117D93.9Very high93.3Very high37 Ų3753.3 Ų53.320%0.19829%0.294CS..Hα-helixtrans-64.3-37.3176.9-76-0.8000111.2V113 S114 F119 G121 A122 R124V113-D117 HydrophobicContact CG1-CB 3.48Å; V113-D117 VanDerWaalsContact CG1-CB 3.48Å; S114-D117 PolarHBondContact O-N 2.84Å; S114-D117 WeakPolarHBondContact OG-CB 3.44Å; S114-D117 PolarHBondContact OG-N 3.02Å; S114-D117 PolarHBondContact OG-OD1 2.81Å; S114-D117 PolarHBondContact OG-OD2 2.97Å; D117-F119 VanDerWaalsContact C-N 3.28Å; D117-F119 PolarHBondContact O-N 3.49Å; D117-G121 CarbonylContact O-C 3.55Å; D117-G121 WeakPolarHBondContact O-CA 3.27Å; D117-G121 PolarHBondContact O-N 3.16Å; D117-A122 HydrophobicContact CB-CB 3.87Å; D117-R124 IonicContact OD2-CZ 2.88Å; D117-R124 IonicContact OD2-NE 3.76Å; D117-R124 PolarHBondContact OD2-NE 2.99Å; D117-R124 IonicContact OD2-NH2 3.77Å; D117-R124 PolarHBondContact OD2-NH2 3.35Å
118L93.1Very high93.3Very high2 Ų251.7 Ų51.71%0.0128%0.284CS..Hα-helixtrans-70.8-25.8175.4-65.7171.3000112.5V113 S114 L115 E116 I210 G213 M214 L241 Q243 M306V113-L118 HydrophobicContact CG1-CD2 4Å; V113-L118 HydrophobicContact CG1-CG 3.86Å; S114-L118 PolarHBondContact O-N 3.27Å; L115-L118 PolarHBondContact O-N 3.01Å; E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.04Å; L118-I210 HydrophobicContact CD2-CG2 3.77Å; L118-G213 PolarHBondContact O-N 3Å; L118-M214 HydrophobicContact CD2-CB 3.99Å; L118-L241 HydrophobicContact CD2-CD1 4.39Å; L118-Q243 HydrophobicContact CD1-CB 4.14Å; L118-Q243 HydrophobicContact CD1-CG 3.74Å; L118-M306 HydrophobicContact CB-CE 3.87Å
119F93.5Very high93.2Very high6 Ų653.3 Ų53.33%0.02629%0.285CS..Hα-helixtrans-80.6-52.4178.1-165.3-75.3000111.5L115 E116 D117 K212 L256 L278 D279 G305 M306 P307 K315L115-F119 WeakPolarHBondContact O-CB 3.41Å; L115-F119 PolarHBondContact O-N 2.96Å; E116-F119 WeakPolarHBondContact O-CB 3.01Å; E116-F119 PolarHBondContact O-N 3.02Å; E116-F119 VanDerWaalsContact O-N 3.13Å; D117-F119 VanDerWaalsContact C-N 3.28Å; D117-F119 PolarHBondContact O-N 3.49Å; F119-K212 WeakPolarHBondContact O-CG 3.13Å; F119-L256 HydrophobicContact CD2-CD1 4.48Å; F119-L256 HydrophobicContact CE2-CD1 4.28Å; F119-L278 HydrophobicContact CB-CB 4.05Å; F119-L278 HydrophobicContact CB-CD1 4.12Å; F119-L278 HydrophobicContact CD1-CB 4.27Å; F119-L278 HydrophobicContact CD2-CB 3.88Å; F119-L278 HydrophobicContact CD2-CD1 3.5Å; F119-L278 HydrophobicContact CD2-CG 4.31Å; F119-L278 HydrophobicContact CE2-CB 4.37Å; F119-L278 HydrophobicContact CE2-CD1 4.2Å; F119-L278 HydrophobicContact CG-CB 3.79Å; F119-L278 HydrophobicContact CG-CD1 4.06Å; F119-D279 WeakPolarHBondContact CD1-OD1 3.47Å; F119-D279 WeakPolarHBondContact CE1-OD1 3.49Å; F119-D279 VanDerWaalsContact CE1-OD2 3.23Å; F119-D279 WeakPolarHBondContact CE1-OD2 3.43Å; F119-G305 WeakPolarHBondContact CE2-O 3.24Å; F119-M306 HydrophobicContact CB-CE 4.47Å; F119-M306 HydrophobicContact CD2-SD 3.77Å; F119-P307 HydrophobicContact CD1-CG 4.42Å; F119-P307 HydrophobicContact CD2-CG 4.44Å; F119-P307 HydrophobicContact CE1-CG 4.33Å; F119-P307 HydrophobicContact CE2-CG 4.48Å; F119-P307 HydrophobicContact CG-CG 4.45Å; F119-P307 HydrophobicContact CZ-CG 4.41Å; F119-K315 HydrophobicContact CZ-CD 4.28Å
120N91.8Very high93.1Very high65 Ų6551.5 Ų51.535%0.34828%0.277SS..Hα-helixtrans-84.7-19.6-174.7-69.1-50.7000113.2E116 K212 L278 D279E116-N120 WeakPolarHBondContact O-CB 3.39Å; E116-N120 PolarHBondContact O-N 3.36Å; E116-N120 PolarHBondContact O-ND2 3.3Å; N120-K212 WeakPolarHBondContact O-CE 3.47Å; N120-L278 PolarHBondContact ND2-O 3.15Å; N120-D279 PolarHBondContact OD1-OD1 3.11Å
121G92.5Very high93Very high28 Ų2845.8 Ų45.829%0.28925%0.251SS..  trans76.7141.3-166.600000110.6D117 I210D117-G121 CarbonylContact O-C 3.55Å; D117-G121 WeakPolarHBondContact O-CA 3.27Å; D117-G121 PolarHBondContact O-N 3.16Å; G121-I210 CarbonylContact C-O 3.58Å; G121-I210 WeakPolarHBondContact CA-O 3.48Å
122A93.4Very high92.8Very high22 Ų2246 Ų4618%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-147.2156.8-178.200000110.7D117 I210D117-A122 HydrophobicContact CB-CB 3.87Å; A122-I210 PolarHBondContact N-O 3.1Å; A122-I210 WeakPolarHBondContact O-CA 3.31Å; A122-I210 WeakPolarHBondContact O-CB 3.42Å; A122-I210 PolarHBondContact O-N 3.38Å
123T94.3Very high92.6Very high82 Ų8245.3 Ų45.350%0.50325%0.246SC..EExtended strand (participates in β ladder)trans-114.4119.1168.8-58.90000108.4E207 V208 H209T123-E207 HydrophobicContact CG2-CB 4.44Å; T123-V208 WeakPolarHBondContact CA-O 3.44Å; T123-H209 WeakPolarHBondContact CG2-ND1 3.44Å; T123-H209 PolarHBondContact OG1-ND1 2.87Å
124R92.6Very high92.4Very high80 Ų8045.3 Ų45.330%0.30225%0.246SC..EExtended strand (participates in β ladder)trans-111.4135.6-179-72.1-168.6171.5-147.76.8110.8L111 T112 D117 V208 I210L111-R124 HydrophobicContact CD2-CB 4.33Å; T112-R124 PolarHBondContact O-NH1 3.42Å; D117-R124 IonicContact OD2-CZ 2.88Å; D117-R124 IonicContact OD2-NE 3.76Å; D117-R124 PolarHBondContact OD2-NE 2.99Å; D117-R124 IonicContact OD2-NH2 3.77Å; D117-R124 PolarHBondContact OD2-NH2 3.35Å; R124-V208 PolarHBondContact N-O 3.28Å; R124-V208 PolarHBondContact O-N 3.23Å; R124-I210 HydrophobicContact CB-CD1 4.39Å; R124-I210 HydrophobicContact CG-CD1 3.9Å
125K93.7Very high92.1Very high147 Ų14751.7 Ų51.764%0.63927%0.273SS*.EExtended strand (participates in β ladder)trans-95115.2177.5-62.2-169.9179.6-157.90109.4I205 L206 E207K125-I205 HydrophobicContact CB-CG2 3.81Å; K125-I205 HydrophobicContact CD-CG2 4.37Å; K125-I205 HydrophobicContact CG-CG2 4.36Å; K125-L206 WeakPolarHBondContact CA-O 3.26Å; K125-E207 WeakPolarHBondContact CE-OE1 3.46Å; K125-E207 HydrophobicContact CG-CG 4.32Å; K125-E207 IonicContact NZ-OE1 2.76Å; K125-E207 PolarHBondContact NZ-OE1 2.98Å
126L91.8Very high91.7Very high36 Ų3661.1 Ų61.119%0.18831%0.308CS..EExtended strand (participates in β ladder)trans-104.5118.7177.1-176.368.1000109.8H109 V128 I205 L206 V208 I239H109-L126 HydrophobicContact CB-CD2 4.17Å; L126-V128 HydrophobicContact CD2-CG2 3.78Å; L126-V128 HydrophobicContact CG-CG2 3.9Å; L126-V128 PolarHBondContact O-N 2.98Å; L126-I205 WeakPolarHBondContact O-CA 3.2Å; L126-L206 PolarHBondContact N-O 2.8Å; L126-L206 PolarHBondContact O-N 2.67Å; L126-V208 HydrophobicContact CB-CG2 4.3Å; L126-I239 HydrophobicContact CD2-CD1 3.66Å; L126-I239 HydrophobicContact CD2-CG1 4.31Å
127A92Very high91.3Very high71 Ų7157 Ų5759%0.58729%0.29SS*.EExtended strand (participates in β ladder)trans-84.3107.3172.800000109.9
128V91.4Very high90.9Very high7 Ų760.8 Ų60.84%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-100137.4176.3-176.70000110H109 L126 K204 L206 I237H109-V128 WeakPolarHBondContact NE2-CG1 3.45Å; L126-V128 HydrophobicContact CD2-CG2 3.78Å; L126-V128 HydrophobicContact CG-CG2 3.9Å; L126-V128 PolarHBondContact O-N 2.98Å; V128-K204 PolarHBondContact N-O 3.18Å; V128-K204 PolarHBondContact O-N 3.13Å; V128-L206 HydrophobicContact CG2-CD1 3.91Å; V128-L206 HydrophobicContact CG2-CG 4.46Å; V128-I237 HydrophobicContact CB-CD1 4.34Å; V128-I237 HydrophobicContact CG1-CD1 3.78Å; V128-I237 HydrophobicContact CG2-CD1 4.42Å
129Q90.4Very high90.4Very high125 Ų12561.1 Ų61.158%0.58431%0.31SS*.EExtended strand (participates in β ladder)trans-91.1120.5168.8-66.5-175.31000108.4K203Q129-K203 HydrophobicContact CG-CG 3.99Å
130K90.3Very high90Very high20 Ų2064.4 Ų64.49%0.08732%0.322CS..EExtended strand (participates in β ladder)trans-127.3151.6175.871.1177.7-170.9172.70112.2V132 Q202 E225 D227K130-V132 HydrophobicContact CD-CG2 4.37Å; K130-V132 HydrophobicContact CG-CG2 3.95Å; K130-Q202 PolarHBondContact N-O 3.32Å; K130-Q202 PolarHBondContact O-N 2.81Å; K130-E225 WeakPolarHBondContact CD-O 3.48Å; K130-E225 IonicContact NZ-OE2 2.85Å; K130-E225 PolarHBondContact NZ-OE2 3.03Å; K130-D227 WeakPolarHBondContact CA-OD1 3.46Å
131N91Very high89.5Confident29 Ų2961.3 Ų61.316%0.15531%0.305CS..EExtended strand (participates in β ladder)trans-80.1128.2169-63-50.6000109.2I199 L200 R201 D227 Q228N131-I199 HydrophobicContact CB-CB 4.42Å; N131-I199 HydrophobicContact CB-CD1 4.05Å; N131-L200 WeakPolarHBondContact CA-O 3.21Å; N131-R201 VanDerWaalsContact OD1-CG 3.26Å; N131-R201 WeakPolarHBondContact OD1-CG 3.27Å; N131-D227 HydrophobicContact CB-CB 4.27Å; N131-D227 PolarHBondContact N-OD1 3.21Å; N131-D227 PolarHBondContact ND2-OD1 2.8Å; N131-D227 PolarHBondContact ND2-OD2 3.26Å; N131-Q228 WeakPolarHBondContact O-CB 3.21Å; N131-Q228 PolarHBondContact O-N 2.88Å
132V91.6Very high89.1Confident20 Ų2060.2 Ų60.212%0.12129%0.294CS..EExtended strand (participates in β ladder)trans-120.1144.3176.1-177.30000108.3K130 C134 I199 L200 Q202K130-V132 HydrophobicContact CD-CG2 4.37Å; K130-V132 HydrophobicContact CG-CG2 3.95Å; V132-C134 PolarHBondContact O-N 2.92Å; V132-I199 CarbonylContact O-C 3.54Å; V132-I199 WeakPolarHBondContact O-CA 3.18Å; V132-L200 PolarHBondContact N-O 3.34Å; V132-L200 PolarHBondContact O-N 3.26Å; V132-Q202 HydrophobicContact CG2-CB 4.07Å
133I90.8Very high88.6Confident57 Ų5767.2 Ų67.229%0.29232%0.316SS..EExtended strand (participates in β ladder)trans-58.7131.7175.7-65.3170.8000109.2E135 G139 Q228I133-E135 PolarHBondContact O-N 3.25Å; I133-G139 VanDerWaalsContact CG2-N 3.34Å; I133-Q228 HydrophobicContact CG1-CB 4.07Å; I133-Q228 VanDerWaalsContact N-OE1 3.13Å
134C89.6Confident87.9Confident0 Ų070.9 Ų70.90%033%0.325CS..  trans-65.7110.6-177.2178.10000110.7V132 R136 C137 E138 C194 K198 L200V132-C134 PolarHBondContact O-N 2.92Å; C134-R136 VanDerWaalsContact C-N 3.25Å; C134-R136 PolarHBondContact O-N 3.27Å; C134-C137 VanDerWaalsContact CB-SG 3.58Å; C134-C137 PolarHBondContact O-N 3.3Å; C134-C137 VanDerWaalsContact O-N 3.11Å; C134-E138 WeakPolarHBondContact O-CA 3.03Å; C134-E138 PolarHBondContact O-N 3.17Å; C134-C194 HydrophobicContact CB-CB 3.98Å; C134-K198 WeakPolarHBondContact CB-O 3.33Å; C134-K198 PolarHBondContact N-O 2.88Å; C134-L200 HydrophobicContact CB-CD1 4.18Å; C134-L200 HydrophobicContact CB-CG 3.98Å
135E88.3Confident87.1Confident162 Ų16271 Ų7176%0.75735%0.35SS*.THydrogen-bonded Turntrans-54-39.4-179.3-63.2176.6176.600112.7I133 C137I133-E135 PolarHBondContact O-N 3.25Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.94Å
136R87.3Confident86.3Confident199 Ų19964.8 Ų64.875%0.75133%0.327SS*.THydrogen-bonded Turntrans-66.8-24.1-178-64.7-167.5-173.4176.3-1.5114.7C134C134-R136 VanDerWaalsContact C-N 3.25Å; C134-R136 PolarHBondContact O-N 3.27Å
137C84.8Confident85.6Confident3 Ų365.3 Ų65.32%0.0233%0.331CS..THydrogen-bonded Turntrans-123.20.7-179.8700000113.5C134 E135 G139 R140 G141 C191 C194C134-C137 VanDerWaalsContact CB-SG 3.58Å; C134-C137 PolarHBondContact O-N 3.3Å; C134-C137 VanDerWaalsContact O-N 3.11Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.94Å; C137-G139 PolarHBondContact O-N 2.74Å; C137-R140 VanDerWaalsContact O-CB 3.24Å; C137-R140 WeakPolarHBondContact O-CB 3.4Å; C137-R140 WeakPolarHBondContact O-CG 3.32Å; C137-R140 PolarHBondContact O-N 2.73Å; C137-R140 PolarHBondContact O-NE 3.42Å; C137-R140 VanDerWaalsContact O-NE 3.15Å; C137-G141 PolarHBondContact SG-N 3.46Å; C137-G141 VanDerWaalsContact SG-N 3.38Å; C137-C191 HydrophobicContact CB-CB 3.95Å; C137-C194 VanDerWaalsContact SG-SG 3.67Å
138E84.5Confident84.9Confident115 Ų11568.1 Ų68.154%0.53733%0.332SS..THydrogen-bonded Turntrans48.541.9-177.2-62.1156.2-139.200111.9C134 R140C134-E138 WeakPolarHBondContact O-CA 3.03Å; C134-E138 PolarHBondContact O-N 3.17Å; E138-R140 VanDerWaalsContact C-N 3.26Å; E138-R140 PolarHBondContact O-N 3.04Å; E138-R140 IonicContact OE1-NH2 3.26Å; E138-R140 PolarHBondContact OE1-NH2 3.3Å; E138-R140 VanDerWaalsContact OE1-NH2 3.08Å; E138-R140 IonicContact OE2-CZ 2.89Å; E138-R140 IonicContact OE2-NH1 3.96Å; E138-R140 PolarHBondContact OE2-NH1 3.15Å; E138-R140 IonicContact OE2-NH2 3.52Å; E138-R140 PolarHBondContact OE2-NH2 3.46Å
139G83.1Confident84.2Confident9 Ų974.7 Ų74.79%0.09337%0.365CS..THydrogen-bonded Turntrans74.56.4-179.800000115.7I133 C137 K198I133-G139 VanDerWaalsContact CG2-N 3.34Å; C137-G139 PolarHBondContact O-N 2.74Å; G139-K198 WeakPolarHBondContact O-CB 3.38Å; G139-K198 WeakPolarHBondContact O-CD 3.37Å; G139-K198 WeakPolarHBondContact O-CG 3.43Å
140R84.1Confident83.6Confident75 Ų7569 Ų6928%0.28334%0.338SS..SBendtrans-78.1-29.6176.9-64.6178.3-76.8-111.2-3.8113.4C137 E138 G142 V147 K198C137-R140 VanDerWaalsContact O-CB 3.24Å; C137-R140 WeakPolarHBondContact O-CB 3.4Å; C137-R140 WeakPolarHBondContact O-CG 3.32Å; C137-R140 PolarHBondContact O-N 2.73Å; C137-R140 PolarHBondContact O-NE 3.42Å; C137-R140 VanDerWaalsContact O-NE 3.15Å; E138-R140 VanDerWaalsContact C-N 3.26Å; E138-R140 PolarHBondContact O-N 3.04Å; E138-R140 IonicContact OE1-NH2 3.26Å; E138-R140 PolarHBondContact OE1-NH2 3.3Å; E138-R140 VanDerWaalsContact OE1-NH2 3.08Å; E138-R140 IonicContact OE2-CZ 2.89Å; E138-R140 IonicContact OE2-NH1 3.96Å; E138-R140 PolarHBondContact OE2-NH1 3.15Å; E138-R140 IonicContact OE2-NH2 3.52Å; E138-R140 PolarHBondContact OE2-NH2 3.46Å; R140-G142 VanDerWaalsContact C-N 3.26Å; R140-G142 PolarHBondContact O-N 3.39Å; R140-V147 HydrophobicContact CB-CG2 4.48Å; R140-K198 WeakPolarHBondContact O-CE 3.41Å
141G82.1Confident83.1Confident0 Ų076 Ų760%037%0.373CS..SBendtrans84.6-10.5179.900000114.7C137 C191 G196C137-G141 PolarHBondContact SG-N 3.46Å; C137-G141 VanDerWaalsContact SG-N 3.38Å; G141-C191 WeakPolarHBondContact O-CB 3.26Å; G141-C191 PolarHBondContact O-N 3.34Å; G141-G196 WeakPolarHBondContact O-CA 3.18Å
142G84.9Confident82.4Confident5 Ų578.4 Ų78.45%0.05239%0.393CS..BIsolated β-bridgetrans-148.7-174.8177.100000112.5R140 D189R140-G142 VanDerWaalsContact C-N 3.26Å; R140-G142 PolarHBondContact O-N 3.39Å; G142-D189 WeakPolarHBondContact CA-O 3.42Å
143R82.5Confident81.6Confident170 Ų17077.9 Ų77.964%0.64239%0.389SS*.SBendtrans-61.5153.4171.5-70.2179.1175.5-175-3.2110.8G145 A146 D189R143-G145 PolarHBondContact O-N 3.43Å; R143-A146 HydrophobicContact CB-CB 4.12Å; R143-A146 WeakPolarHBondContact O-CB 3.36Å; R143-A146 PolarHBondContact O-N 3.21Å; R143-D189 PolarHBondContact N-O 3.25Å; R143-D189 VanDerWaalsContact N-O 3.15Å
144K78.6Confident80.9Confident159 Ų15985.6 Ų85.669%0.69142%0.415SS*.THydrogen-bonded Turntrans-56.2125.5176.1-70.1-177.1178.6-179.20109.1A146K144-A146 VanDerWaalsContact C-N 3.34Å; K144-A146 PolarHBondContact O-N 3.14Å
145G76.7Confident80Confident81 Ų8187.3 Ų87.384%0.83543%0.433SS*.THydrogen-bonded Turntrans84.3-8.4-17800000116.2R143 V147R143-G145 PolarHBondContact O-N 3.43Å; G145-V147 VanDerWaalsContact C-N 3.29Å; G145-V147 PolarHBondContact O-N 3.36Å
146A76.8Confident79.3Confident18 Ų1884.5 Ų84.515%0.14943%0.427CS..  trans-88.35.4-17900000114.4R143 K144 D189R143-A146 HydrophobicContact CB-CB 4.12Å; R143-A146 WeakPolarHBondContact O-CB 3.36Å; R143-A146 PolarHBondContact O-N 3.21Å; K144-A146 VanDerWaalsContact C-N 3.34Å; K144-A146 PolarHBondContact O-N 3.14Å; A146-D189 HydrophobicContact CB-CB 3.49Å; A146-D189 VanDerWaalsContact CB-CB 3.49Å
147V76.6Confident78.7Confident46 Ų4675.6 Ų75.628%0.27940%0.397SS..EExtended strand (participates in β ladder)trans-97.5105.8179.6-175.60000107.5R140 G145 Q183 I185R140-V147 HydrophobicContact CB-CG2 4.48Å; G145-V147 VanDerWaalsContact C-N 3.29Å; G145-V147 PolarHBondContact O-N 3.36Å; V147-Q183 HydrophobicContact CG1-CB 3.71Å; V147-Q183 HydrophobicContact CG1-CG 3.83Å; V147-Q183 VanDerWaalsContact CG1-OE1 3.27Å; V147-I185 HydrophobicContact CG1-CG1 4.37Å; V147-I185 HydrophobicContact CG2-CD1 4.11Å; V147-I185 HydrophobicContact CG2-CG1 4.16Å
148E78.4Confident78.6Confident130 Ų13079.4 Ų79.461%0.60742%0.416SS*.EExtended strand (participates in β ladder)trans-98.4149.5179.4-66.9176.3179.500110.5Q183 R184E148-Q183 CarbonylContact O-C 3.58Å; E148-Q183 WeakPolarHBondContact O-CA 3.26Å; E148-R184 PolarHBondContact N-O 3.01Å; E148-R184 PolarHBondContact O-N 3.02Å
149M76.3Confident78.4Confident146 Ų14676.2 Ų76.272%0.71940%0.401SS*.EExtended strand (participates in β ladder)trans-71.1133.2171.5-70.5-171.3-66.900109.9M151M149-M151 PolarHBondContact O-N 2.88Å
150C78.4Confident78.2Confident4 Ų480.2 Ų80.23%0.02742%0.424CS..  trans-72114179.9-1760000110.4S152 C153 R154 C180 G182 R184C150-S152 VanDerWaalsContact C-N 3.25Å; C150-S152 PolarHBondContact O-N 2.95Å; C150-C153 VanDerWaalsContact CB-SG 3.54Å; C150-C153 PolarHBondContact O-N 3.23Å; C150-C153 VanDerWaalsContact SG-SG 3.65Å; C150-R154 VanDerWaalsContact O-CA 3.24Å; C150-R154 WeakPolarHBondContact O-CA 3.27Å; C150-R154 PolarHBondContact O-N 2.79Å; C150-C180 HydrophobicContact CB-CB 3.59Å; C150-C180 WeakPolarHBondContact CB-SG 3.4Å; C150-C180 WeakPolarHBondContact SG-CB 3.43Å; C150-C180 CovalentContact SG-SG 2.04Å; C150-C180 PolarHBondContact SG-SG 3.26Å; C150-G182 VanDerWaalsContact CB-O 3.25Å; C150-G182 WeakPolarHBondContact CB-O 3.4Å; C150-G182 PolarHBondContact N-O 2.96Å; C150-G182 VanDerWaalsContact N-O 3.11Å; C150-R184 HydrophobicContact CB-CB 4.49Å
151M78.5Confident78Confident168 Ų16884.1 Ų84.183%0.82844%0.439SS*.THydrogen-bonded Turntrans-62-29.8-175.4-67.7-59.2-149.400114.1M149M149-M151 PolarHBondContact O-N 2.88Å
152S76.5Confident77.9Confident80 Ų8089.5 Ų89.556%0.55947%0.467SS*.THydrogen-bonded Turntrans-76.3-24.3-176.9-46.20000113.8C150 Q159C150-S152 VanDerWaalsContact C-N 3.25Å; C150-S152 PolarHBondContact O-N 2.95Å; S152-Q159 VanDerWaalsContact CB-NE2 3.32Å
153C74Confident77.7Confident8 Ų894.5 Ų94.55%0.05449%0.488CS..THydrogen-bonded Turntrans-120.32.1175.267.50000112.8C150 G155 T156 G157 I158 C177 C180C150-C153 VanDerWaalsContact CB-SG 3.54Å; C150-C153 PolarHBondContact O-N 3.23Å; C150-C153 VanDerWaalsContact SG-SG 3.65Å; C153-G155 PolarHBondContact O-N 2.82Å; C153-G155 VanDerWaalsContact O-N 3.16Å; C153-T156 WeakPolarHBondContact O-CB 3.39Å; C153-T156 PolarHBondContact O-N 2.82Å; C153-T156 PolarHBondContact O-OG1 2.91Å; C153-G157 PolarHBondContact SG-N 2.99Å; C153-I158 WeakPolarHBondContact CB-O 3.47Å; C153-C177 HydrophobicContact CB-CB 4.14Å; C153-C180 PolarHBondContact SG-SG 3.17Å
154R76.2Confident77.4Confident219 Ų21993.8 Ų93.883%0.82649%0.492SS*.THydrogen-bonded Turntrans46.843.4-177.7-58.6-178.4179.9179.8-0.6113.6C150 T156C150-R154 VanDerWaalsContact O-CA 3.24Å; C150-R154 WeakPolarHBondContact O-CA 3.27Å; C150-R154 PolarHBondContact O-N 2.79Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 2.84Å
155G71.8Confident77.4Confident37 Ų3791 Ų9138%0.38148%0.484SS..THydrogen-bonded Turntrans88.2-12.618000000115.8C153 G182C153-G155 PolarHBondContact O-N 2.82Å; C153-G155 VanDerWaalsContact O-N 3.16Å; G155-G182 VanDerWaalsContact CA-O 3.27Å; G155-G182 WeakPolarHBondContact CA-O 3.42Å; G155-G182 WeakPolarHBondContact O-CA 3.27Å
156T72.4Confident77.8Confident103 Ų10388.6 Ų88.663%0.63246%0.46SS*.SBendtrans-83.8-17.1-173.759.50000114.7C153 R154 I158C153-T156 WeakPolarHBondContact O-CB 3.39Å; C153-T156 PolarHBondContact O-N 2.82Å; C153-T156 PolarHBondContact O-OG1 2.91Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 2.84Å; T156-I158 PolarHBondContact O-N 2.8Å; T156-I158 PolarHBondContact OG1-O 2.85Å
157G75.3Confident77.7Confident12 Ų1294.4 Ų94.412%0.12450%0.496CS..SBendtrans74.21.1179.200000115.4C153 C177 G182C153-G157 PolarHBondContact SG-N 2.99Å; G157-C177 WeakPolarHBondContact O-CB 3.35Å; G157-C177 PolarHBondContact O-N 3.02Å; G157-G182 VanDerWaalsContact CA-N 3.34Å
158I82.4Confident77.8Confident82 Ų8296.5 Ų96.542%0.42153%0.527SS..EExtended strand (participates in β ladder)trans-126.6140.9-179.3-59174.1000109C153 T156C153-I158 WeakPolarHBondContact CB-O 3.47Å; T156-I158 PolarHBondContact O-N 2.8Å; T156-I158 PolarHBondContact OG1-O 2.85Å
159Q80.3Confident77.6Confident49 Ų4996.2 Ų96.223%0.22953%0.527CS..EExtended strand (participates in β ladder)trans-111.3127.3171.3-68.8-177.2-3.900109.1S152 T175 C177S152-Q159 VanDerWaalsContact CB-NE2 3.32Å; Q159-T175 PolarHBondContact N-O 2.88Å; Q159-T175 PolarHBondContact O-N 2.89Å; Q159-C177 HydrophobicContact CG-CB 4.11Å; Q159-C177 PolarHBondContact NE2-SG 2.85Å
160V80.2Confident77.7Confident92 Ų9293.4 Ų93.456%0.55852%0.518SS*.EExtended strand (participates in β ladder)trans-88.4114.1173.9-175.60000108Q172V160-Q172 HydrophobicContact CG1-CB 3.91Å; V160-Q172 HydrophobicContact CG1-CG 4.1Å
161R78.4Confident77.8Confident158 Ų15898.3 Ų98.360%0.59654%0.54SS*.EExtended strand (participates in β ladder)trans-105131.6173.5-69.9-172.2179.9-174.40.3109.3H163 V173R161-H163 PolarHBondContact O-N 2.71Å; R161-V173 PolarHBondContact N-O 2.94Å; R161-V173 PolarHBondContact O-N 2.98Å
162L80.4Confident77.9Confident113 Ų11397.3 Ų97.359%0.59253%0.534SS*.EExtended strand (participates in β ladder)trans-80.4115173.2-71.8156.1000108.3V170 Q172L162-V170 HydrophobicContact CD2-CB 4.24Å; L162-V170 HydrophobicContact CD2-CG2 4.47Å; L162-Q172 HydrophobicContact CD2-CG 3.53Å; L162-Q172 HydrophobicContact CG-CG 4.47Å
163H81.4Confident78.2Confident109 Ų10996.1 Ų96.151%0.50552%0.523SS..EExtended strand (participates in β ladder)trans-98.4114.4174.7-159.464.6000108.7R161 L165 Q171 V173R161-H163 PolarHBondContact O-N 2.71Å; H163-L165 PolarHBondContact O-N 2.9Å; H163-Q171 PolarHBondContact N-O 3.14Å; H163-Q171 PolarHBondContact O-N 3.27Å; H163-V173 HydrophobicContact CB-CG2 3.84Å
164Q76.2Confident78.4Confident155 Ų15599.8 Ų99.872%0.72455%0.549SS*.EExtended strand (participates in β ladder)trans-83.8110.4176-81.5176.88.400109V170Q164-V170 HydrophobicContact CG-CG1 3.52Å
165L79.2Confident78.8Confident100 Ų10092.3 Ų92.352%0.52453%0.527SS..EExtended strand (participates in β ladder)trans-90.7-6.9177.9-72.5159.1000112.1H163 M169 Q171H163-L165 PolarHBondContact O-N 2.9Å; L165-M169 HydrophobicContact CB-CE 4.29Å; L165-M169 PolarHBondContact N-O 2.84Å; L165-M169 VanDerWaalsContact N-O 3.11Å; L165-Q171 HydrophobicContact CD1-CB 3.92Å
166G84.9Confident79.3Confident31 Ų3196.2 Ų96.232%0.3254%0.543SS..EExtended strand (participates in β ladder)trans169.9179.3176.300000113G168 M169G166-G168 PolarHBondContact O-N 2.89Å; G166-G168 VanDerWaalsContact O-N 3.15Å; G166-M169 PolarHBondContact O-N 2.99Å
167P72.9Confident79.5Confident141 Ų14191.9 Ų91.992%0.91652%0.517SS*.THydrogen-bonded Turntrans-59117.5175.7-18.931.1000110.4M169P167-M169 PolarHBondContact O-N 2.93Å
168G80.3Confident79.2Confident89 Ų8995.4 Ų95.492%0.91855%0.554SS**THydrogen-bonded Turntrans82.8-1.8178.100000116.3G166G166-G168 PolarHBondContact O-N 2.89Å; G166-G168 VanDerWaalsContact O-N 3.15Å
169M72.7Confident78.4Confident124 Ų12494.8 Ų94.861%0.61157%0.568SS**EExtended strand (participates in β ladder)trans-120.5102.2-178.3-142.3172.174.800111.6L165 G166 P167L165-M169 HydrophobicContact CB-CE 4.29Å; L165-M169 PolarHBondContact N-O 2.84Å; L165-M169 VanDerWaalsContact N-O 3.11Å; G166-M169 PolarHBondContact O-N 2.99Å; P167-M169 PolarHBondContact O-N 2.93Å
170V80.1Confident77.8Confident87 Ų8793.1 Ų93.153%0.52756%0.561SS.*EExtended strand (participates in β ladder)trans-105127174.8-740000110.4L162 Q164L162-V170 HydrophobicContact CD2-CB 4.24Å; L162-V170 HydrophobicContact CD2-CG2 4.47Å; Q164-V170 HydrophobicContact CG-CG1 3.52Å
171Q80.1Confident77.2Confident108 Ų10897.6 Ų97.651%0.50558%0.576SS.*EExtended strand (participates in β ladder)trans-102.4128.1168.9-170.6177.621.500109.3H163 L165 V173H163-Q171 PolarHBondContact N-O 3.14Å; H163-Q171 PolarHBondContact O-N 3.27Å; L165-Q171 HydrophobicContact CD1-CB 3.92Å; Q171-V173 HydrophobicContact CG-CG2 4.27Å; Q171-V173 PolarHBondContact O-N 3.4Å
172Q79.9Confident76.7Confident147 Ų14790.2 Ų90.269%0.68755%0.549SS*.EExtended strand (participates in β ladder)trans-78.8111.3169.6-74.5-178.3-8.200109V160 L162V160-Q172 HydrophobicContact CG1-CB 3.91Å; V160-Q172 HydrophobicContact CG1-CG 4.1Å; L162-Q172 HydrophobicContact CD2-CG 3.53Å; L162-Q172 HydrophobicContact CG-CG 4.47Å
173V82.5Confident76.4Confident54 Ų5488.4 Ų88.433%0.32754%0.537SS..EExtended strand (participates in β ladder)trans-103.8117.3176.5-177.60000108.5R161 H163 Q171R161-V173 PolarHBondContact N-O 2.94Å; R161-V173 PolarHBondContact O-N 2.98Å; H163-V173 HydrophobicContact CB-CG2 3.84Å; Q171-V173 HydrophobicContact CG-CG2 4.27Å; Q171-V173 PolarHBondContact O-N 3.4Å
174S79.8Confident76.2Confident86 Ų8690.7 Ų90.760%0.60154%0.542SS*.EExtended strand (participates in β ladder)trans-82.2116.8174.160.30000110.2
175T83.8Confident76.4Confident61 Ų6184.4 Ų84.437%0.37451%0.513SS..EExtended strand (participates in β ladder)trans-111.8139.9176-45.90000110Q159 C177Q159-T175 PolarHBondContact N-O 2.88Å; Q159-T175 PolarHBondContact O-N 2.89Å; T175-C177 PolarHBondContact O-N 3.11Å
176V81.4Confident76.5Confident119 Ų11982.6 Ų82.672%0.72151%0.509SS*.EExtended strand (participates in β ladder)trans-58.2135.7171.5-77.10000110.5G178V176-G178 PolarHBondContact O-N 3.12Å
177C77.7Confident76.2Confident12 Ų1288.3 Ų88.38%0.08153%0.527CS..  trans-68.1109.2-177.1-173.70000110.3C153 G157 Q159 T175 G179 C180C153-C177 HydrophobicContact CB-CB 4.14Å; G157-C177 WeakPolarHBondContact O-CB 3.35Å; G157-C177 PolarHBondContact O-N 3.02Å; Q159-C177 HydrophobicContact CG-CB 4.11Å; Q159-C177 PolarHBondContact NE2-SG 2.85Å; T175-C177 PolarHBondContact O-N 3.11Å; C177-G179 PolarHBondContact O-N 3.5Å; C177-C180 WeakPolarHBondContact CB-O 3.47Å; C177-C180 PolarHBondContact O-N 3.3Å; C177-C180 VanDerWaalsContact O-N 3.15Å; C177-C180 PolarHBondContact SG-SG 3.49Å
178G68.7Low76.6Confident87 Ų8790.5 Ų90.590%0.89752%0.522SS*.THydrogen-bonded Turntrans-61.8-11.6-170.700000116.3V176V176-G178 PolarHBondContact O-N 3.12Å
179G65.4Low76.8Confident69 Ų6988.5 Ų88.571%0.71149%0.49SS*.THydrogen-bonded Turntrans-115.6-3.5178.800000115.6C177C177-G179 PolarHBondContact O-N 3.5Å
180C67.9Low77.3Confident13 Ų1388 Ų889%0.08848%0.482CS..  trans-160.9145.7-176.965.60000113.3C150 C153 C177 G182C150-C180 HydrophobicContact CB-CB 3.59Å; C150-C180 WeakPolarHBondContact CB-SG 3.4Å; C150-C180 WeakPolarHBondContact SG-CB 3.43Å; C150-C180 CovalentContact SG-SG 2.04Å; C150-C180 PolarHBondContact SG-SG 3.26Å; C153-C180 PolarHBondContact SG-SG 3.17Å; C177-C180 WeakPolarHBondContact CB-O 3.47Å; C177-C180 PolarHBondContact O-N 3.3Å; C177-C180 VanDerWaalsContact O-N 3.15Å; C177-C180 PolarHBondContact SG-SG 3.49Å; C180-G182 VanDerWaalsContact C-N 3.29Å; C180-G182 PolarHBondContact O-N 3.49Å
181Q66.8Low77.6Confident187 Ų18784.6 Ų84.687%0.87446%0.461SS*.SBendtrans-95.552.5169.3-68.8177.1-1400109.8Q183Q181-Q183 PolarHBondContact O-N 3.27Å; Q181-Q183 VanDerWaalsContact O-N 3.1Å
182G68.1Low78Confident3 Ų388.5 Ų88.53%0.03148%0.477CS..SBendtrans84-36.8-174.900000114C150 G155 G157 C180C150-G182 VanDerWaalsContact CB-O 3.25Å; C150-G182 WeakPolarHBondContact CB-O 3.4Å; C150-G182 PolarHBondContact N-O 2.96Å; C150-G182 VanDerWaalsContact N-O 3.11Å; G155-G182 VanDerWaalsContact CA-O 3.27Å; G155-G182 WeakPolarHBondContact CA-O 3.42Å; G155-G182 WeakPolarHBondContact O-CA 3.27Å; G157-G182 VanDerWaalsContact CA-N 3.34Å; C180-G182 VanDerWaalsContact C-N 3.29Å; C180-G182 PolarHBondContact O-N 3.49Å
183Q74.8Confident78.3Confident74 Ų7483.2 Ų83.235%0.34646%0.458SS..EExtended strand (participates in β ladder)trans-111.7145.9176.2-67.41681.900111.2V147 E148 Q181V147-Q183 HydrophobicContact CG1-CB 3.71Å; V147-Q183 HydrophobicContact CG1-CG 3.83Å; V147-Q183 VanDerWaalsContact CG1-OE1 3.27Å; E148-Q183 CarbonylContact O-C 3.58Å; E148-Q183 WeakPolarHBondContact O-CA 3.26Å; Q181-Q183 PolarHBondContact O-N 3.27Å; Q181-Q183 VanDerWaalsContact O-N 3.1Å
184R76.9Confident78.4Confident158 Ų15880.9 Ų80.960%0.59644%0.444SS*.EExtended strand (participates in β ladder)trans-111.5127.5176.3-168.3175.5-174.6159.10.8108.9E148 C150E148-R184 PolarHBondContact N-O 3.01Å; E148-R184 PolarHBondContact O-N 3.02Å; C150-R184 HydrophobicContact CB-CB 4.49Å
185I80.7Confident78.6Confident23 Ų2380.5 Ų80.512%0.11844%0.441CS..EExtended strand (participates in β ladder)trans-124.6121.3176.2-54.1173.6000107.3V147 D189 R190V147-I185 HydrophobicContact CG1-CG1 4.37Å; V147-I185 HydrophobicContact CG2-CD1 4.11Å; V147-I185 HydrophobicContact CG2-CG1 4.16Å; I185-D189 HydrophobicContact CG2-CB 4.47Å; I185-R190 HydrophobicContact CB-CG 4.35Å; I185-R190 HydrophobicContact CG2-CG 3.84Å
186S80.4Confident78.5Confident62 Ų6278.6 Ų78.643%0.43443%0.434SS..  trans-55.7141.6174.8175.60000110.5K188 D189 R190S186-K188 PolarHBondContact O-N 2.77Å; S186-K188 VanDerWaalsContact O-N 3.1Å; S186-D189 WeakPolarHBondContact CB-OD2 3.46Å; S186-D189 PolarHBondContact O-N 3.38Å; S186-R190 WeakPolarHBondContact O-CG 3.25Å; S186-R190 PolarHBondContact O-N 3.45Å; S186-R190 VanDerWaalsContact O-N 3.17Å
187H79.9Confident78.5Confident150 Ų15082.3 Ų82.369%0.69444%0.435SS*.THydrogen-bonded Turntrans-55.7-32.1-178.4-169.5-88.4000112.6D189H187-D189 VanDerWaalsContact C-N 3.34Å
188K80.6Confident78.9Confident187 Ų18783.8 Ų83.881%0.81344%0.44SS*.THydrogen-bonded Turntrans-71.3-27.8178.6-64.1-177.1-179.8-179.40113.3S186S186-K188 PolarHBondContact O-N 2.77Å; S186-K188 VanDerWaalsContact O-N 3.1Å
189D83.9Confident80Confident48 Ų4881.9 Ų81.926%0.25741%0.408SS..THydrogen-bonded Turntrans-104.30.5-173.8-58.9-58.6000113.6G142 R143 A146 I185 S186 H187 C191G142-D189 WeakPolarHBondContact CA-O 3.42Å; R143-D189 PolarHBondContact N-O 3.25Å; R143-D189 VanDerWaalsContact N-O 3.15Å; A146-D189 HydrophobicContact CB-CB 3.49Å; A146-D189 VanDerWaalsContact CB-CB 3.49Å; I185-D189 HydrophobicContact CG2-CB 4.47Å; S186-D189 WeakPolarHBondContact CB-OD2 3.46Å; S186-D189 PolarHBondContact O-N 3.38Å; H187-D189 VanDerWaalsContact C-N 3.34Å; D189-C191 PolarHBondContact O-N 2.91Å
190R85Confident81.2Confident114 Ų11481.8 Ų81.843%0.4339%0.391SS..BIsolated β-bridgetrans-59.7137.4171.3-72179.5-173-172.6-0.4109.8I185 S186 K192I185-R190 HydrophobicContact CB-CG 4.35Å; I185-R190 HydrophobicContact CG2-CG 3.84Å; S186-R190 WeakPolarHBondContact O-CG 3.25Å; S186-R190 PolarHBondContact O-N 3.45Å; S186-R190 VanDerWaalsContact O-N 3.17Å; R190-K192 PolarHBondContact O-N 3.34Å
191C85.6Confident82.3Confident15 Ų1590.8 Ų90.810%0.10142%0.423CS..  trans-59.4125.6174178.90000109.5C137 G141 D189 A193 C194 S195C137-C191 HydrophobicContact CB-CB 3.95Å; G141-C191 WeakPolarHBondContact O-CB 3.26Å; G141-C191 PolarHBondContact O-N 3.34Å; D189-C191 PolarHBondContact O-N 2.91Å; C191-A193 PolarHBondContact O-N 2.75Å; C191-C194 VanDerWaalsContact CB-SG 3.54Å; C191-S195 WeakPolarHBondContact O-CA 3.48Å; C191-S195 PolarHBondContact O-N 2.92Å
192K87.4Confident83.5Confident190 Ų19086.8 Ų86.883%0.82641%0.405SS*.THydrogen-bonded Turntrans-63.3-24.2-179.2-63.2-175.4179-176.20113.7R190R190-K192 PolarHBondContact O-N 3.34Å
193A86.3Confident84.6Confident35 Ų3594.3 Ų94.329%0.28944%0.437SS..THydrogen-bonded Turntrans-82.4-50.4-179.200000112.8C191 L200C191-A193 PolarHBondContact O-N 2.75Å; A193-L200 HydrophobicContact CB-CD1 4.47Å; A193-L200 HydrophobicContact CB-CD2 4.49Å; A193-L200 WeakPolarHBondContact O-CD2 3.47Å
194C84.6Confident85.4Confident6 Ų694.3 Ų94.34%0.04144%0.436CS..THydrogen-bonded Turntrans-97.3-2.7-178.6680000113.9C134 C137 C191 G196 R197 K198 I199 L200C134-C194 HydrophobicContact CB-CB 3.98Å; C137-C194 VanDerWaalsContact SG-SG 3.67Å; C191-C194 VanDerWaalsContact CB-SG 3.54Å; C194-G196 PolarHBondContact O-N 3.24Å; C194-G196 VanDerWaalsContact O-N 3.14Å; C194-R197 VanDerWaalsContact O-CB 3.26Å; C194-R197 WeakPolarHBondContact O-CB 2.9Å; C194-R197 WeakPolarHBondContact O-CG 3.23Å; C194-R197 PolarHBondContact O-N 2.81Å; C194-K198 PolarHBondContact SG-N 3.14Å; C194-K198 VanDerWaalsContact SG-N 3.4Å; C194-I199 WeakPolarHBondContact CB-O 3.03Å; C194-L200 HydrophobicContact CB-CD2 3.91Å; C194-L200 HydrophobicContact CB-CG 4.43Å
195S84.8Confident86.2Confident78 Ų7892.1 Ų92.155%0.54543%0.434SS..THydrogen-bonded Turntrans52.333.1-177.2-60.60000114.1C191C191-S195 WeakPolarHBondContact O-CA 3.48Å; C191-S195 PolarHBondContact O-N 2.92Å
196G80.8Confident86.8Confident21 Ų2191.5 Ų91.522%0.21643%0.431CS..THydrogen-bonded Turntrans91.1-4.6-177.200000115.6G141 C194 K198G141-G196 WeakPolarHBondContact O-CA 3.18Å; C194-G196 PolarHBondContact O-N 3.24Å; C194-G196 VanDerWaalsContact O-N 3.14Å; G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 2.8Å
197R81.8Confident87.5Confident197 Ų19793 Ų9374%0.74343%0.431SS*.  trans-78.7-8.3-177.6-62.7-178.8-179.8-178.90.3114.9C194 I199C194-R197 VanDerWaalsContact O-CB 3.26Å; C194-R197 WeakPolarHBondContact O-CB 2.9Å; C194-R197 WeakPolarHBondContact O-CG 3.23Å; C194-R197 PolarHBondContact O-N 2.81Å; R197-I199 PolarHBondContact O-N 2.89Å
198K87Confident88.2Confident43 Ų4385.8 Ų85.819%0.18740%0.398CS..SBendtrans68.1-21.6179.4-54.6173.4167.9-171.60115.8C134 G139 R140 C194 G196 P230C134-K198 WeakPolarHBondContact CB-O 3.33Å; C134-K198 PolarHBondContact N-O 2.88Å; G139-K198 WeakPolarHBondContact O-CB 3.38Å; G139-K198 WeakPolarHBondContact O-CD 3.37Å; G139-K198 WeakPolarHBondContact O-CG 3.43Å; R140-K198 WeakPolarHBondContact O-CE 3.41Å; C194-K198 PolarHBondContact SG-N 3.14Å; C194-K198 VanDerWaalsContact SG-N 3.4Å; G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 2.8Å; K198-P230 HydrophobicContact CB-CG 3.78Å; K198-P230 HydrophobicContact CD-CG 4.12Å
199I90.8Very high88.8Confident46 Ų4682.1 Ų82.124%0.23638%0.384CS..EExtended strand (participates in β ladder)trans-117.3157.2179.358.8176.2000112.1N131 V132 C194 R197 P230N131-I199 HydrophobicContact CB-CB 4.42Å; N131-I199 HydrophobicContact CB-CD1 4.05Å; V132-I199 CarbonylContact O-C 3.54Å; V132-I199 WeakPolarHBondContact O-CA 3.18Å; C194-I199 WeakPolarHBondContact CB-O 3.03Å; R197-I199 PolarHBondContact O-N 2.89Å; I199-P230 HydrophobicContact CG2-CG 4.48Å
200L91.4Very high89.3Confident67 Ų6780 Ų8035%0.35137%0.372SS..EExtended strand (participates in β ladder)trans-127142.9172.9-66.9175.9000109.8N131 V132 C134 A193 C194N131-L200 WeakPolarHBondContact CA-O 3.21Å; V132-L200 PolarHBondContact N-O 3.34Å; V132-L200 PolarHBondContact O-N 3.26Å; C134-L200 HydrophobicContact CB-CD1 4.18Å; C134-L200 HydrophobicContact CB-CG 3.98Å; A193-L200 HydrophobicContact CB-CD1 4.47Å; A193-L200 HydrophobicContact CB-CD2 4.49Å; A193-L200 WeakPolarHBondContact O-CD2 3.47Å; C194-L200 HydrophobicContact CB-CD2 3.91Å; C194-L200 HydrophobicContact CB-CG 4.43Å
201R91.2Very high89.7Confident202 Ų20278.6 Ų78.676%0.76237%0.373SS*.EExtended strand (participates in β ladder)trans-82.7121.8173-73.5-179.8178.6178.4-1.6109.6N131N131-R201 VanDerWaalsContact OD1-CG 3.26Å; N131-R201 WeakPolarHBondContact OD1-CG 3.27Å
202Q91.3Very high90.1Very high104 Ų10482.8 Ų82.849%0.48639%0.39SS..EExtended strand (participates in β ladder)trans-122.3139.1177.4-167.4173.612.200110.1K130 V132K130-Q202 PolarHBondContact N-O 3.32Å; K130-Q202 PolarHBondContact O-N 2.81Å; V132-Q202 HydrophobicContact CG2-CB 4.07Å
203K92.3Very high90.3Very high160 Ų16073.8 Ų73.870%0.69635%0.351SS*.EExtended strand (participates in β ladder)trans-86.2123.2170.3-71.5178.4-179.3-176.40108.4Q129Q129-K203 HydrophobicContact CG-CG 3.99Å
204K91.7Very high90.6Very high75 Ų7572.4 Ų72.433%0.32634%0.339SS..EExtended strand (participates in β ladder)trans-120.1137.1173.1-174.5172.5177.61790109.2V128 L206 E225V128-K204 PolarHBondContact N-O 3.18Å; V128-K204 PolarHBondContact O-N 3.13Å; K204-L206 HydrophobicContact CD-CD2 4.26Å; K204-L206 HydrophobicContact CG-CD2 4.37Å; K204-E225 WeakPolarHBondContact CD-OE2 3.49Å; K204-E225 WeakPolarHBondContact CE-OE2 3.38Å; K204-E225 IonicContact NZ-OE1 3.08Å; K204-E225 PolarHBondContact NZ-OE1 3.17Å; K204-E225 IonicContact NZ-OE2 3.16Å; K204-E225 PolarHBondContact NZ-OE2 3.04Å
205I93.4Very high91Very high111 Ų11178 Ų7857%0.56936%0.362SS*.EExtended strand (participates in β ladder)trans-94.1119.6175.5-57173.3000107.2K125 L126K125-I205 HydrophobicContact CB-CG2 3.81Å; K125-I205 HydrophobicContact CD-CG2 4.37Å; K125-I205 HydrophobicContact CG-CG2 4.36Å; L126-I205 WeakPolarHBondContact O-CA 3.2Å
206L92.9Very high91.5Very high10 Ų1078.6 Ų78.65%0.05236%0.36CS..EExtended strand (participates in β ladder)trans-99.7131.3172.9-60.8179000108.7K125 L126 V128 K204 F222 E225 I237K125-L206 WeakPolarHBondContact CA-O 3.26Å; L126-L206 PolarHBondContact N-O 2.8Å; L126-L206 PolarHBondContact O-N 2.67Å; V128-L206 HydrophobicContact CG2-CD1 3.91Å; V128-L206 HydrophobicContact CG2-CG 4.46Å; K204-L206 HydrophobicContact CD-CD2 4.26Å; K204-L206 HydrophobicContact CG-CD2 4.37Å; L206-F222 HydrophobicContact CD1-CD1 4.49Å; L206-F222 HydrophobicContact CD1-CG 4.34Å; L206-E225 HydrophobicContact CD2-CG 4.31Å; L206-I237 HydrophobicContact CD1-CD1 3.92Å; L206-I237 HydrophobicContact CD1-CG2 4.44Å
207E94Very high92.1Very high93 Ų9379.4 Ų79.444%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-92.3115.9174.5-56.2-164.4152.800108.6T123 K125T123-E207 HydrophobicContact CG2-CB 4.44Å; K125-E207 WeakPolarHBondContact CE-OE1 3.46Å; K125-E207 HydrophobicContact CG-CG 4.32Å; K125-E207 IonicContact NZ-OE1 2.76Å; K125-E207 PolarHBondContact NZ-OE1 2.98Å
208V94.9Very high92.6Very high0 Ų072.3 Ų72.30%034%0.343CS..EExtended strand (participates in β ladder)trans-103112-178.1-170.50000107.9L111 T123 R124 L126 L220 F222 I239L111-V208 HydrophobicContact CD2-CB 4.13Å; L111-V208 HydrophobicContact CD2-CG1 3.89Å; L111-V208 HydrophobicContact CD2-CG2 4.37Å; T123-V208 WeakPolarHBondContact CA-O 3.44Å; R124-V208 PolarHBondContact N-O 3.28Å; R124-V208 PolarHBondContact O-N 3.23Å; L126-V208 HydrophobicContact CB-CG2 4.3Å; V208-L220 HydrophobicContact CG1-CD1 3.36Å; V208-F222 HydrophobicContact CG2-CE2 4.28Å; V208-F222 HydrophobicContact CG2-CZ 4.02Å; V208-I239 HydrophobicContact CG2-CD1 3.43Å; V208-I239 VanDerWaalsContact CG2-CD1 3.43Å
209H93.7Very high93Very high110 Ų11077.1 Ų77.151%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-85121.8173.9-61.9-67.4000109.8T123T123-H209 WeakPolarHBondContact CG2-ND1 3.44Å; T123-H209 PolarHBondContact OG1-ND1 2.87Å
210I94.5Very high93.1Very high4 Ų476.4 Ų76.42%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-104.3107.2177.7-57.3166.2000106.6L111 V113 L118 G121 A122 R124 M214L111-I210 HydrophobicContact CD2-CD1 4.33Å; V113-I210 HydrophobicContact CB-CD1 4.48Å; V113-I210 HydrophobicContact CG1-CD1 3.83Å; V113-I210 HydrophobicContact CG1-CG2 4.41Å; V113-I210 HydrophobicContact CG2-CD1 3.7Å; L118-I210 HydrophobicContact CD2-CG2 3.77Å; G121-I210 CarbonylContact C-O 3.58Å; G121-I210 WeakPolarHBondContact CA-O 3.48Å; A122-I210 PolarHBondContact N-O 3.1Å; A122-I210 WeakPolarHBondContact O-CA 3.31Å; A122-I210 WeakPolarHBondContact O-CB 3.42Å; A122-I210 PolarHBondContact O-N 3.38Å; R124-I210 HydrophobicContact CB-CD1 4.39Å; R124-I210 HydrophobicContact CG-CD1 3.9Å; I210-M214 HydrophobicContact CG2-SD 4.21Å
211D93.4Very high93.3Very high83 Ų8376.4 Ų76.444%0.44436%0.363SS..  trans-76.9151.7179.2-62.2-39000111.4G213 M214 H309D211-G213 PolarHBondContact O-N 3.34Å; D211-M214 HydrophobicContact CB-CE 3.96Å; D211-M214 HydrophobicContact CB-CG 4.03Å; D211-M214 HydrophobicContact CB-SD 4.27Å; D211-M214 PolarHBondContact N-SD 3.33Å; D211-M214 WeakPolarHBondContact O-CB 3.13Å; D211-M214 VanDerWaalsContact O-CG 3.31Å; D211-M214 WeakPolarHBondContact O-CG 3.49Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 VanDerWaalsContact O-N 3.17Å; D211-M214 WeakPolarHBondContact OD2-CE 3.47Å; D211-H309 IonicContact OD2-CE1 3.02Å
212K93.4Very high93.4Very high103 Ų10369 Ų6945%0.44834%0.337SS..THydrogen-bonded Turntrans-54.6131.5172.7-61.7-179.1175.5-179.90110.5F119 N120 M214 P307 P312F119-K212 WeakPolarHBondContact O-CG 3.13Å; N120-K212 WeakPolarHBondContact O-CE 3.47Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 3.43Å; K212-P307 HydrophobicContact CB-CB 4.29Å; K212-P312 HydrophobicContact CD-CB 4.17Å
213G91.6Very high93.4Very high2 Ų270.9 Ų70.92%0.02135%0.345CS..THydrogen-bonded Turntrans79.73.9177.100000115.4L118 D211 R251 P307L118-G213 PolarHBondContact O-N 3Å; D211-G213 PolarHBondContact O-N 3.34Å; G213-R251 PolarHBondContact O-NH2 3.29Å; G213-P307 WeakPolarHBondContact CA-O 3.34Å
214M94.1Very high93.3Very high5 Ų564.5 Ų64.53%0.02533%0.325CS..PPolyproline II helixtrans-52144.5173.3-84-171.5164.200111.7L118 I210 D211 K212 L220 L241 R251L118-M214 HydrophobicContact CD2-CB 3.99Å; I210-M214 HydrophobicContact CG2-SD 4.21Å; D211-M214 HydrophobicContact CB-CE 3.96Å; D211-M214 HydrophobicContact CB-CG 4.03Å; D211-M214 HydrophobicContact CB-SD 4.27Å; D211-M214 PolarHBondContact N-SD 3.33Å; D211-M214 WeakPolarHBondContact O-CB 3.13Å; D211-M214 VanDerWaalsContact O-CG 3.31Å; D211-M214 WeakPolarHBondContact O-CG 3.49Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 VanDerWaalsContact O-N 3.17Å; D211-M214 WeakPolarHBondContact OD2-CE 3.47Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 3.43Å; M214-L220 HydrophobicContact CE-CD2 3.75Å; M214-L241 HydrophobicContact CB-CD1 4.01Å; M214-L241 HydrophobicContact CG-CD1 4.45Å; M214-L241 HydrophobicContact SD-CD1 3.7Å; M214-R251 VanDerWaalsContact O-CZ 3.27Å; M214-R251 PolarHBondContact O-NH1 3.39Å; M214-R251 PolarHBondContact O-NH2 2.81Å
215K93Very high93.2Very high124 Ų12462.8 Ų62.854%0.53932%0.318SS..PPolyproline II helixtrans-90.9154.1-175.5-64.5-177.5-178.1-177.70111Q218K215-Q218 WeakPolarHBondContact O-CB 3.44Å; K215-Q218 PolarHBondContact O-N 2.88Å
216D94.1Very high93Very high91 Ų9157.6 Ų57.649%0.48729%0.291SS..THydrogen-bonded Turntrans-60142.2167.1-176.645.4000110.6Q218 Q243D216-Q218 PolarHBondContact O-N 2.85Å; D216-Q243 HydrophobicContact CB-CB 3.9Å; D216-Q243 WeakPolarHBondContact OD1-CB 3.42Å; D216-Q243 PolarHBondContact OD1-N 3.02Å
217G93.1Very high92.9Very high37 Ų3759.6 Ų59.638%0.38130%0.302SS..THydrogen-bonded Turntrans713.6-175.700000115.6L241G217-L241 VanDerWaalsContact CA-O 3.26Å; G217-L241 WeakPolarHBondContact CA-O 2.87Å; G217-L241 PolarHBondContact N-O 3.34Å
218Q93.3Very high92.6Very high49 Ų4957.3 Ų57.323%0.22929%0.291CS..  trans-64.5136.6177.5-175.5168.3-12.900110.7K215 D216 L241K215-Q218 WeakPolarHBondContact O-CB 3.44Å; K215-Q218 PolarHBondContact O-N 2.88Å; D216-Q218 PolarHBondContact O-N 2.85Å; Q218-L241 HydrophobicContact CB-CD1 4.35Å; Q218-L241 PolarHBondContact O-N 3.49Å
219K94.9Very high92.2Very high144 Ų14462.2 Ų62.263%0.62631%0.314SS*.EExtended strand (participates in β ladder)trans-100.3127.8-175.3-55.8-174.4-179.4175.80110.7I238 I239 V240K219-I238 HydrophobicContact CB-CG2 4.01Å; K219-I238 HydrophobicContact CD-CG2 4.16Å; K219-I238 HydrophobicContact CG-CG2 4.31Å; K219-I239 CarbonylContact C-O 3.47Å; K219-I239 WeakPolarHBondContact CA-O 3.26Å; K219-V240 HydrophobicContact CG-CG2 4.25Å
220L93.5Very high91.7Very high31 Ų3158.7 Ų58.716%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-109.3119.3172.6-62.2172.1000108.2V208 M214 F222 I239 L241V208-L220 HydrophobicContact CG1-CD1 3.36Å; M214-L220 HydrophobicContact CE-CD2 3.75Å; L220-F222 HydrophobicContact CB-CE2 4.27Å; L220-I239 HydrophobicContact CB-CB 4.31Å; L220-I239 PolarHBondContact N-O 2.9Å; L220-I239 PolarHBondContact O-N 2.79Å; L220-L241 HydrophobicContact CD1-CD2 4.02Å; L220-L241 HydrophobicContact CD1-CG 4.42Å
221V94.4Very high91Very high67 Ų6765.5 Ų65.541%0.40633%0.333SS..EExtended strand (participates in β ladder)trans-103.9123.6-174.3-1730000109.8H223 D236 I238V221-H223 VanDerWaalsContact CG1-CE1 3.49Å; V221-H223 WeakPolarHBondContact CG1-CE1 3.26Å; V221-D236 HydrophobicContact CG1-CB 3.9Å; V221-I238 HydrophobicContact CG2-CG1 4.46Å
222F93.9Very high90.6Very high47 Ų4764.7 Ų64.721%0.20633%0.328CS..EExtended strand (participates in β ladder)trans-104.7101172.2-68-95.3000108.4L206 V208 L220 E225 I237 I239L206-F222 HydrophobicContact CD1-CD1 4.49Å; L206-F222 HydrophobicContact CD1-CG 4.34Å; V208-F222 HydrophobicContact CG2-CE2 4.28Å; V208-F222 HydrophobicContact CG2-CZ 4.02Å; L220-F222 HydrophobicContact CB-CE2 4.27Å; F222-E225 HydrophobicContact CB-CB 4.03Å; F222-E225 HydrophobicContact CB-CG 4Å; F222-I237 HydrophobicContact CB-CB 4.24Å; F222-I237 PolarHBondContact N-O 2.78Å; F222-I237 PolarHBondContact O-N 2.82Å; F222-I239 HydrophobicContact CD2-CD1 3.84Å; F222-I239 HydrophobicContact CD2-CG1 4.03Å; F222-I239 HydrophobicContact CE2-CB 4.5Å; F222-I239 HydrophobicContact CE2-CD1 3.4Å; F222-I239 VanDerWaalsContact CE2-CD1 3.4Å; F222-I239 HydrophobicContact CE2-CG1 3.94Å; F222-I239 HydrophobicContact CZ-CD1 4.23Å
223H92.2Very high90.2Very high142 Ų14264.6 Ų64.666%0.65733%0.329SS*.THydrogen-bonded Turntrans-68.6133.8-173.3-66.2-62.2000112.6V221 E225 D236V221-H223 VanDerWaalsContact CG1-CE1 3.49Å; V221-H223 WeakPolarHBondContact CG1-CE1 3.26Å; H223-E225 PolarHBondContact O-N 3.13Å; H223-E225 VanDerWaalsContact O-N 3.12Å; H223-D236 WeakPolarHBondContact CA-OD1 3.21Å; H223-D236 IonicContact CE1-OD2 2.85Å; H223-D236 IonicContact ND1-OD1 2.95Å; H223-D236 IonicContact ND1-OD2 2.72Å; H223-D236 PolarHBondContact ND1-OD2 2.88Å
224G88.8Confident90.1Very high27 Ų2766.4 Ų66.428%0.27834%0.341SS..THydrogen-bonded Turntrans65.111177.100000115.2P234 G235 D236G224-P234 WeakPolarHBondContact O-CG 3.35Å; G224-G235 CarbonylContact C-O 3.42Å; G224-G235 WeakPolarHBondContact CA-O 3.3Å; G224-D236 PolarHBondContact N-OD1 2.81Å
225E90.3Very high90Very high39 Ų3966.2 Ų66.218%0.18234%0.34CS..  trans-88.9-2.7178.4-70.3-64.8167.900113.6K130 K204 L206 F222 H223 G235 I237K130-E225 WeakPolarHBondContact CD-O 3.48Å; K130-E225 IonicContact NZ-OE2 2.85Å; K130-E225 PolarHBondContact NZ-OE2 3.03Å; K204-E225 WeakPolarHBondContact CD-OE2 3.49Å; K204-E225 WeakPolarHBondContact CE-OE2 3.38Å; K204-E225 IonicContact NZ-OE1 3.08Å; K204-E225 PolarHBondContact NZ-OE1 3.17Å; K204-E225 IonicContact NZ-OE2 3.16Å; K204-E225 PolarHBondContact NZ-OE2 3.04Å; L206-E225 HydrophobicContact CD2-CG 4.31Å; F222-E225 HydrophobicContact CB-CB 4.03Å; F222-E225 HydrophobicContact CB-CG 4Å; H223-E225 PolarHBondContact O-N 3.13Å; H223-E225 VanDerWaalsContact O-N 3.12Å; E225-G235 PolarHBondContact N-O 2.69Å; E225-I237 HydrophobicContact CB-CB 4.45Å; E225-I237 HydrophobicContact CB-CD1 3.85Å; E225-I237 HydrophobicContact CB-CG1 4.2Å; E225-I237 WeakPolarHBondContact O-CD1 3.42Å
226G89.6Confident90Very high1 Ų162.1 Ų62.11%0.0132%0.324CS..SBendtrans-68.6-174.1176.700000114.2Q228 G235G226-Q228 PolarHBondContact O-N 2.8Å; G226-G235 VanDerWaalsContact CA-O 3.29Å; G226-G235 WeakPolarHBondContact CA-O 3.44Å; G226-G235 PolarHBondContact N-O 2.97Å
227D90Very high90Very high52 Ų5257.9 Ų57.928%0.27830%0.302SS..  trans-65.6131.1178.8-80.6-25.8000111.4K130 N131K130-D227 WeakPolarHBondContact CA-OD1 3.46Å; N131-D227 HydrophobicContact CB-CB 4.27Å; N131-D227 PolarHBondContact N-OD1 3.21Å; N131-D227 PolarHBondContact ND2-OD1 2.8Å; N131-D227 PolarHBondContact ND2-OD2 3.26Å
228Q88.4Confident90.1Very high45 Ų4557.7 Ų57.721%0.2129%0.291CS..  trans-89.1132173.8-62.5178.9600110.4N131 I133 G226 P234N131-Q228 WeakPolarHBondContact O-CB 3.21Å; N131-Q228 PolarHBondContact O-N 2.88Å; I133-Q228 HydrophobicContact CG1-CB 4.07Å; I133-Q228 VanDerWaalsContact N-OE1 3.13Å; G226-Q228 PolarHBondContact O-N 2.8Å; Q228-P234 HydrophobicContact CG-CB 4.06Å
229E86.3Confident90.2Very high103 Ų10355.3 Ų55.348%0.48128%0.281SS..  trans-121.2143.4169.8-69.4-174.5171.800109.3E231 L232E229-E231 PolarHBondContact O-N 2.9Å; E229-L232 HydrophobicContact CB-CB 4.28Å; E229-L232 PolarHBondContact O-N 3.22Å
230P82.8Confident90.2Very high36 Ų3649.8 Ų49.823%0.23426%0.258CS..THydrogen-bonded Turntrans-55.2136.9173.3-22.733.1000110.7K198 I199 L232K198-P230 HydrophobicContact CB-CG 3.78Å; K198-P230 HydrophobicContact CD-CG 4.12Å; I199-P230 HydrophobicContact CG2-CG 4.48Å; P230-L232 PolarHBondContact O-N 2.65Å
231E79.5Confident90.3Very high147 Ų14748.4 Ų48.469%0.68725%0.252SS*.THydrogen-bonded Turntrans72.2-0.9179.7-48.6175-165.900115.9E229E229-E231 PolarHBondContact O-N 2.9Å
232L84.8Confident90.3Very high66 Ų6648.3 Ų48.335%0.34625%0.249SC..SBendtrans-117.9139173.2-77.779.5000111.1R102 E229 P230R102-L232 HydrophobicContact CB-CG 4.36Å; R102-L232 CarbonylContact O-C 3.55Å; R102-L232 WeakPolarHBondContact O-CA 3.34Å; R102-L232 WeakPolarHBondContact O-CB 3.14Å; E229-L232 HydrophobicContact CB-CB 4.28Å; E229-L232 PolarHBondContact O-N 3.22Å; P230-L232 PolarHBondContact O-N 2.65Å
233E86.4Confident90.4Very high101 Ų10148 Ų4847%0.47225%0.248SC..BIsolated β-bridgetrans-61.6141.5162.6-65.5-177.5171.100109.9R102 R103 G104R102-E233 PolarHBondContact O-N 3.38Å; R103-E233 CarbonylContact C-O 3.56Å; R103-E233 VanDerWaalsContact CA-O 3.3Å; R103-E233 WeakPolarHBondContact CA-O 3.45Å; R103-E233 HydrophobicContact CG-CB 3.89Å; R103-E233 WeakPolarHBondContact CG-OE2 3.45Å; R103-E233 IonicContact NE-OE2 2.62Å; R103-E233 PolarHBondContact NE-OE2 2.63Å; G104-E233 PolarHBondContact N-O 3.12Å
234P89.6Confident90.5Very high41 Ų4149.7 Ų49.727%0.26625%0.248SC..  trans-63.3144.8175.524.8-31.5000111.4G224 Q228G224-P234 WeakPolarHBondContact O-CG 3.35Å; Q228-P234 HydrophobicContact CG-CB 4.06Å
235G91.3Very high90.8Very high1 Ų154.7 Ų54.71%0.0127%0.273CS..  trans-74.9-175.4167.900000112.2G104 G224 E225 G226G104-G235 WeakPolarHBondContact O-CA 3.35Å; G224-G235 CarbonylContact C-O 3.42Å; G224-G235 WeakPolarHBondContact CA-O 3.3Å; E225-G235 PolarHBondContact N-O 2.69Å; G226-G235 VanDerWaalsContact CA-O 3.29Å; G226-G235 WeakPolarHBondContact CA-O 3.44Å; G226-G235 PolarHBondContact N-O 2.97Å
236D93.6Very high90.9Very high37 Ų3754.5 Ų54.520%0.19827%0.272CS..  trans-99.3149.8179.9-64.9-15.8000111.6N106 V107 V221 H223 G224N106-D236 CarbonylContact C-O 3.47Å; N106-D236 WeakPolarHBondContact CA-O 3.44Å; N106-D236 WeakPolarHBondContact CB-O 3.17Å; N106-D236 PolarHBondContact OD1-N 3.3Å; V107-D236 PolarHBondContact N-O 3.23Å; V221-D236 HydrophobicContact CG1-CB 3.9Å; H223-D236 WeakPolarHBondContact CA-OD1 3.21Å; H223-D236 IonicContact CE1-OD2 2.85Å; H223-D236 IonicContact ND1-OD1 2.95Å; H223-D236 IonicContact ND1-OD2 2.72Å; H223-D236 PolarHBondContact ND1-OD2 2.88Å; G224-D236 PolarHBondContact N-OD1 2.81Å
237I93.3Very high91.1Very high3 Ų360.3 Ų60.32%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-93.7121.1164.9-68.5173000108.3V107 V128 L206 F222 E225 I239V107-I237 HydrophobicContact CB-CG1 4.43Å; V107-I237 CarbonylContact O-C 3.55Å; V107-I237 WeakPolarHBondContact O-CA 3.04Å; V128-I237 HydrophobicContact CB-CD1 4.34Å; V128-I237 HydrophobicContact CG1-CD1 3.78Å; V128-I237 HydrophobicContact CG2-CD1 4.42Å; L206-I237 HydrophobicContact CD1-CD1 3.92Å; L206-I237 HydrophobicContact CD1-CG2 4.44Å; F222-I237 HydrophobicContact CB-CB 4.24Å; F222-I237 PolarHBondContact N-O 2.78Å; F222-I237 PolarHBondContact O-N 2.82Å; E225-I237 HydrophobicContact CB-CB 4.45Å; E225-I237 HydrophobicContact CB-CD1 3.85Å; E225-I237 HydrophobicContact CB-CG1 4.2Å; E225-I237 WeakPolarHBondContact O-CD1 3.42Å; I237-I239 HydrophobicContact CG2-CG1 3.96Å
238I94.9Very high91.2Very high32 Ų3261.5 Ų61.516%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-105.9110.4177.3-54.6173.9000107.7N106 V107 V108 H109 K219 V221 V240N106-I238 HydrophobicContact CB-CD1 4.17Å; V107-I238 PolarHBondContact O-N 2.83Å; V108-I238 CarbonylContact C-O 3.33Å; V108-I238 VanDerWaalsContact CA-O 3.3Å; V108-I238 WeakPolarHBondContact CA-O 3.49Å; V108-I238 HydrophobicContact CG2-CB 4.41Å; H109-I238 PolarHBondContact N-O 3.19Å; K219-I238 HydrophobicContact CB-CG2 4.01Å; K219-I238 HydrophobicContact CD-CG2 4.16Å; K219-I238 HydrophobicContact CG-CG2 4.31Å; V221-I238 HydrophobicContact CG2-CG1 4.46Å; I238-V240 HydrophobicContact CG2-CG2 4.38Å
239I94.9Very high91.5Very high0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-92.3119.5174.4-55.8-174.4000108.4H109 L111 L126 V208 K219 L220 F222 I237H109-I239 HydrophobicContact CB-CG1 4.47Å; H109-I239 CarbonylContact O-C 3.59Å; H109-I239 VanDerWaalsContact O-CA 3.26Å; H109-I239 WeakPolarHBondContact O-CA 3.3Å; L111-I239 HydrophobicContact CB-CG2 3.58Å; L111-I239 HydrophobicContact CD2-CG2 4.25Å; L126-I239 HydrophobicContact CD2-CD1 3.66Å; L126-I239 HydrophobicContact CD2-CG1 4.31Å; V208-I239 HydrophobicContact CG2-CD1 3.43Å; V208-I239 VanDerWaalsContact CG2-CD1 3.43Å; K219-I239 CarbonylContact C-O 3.47Å; K219-I239 WeakPolarHBondContact CA-O 3.26Å; L220-I239 HydrophobicContact CB-CB 4.31Å; L220-I239 PolarHBondContact N-O 2.9Å; L220-I239 PolarHBondContact O-N 2.79Å; F222-I239 HydrophobicContact CD2-CD1 3.84Å; F222-I239 HydrophobicContact CD2-CG1 4.03Å; F222-I239 HydrophobicContact CE2-CB 4.5Å; F222-I239 HydrophobicContact CE2-CD1 3.4Å; F222-I239 VanDerWaalsContact CE2-CD1 3.4Å; F222-I239 HydrophobicContact CE2-CG1 3.94Å; F222-I239 HydrophobicContact CZ-CD1 4.23Å; I237-I239 HydrophobicContact CG2-CG1 3.96Å
240V95.9Very high91.9Very high27 Ų2759 Ų5916%0.16431%0.313CS..EExtended strand (participates in β ladder)trans-99.4123.5175.2-173.60000107.8V108 H109 Q110 L111 K219 I238V108-V240 HydrophobicContact CG1-CG2 3.72Å; H109-V240 PolarHBondContact O-N 2.81Å; Q110-V240 WeakPolarHBondContact CA-O 3.18Å; L111-V240 PolarHBondContact N-O 3.4Å; K219-V240 HydrophobicContact CG-CG2 4.25Å; I238-V240 HydrophobicContact CG2-CG2 4.38Å
241L95.4Very high92.4Very high3 Ų359 Ų592%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-71.4130.4173.8-58.5-175.6000109.5L111 V113 L118 M214 G217 Q218 L220L111-L241 HydrophobicContact CB-CD2 4.47Å; L111-L241 HydrophobicContact CD2-CD2 4.12Å; V113-L241 HydrophobicContact CG2-CD2 4.01Å; L118-L241 HydrophobicContact CD2-CD1 4.39Å; M214-L241 HydrophobicContact CB-CD1 4.01Å; M214-L241 HydrophobicContact CG-CD1 4.45Å; M214-L241 HydrophobicContact SD-CD1 3.7Å; G217-L241 VanDerWaalsContact CA-O 3.26Å; G217-L241 WeakPolarHBondContact CA-O 2.87Å; G217-L241 PolarHBondContact N-O 3.34Å; Q218-L241 HydrophobicContact CB-CD1 4.35Å; Q218-L241 PolarHBondContact O-N 3.49Å; L220-L241 HydrophobicContact CD1-CD2 4.02Å; L220-L241 HydrophobicContact CD1-CG 4.42Å
242D95.4Very high93Very high65 Ų6557.3 Ų57.335%0.34830%0.3SS..EExtended strand (participates in β ladder)trans-119.7109.6177.4174.737.2000108.7L111 T112 V113 R244L111-D242 PolarHBondContact O-N 2.92Å; T112-D242 CarbonylContact C-O 3.53Å; T112-D242 VanDerWaalsContact CA-O 3.26Å; T112-D242 WeakPolarHBondContact CA-O 3.46Å; V113-D242 PolarHBondContact N-O 3.44Å; D242-R244 PolarHBondContact O-N 2.85Å
243Q94.5Very high93.3Very high40 Ų4056.7 Ų56.719%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-77.2118.7-176-174.2-174.2-66.500110.8L118 D216L118-Q243 HydrophobicContact CD1-CB 4.14Å; L118-Q243 HydrophobicContact CD1-CG 3.74Å; D216-Q243 HydrophobicContact CB-CB 3.9Å; D216-Q243 WeakPolarHBondContact OD1-CB 3.42Å; D216-Q243 PolarHBondContact OD1-N 3.02Å
244R95.1Very high93.6Very high177 Ų17755.8 Ų55.867%0.66831%0.306SS*.PPolyproline II helixtrans-65.6136.3172.5-169.5179176.2-177.9-0.5110.6T112 V113 D242 H246T112-R244 HydrophobicContact CG2-CB 4.12Å; V113-R244 PolarHBondContact O-N 3.23Å; D242-R244 PolarHBondContact O-N 2.85Å; R244-H246 PolarHBondContact O-N 3.45Å
245V94Very high93.8Very high132 Ų13255.6 Ų55.680%0.830%0.302SS*.PPolyproline II helixtrans-61129.2170.8-176.50000109.6
246H94.1Very high94Very high35 Ų3555.6 Ų55.616%0.16230%0.302CS..PPolyproline II helixtrans-100.8141.4179-177.5-66.8000109.7L115 E116 R244 V248 F249L115-H246 HydrophobicContact CB-CB 4.29Å; L115-H246 HydrophobicContact CD2-CB 4.2Å; E116-H246 IonicContact OE1-NE2 3.74Å; R244-H246 PolarHBondContact O-N 3.45Å; H246-V248 PolarHBondContact ND1-N 3.23Å; H246-F249 WeakPolarHBondContact CB-O 3.21Å; H246-F249 AromaticContact CE1-CD2 3.56Å; H246-F249 AromaticContact ND1-CD2 3.8Å; H246-F249 PolarHBondContact ND1-N 3.28Å
247P92.1Very high94.1Very high123 Ų12354.4 Ų54.480%0.79930%0.296SS*.SBendtrans-65.5-40.6-175.223-34.2000114.1
248V92.3Very high94.2Very high78 Ų7854.4 Ų54.447%0.47330%0.296SS..SBendtrans-93.6-47.4-176.1-175.50000112.9H246 M258H246-V248 PolarHBondContact ND1-N 3.23Å; V248-M258 HydrophobicContact CG1-CB 4.41Å
249F94.9Very high94.1Very high13 Ų1357.2 Ų57.26%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-99.8135.2-174.3-64-85.2000113L115 H246 L256 T257 M258 Q276 L278 L318L115-F249 HydrophobicContact CD2-CB 3.58Å; L115-F249 HydrophobicContact CD2-CG 4.49Å; H246-F249 WeakPolarHBondContact CB-O 3.21Å; H246-F249 AromaticContact CE1-CD2 3.56Å; H246-F249 AromaticContact ND1-CD2 3.8Å; H246-F249 PolarHBondContact ND1-N 3.28Å; F249-L256 HydrophobicContact CD1-CB 4.32Å; F249-L256 HydrophobicContact CD1-CD1 4.36Å; F249-T257 CarbonylContact C-O 3.6Å; F249-T257 WeakPolarHBondContact CA-O 3.5Å; F249-M258 HydrophobicContact CD1-CB 4.36Å; F249-M258 HydrophobicContact CD1-CE 3.83Å; F249-M258 HydrophobicContact CE1-CE 3.01Å; F249-M258 HydrophobicContact CZ-CE 3.4Å; F249-M258 VanDerWaalsContact CZ-CE 3.4Å; F249-Q276 VanDerWaalsContact CZ-O 3.25Å; F249-Q276 WeakPolarHBondContact CZ-O 3.29Å; F249-L278 HydrophobicContact CD2-CD2 3.78Å; F249-L278 HydrophobicContact CD2-CG 4.26Å; F249-L278 HydrophobicContact CE2-CD2 4.05Å; F249-L278 HydrophobicContact CE2-CG 4.29Å; F249-L278 HydrophobicContact CG-CD2 4.4Å; F249-L318 HydrophobicContact CD1-CD1 4.3Å; F249-L318 HydrophobicContact CE1-CD1 4.02Å
250T94.4Very high94.1Very high82 Ų8257.9 Ų57.950%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-114.5121.4168.4-58.80000109.2T257T250-T257 PolarHBondContact N-O 3.36Å; T250-T257 PolarHBondContact O-N 2.82Å
251R94.4Very high93.9Very high36 Ų3662.6 Ų62.614%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-80.8130.3178.4-174.1-174.8180173.94.9111L115 G213 M214 G253 L256 M306L115-R251 HydrophobicContact CD1-CB 3.95Å; L115-R251 HydrophobicContact CD1-CG 4.39Å; G213-R251 PolarHBondContact O-NH2 3.29Å; M214-R251 VanDerWaalsContact O-CZ 3.27Å; M214-R251 PolarHBondContact O-NH1 3.39Å; M214-R251 PolarHBondContact O-NH2 2.81Å; R251-G253 WeakPolarHBondContact CG-O 3.38Å; R251-G253 PolarHBondContact NE-O 3.3Å; R251-L256 HydrophobicContact CB-CD2 4.2Å; R251-L256 HydrophobicContact CG-CD2 4.41Å; R251-M306 HydrophobicContact CG-CG 3.95Å
252Q92.8Very high93.8Very high111 Ų11162.4 Ų62.452%0.51934%0.338SS..EExtended strand (participates in β ladder)trans-125.987.6172-65.6-177.43.900109.1E254 N255Q252-E254 PolarHBondContact O-N 3.04Å; Q252-E254 VanDerWaalsContact O-N 3.17Å; Q252-N255 CarbonylContact C-O 3.51Å; Q252-N255 PolarHBondContact N-O 2.68Å; Q252-N255 PolarHBondContact O-N 2.87Å
253G90.7Very high93.7Very high54 Ų5464.1 Ų64.156%0.55734%0.344SS*.THydrogen-bonded Turntrans64.5-112.9-173.600000111.7R251R251-G253 WeakPolarHBondContact CG-O 3.38Å; R251-G253 PolarHBondContact NE-O 3.3Å
254E91.4Very high93.5Very high82 Ų8264.5 Ų64.538%0.38335%0.347SS..THydrogen-bonded Turntrans-91.2-13.1176.3-67.2163.9-167.100112.2Q252 M306 I308 G316Q252-E254 PolarHBondContact O-N 3.04Å; Q252-E254 VanDerWaalsContact O-N 3.17Å; E254-M306 WeakPolarHBondContact O-CB 3.45Å; E254-M306 PolarHBondContact O-N 2.76Å; E254-I308 HydrophobicContact CG-CG1 4.22Å; E254-G316 WeakPolarHBondContact O-CA 3.47Å
255N94.6Very high93.3Very high36 Ų3661 Ų6119%0.19335%0.345CS..EExtended strand (participates in β ladder)trans-93148.2-177.9-57.5-35.3000110.6Q252 R317 I319Q252-N255 CarbonylContact C-O 3.51Å; Q252-N255 PolarHBondContact N-O 2.68Å; Q252-N255 PolarHBondContact O-N 2.87Å; N255-R317 VanDerWaalsContact CA-O 3.27Å; N255-R317 WeakPolarHBondContact CA-O 3.35Å; N255-R317 HydrophobicContact CB-CG 4.16Å; N255-R317 VanDerWaalsContact CG-CG 3.45Å; N255-R317 PolarHBondContact ND2-NE 2.72Å; N255-R317 WeakPolarHBondContact OD1-CG 3.14Å; N255-R317 PolarHBondContact OD1-N 2.85Å; N255-R317 VanDerWaalsContact OD1-N 3.13Å; N255-I319 HydrophobicContact CB-CD1 4.14Å
256L94.8Very high93.1Very high2 Ų257.7 Ų57.71%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-107.2140.5170.8-70.5175.4000108.9L115 F119 F249 R251 L278 M306 R317 L318 I319L115-L256 HydrophobicContact CD1-CD2 4.48Å; L115-L256 HydrophobicContact CD2-CD2 3.97Å; F119-L256 HydrophobicContact CD2-CD1 4.48Å; F119-L256 HydrophobicContact CE2-CD1 4.28Å; F249-L256 HydrophobicContact CD1-CB 4.32Å; F249-L256 HydrophobicContact CD1-CD1 4.36Å; R251-L256 HydrophobicContact CB-CD2 4.2Å; R251-L256 HydrophobicContact CG-CD2 4.41Å; L256-L278 HydrophobicContact CD1-CD1 3.6Å; L256-L278 HydrophobicContact CD2-CD1 4.39Å; L256-M306 HydrophobicContact CD1-CG 4.38Å; L256-M306 HydrophobicContact CD1-SD 4.19Å; L256-M306 HydrophobicContact CD2-CG 3.67Å; L256-M306 HydrophobicContact CD2-SD 3.74Å; L256-M306 HydrophobicContact CG-CG 3.9Å; L256-M306 HydrophobicContact CG-SD 4.21Å; L256-R317 PolarHBondContact N-O 2.74Å; L256-L318 HydrophobicContact CB-CD1 3.78Å; L256-L318 CarbonylContact O-C 3.6Å; L256-I319 PolarHBondContact O-N 3.31Å
257T95.7Very high93Very high11 Ų1156.1 Ų56.17%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-118.7133.5174.6-54.90000108.8F249 T250 I319 L321F249-T257 CarbonylContact C-O 3.6Å; F249-T257 WeakPolarHBondContact CA-O 3.5Å; T250-T257 PolarHBondContact N-O 3.36Å; T250-T257 PolarHBondContact O-N 2.82Å; T257-I319 CarbonylContact C-O 3.46Å; T257-I319 VanDerWaalsContact CA-O 3.26Å; T257-I319 WeakPolarHBondContact CA-O 3.48Å; T257-L321 HydrophobicContact CG2-CD1 3.51Å
258M95Very high92.9Very high3 Ų353.9 Ų53.92%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-132155.8171.363.6169.953.400110.2V248 F249 V260 V275 L318 I319 I320 L321V248-M258 HydrophobicContact CG1-CB 4.41Å; F249-M258 HydrophobicContact CD1-CB 4.36Å; F249-M258 HydrophobicContact CD1-CE 3.83Å; F249-M258 HydrophobicContact CE1-CE 3.01Å; F249-M258 HydrophobicContact CZ-CE 3.4Å; F249-M258 VanDerWaalsContact CZ-CE 3.4Å; M258-V260 HydrophobicContact CG-CG2 4.36Å; M258-V260 HydrophobicContact SD-CG2 3.85Å; M258-V275 HydrophobicContact CE-CG1 3.33Å; M258-V275 HydrophobicContact SD-CG1 3.63Å; M258-V275 HydrophobicContact SD-CG2 4.42Å; M258-L318 HydrophobicContact CE-CD1 3.73Å; M258-L318 HydrophobicContact CE-CD2 3.79Å; M258-L318 HydrophobicContact CE-CG 4.29Å; M258-L318 HydrophobicContact CG-CD1 4.16Å; M258-L318 HydrophobicContact SD-CD1 4.43Å; M258-L318 HydrophobicContact SD-CD2 4.28Å; M258-I319 PolarHBondContact N-O 3.23Å; M258-I320 HydrophobicContact CG-CB 4.33Å; M258-I320 HydrophobicContact CG-CG1 3.97Å; M258-I320 HydrophobicContact CG-CG2 4.2Å; M258-I320 HydrophobicContact SD-CD1 4.35Å; M258-I320 HydrophobicContact SD-CG1 4.05Å; M258-I320 HydrophobicContact SD-CG2 4.43Å; M258-L321 PolarHBondContact O-N 3.33Å
259T94.5Very high92.6Very high91 Ų9153.9 Ų53.956%0.55830%0.298SS*.EExtended strand (participates in β ladder)trans-105.4127.8170.9-53.60000108.8L321T259-L321 CarbonylContact C-O 3.33Å; T259-L321 WeakPolarHBondContact CA-O 3.07Å
260V93.4Very high92.4Very high14 Ų1454 Ų549%0.08530%0.303CS..EExtended strand (participates in β ladder)trans-117126.4175174.30000108.4M258 L262 K273 V275 I320 L321 F322 S323M258-V260 HydrophobicContact CG-CG2 4.36Å; M258-V260 HydrophobicContact SD-CG2 3.85Å; V260-L262 HydrophobicContact CG1-CD2 4.12Å; V260-L262 HydrophobicContact CG1-CG 4.45Å; V260-K273 HydrophobicContact CG1-CD 4.19Å; V260-V275 HydrophobicContact CG2-CG2 4.49Å; V260-I320 HydrophobicContact CB-CG2 3.94Å; V260-I320 HydrophobicContact CG2-CG2 3.61Å; V260-L321 PolarHBondContact N-O 3.24Å; V260-F322 HydrophobicContact CB-CD1 4.24Å; V260-F322 HydrophobicContact CB-CE1 4.33Å; V260-F322 HydrophobicContact CG1-CD1 4.44Å; V260-F322 HydrophobicContact CG1-CE1 4.42Å; V260-F322 WeakPolarHBondContact O-CA 3.46Å; V260-S323 PolarHBondContact O-N 3.11Å
261E92.6Very high92.3Very high126 Ų12650.9 Ų50.959%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-84.6130.5171.9-65.4178.5177.400109.7K273 S323 V325E261-K273 PolarHBondContact O-NZ 2.94Å; E261-S323 CarbonylContact C-O 3.56Å; E261-S323 WeakPolarHBondContact CA-O 3.33Å; E261-V325 HydrophobicContact CB-CG2 4.27Å
262L93.2Very high92.2Very high0 Ų056.1 Ų56.10%031%0.309CS..EExtended strand (participates in β ladder)trans-120143.3175.5-65.7-180000109.7V260 E266 F271 K273 I293 F322 S323 V324 V325V260-L262 HydrophobicContact CG1-CD2 4.12Å; V260-L262 HydrophobicContact CG1-CG 4.45Å; L262-E266 WeakPolarHBondContact CA-OE2 3.06Å; L262-E266 HydrophobicContact CB-CB 4.39Å; L262-E266 HydrophobicContact CD2-CB 4.43Å; L262-F271 HydrophobicContact CD1-CD1 3.97Å; L262-F271 HydrophobicContact CD1-CE1 3.54Å; L262-F271 HydrophobicContact CD1-CZ 3.96Å; L262-F271 HydrophobicContact CD2-CD1 4.07Å; L262-F271 HydrophobicContact CD2-CD2 4.02Å; L262-F271 HydrophobicContact CD2-CE1 4.1Å; L262-F271 HydrophobicContact CD2-CE2 4.03Å; L262-F271 HydrophobicContact CD2-CG 4.05Å; L262-F271 HydrophobicContact CD2-CZ 4.08Å; L262-F271 HydrophobicContact CG-CE1 4.5Å; L262-K273 HydrophobicContact CD2-CD 4.44Å; L262-I293 HydrophobicContact CD1-CD1 4.12Å; L262-I293 HydrophobicContact CD1-CG2 4.28Å; L262-F322 HydrophobicContact CD1-CB 4.32Å; L262-F322 HydrophobicContact CD1-CD1 3.32Å; L262-F322 HydrophobicContact CD1-CE1 3.85Å; L262-F322 HydrophobicContact CD1-CG 4.04Å; L262-F322 HydrophobicContact CG-CD1 3.8Å; L262-F322 HydrophobicContact CG-CE1 4.39Å; L262-S323 PolarHBondContact N-O 3.37Å; L262-V324 CarbonylContact O-C 3.49Å; L262-V324 WeakPolarHBondContact O-CA 3.38Å; L262-V325 PolarHBondContact O-N 3.1Å
263Q93.1Very high92.1Very high100 Ų10054.2 Ų54.247%0.46730%0.299SS..EExtended strand (participates in β ladder)trans-72.5153.3167.8-62.2-62-47.100110.1V265 E266 A267Q263-V265 PolarHBondContact O-N 2.88Å; Q263-E266 HydrophobicContact CB-CB 4.44Å; Q263-E266 HydrophobicContact CB-CG 4.08Å; Q263-E266 PolarHBondContact N-OE2 2.88Å; Q263-E266 WeakPolarHBondContact O-CB 3.47Å; Q263-E266 PolarHBondContact O-N 3.19Å; Q263-A267 PolarHBondContact O-N 2.85Å
264L90.4Very high92.3Very high49 Ų4955.9 Ų55.926%0.25730%0.299SS..Hα-helixtrans-53.4-39.8177.8-177.362.8000112.7A267 L268 V324 V325 F326L264-A267 PolarHBondContact O-N 3.49Å; L264-L268 HydrophobicContact CD1-CD1 4.13Å; L264-L268 HydrophobicContact CD1-CG 4.35Å; L264-L268 HydrophobicContact CG-CD1 4.07Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.33Å; L264-L268 PolarHBondContact O-N 2.81Å; L264-L268 VanDerWaalsContact O-N 3.16Å; L264-V324 HydrophobicContact CB-CG1 4.36Å; L264-V324 HydrophobicContact CD1-CG1 4.06Å; L264-V325 PolarHBondContact N-O 2.89Å; L264-F326 HydrophobicContact CD1-CD1 4.39Å; L264-F326 HydrophobicContact CD1-CE1 3.91Å; L264-F326 HydrophobicContact CD1-CZ 4.21Å; L264-F326 HydrophobicContact CD2-CD1 3.96Å; L264-F326 HydrophobicContact CD2-CE1 4.06Å
265V90.1Very high92.3Very high103 Ų10352.8 Ų52.862%0.62429%0.286SS*.Hα-helixtrans-65.5-39.6177.5-178.60000111.6Q263 A267 L268 C269Q263-V265 PolarHBondContact O-N 2.88Å; V265-A267 VanDerWaalsContact C-N 3.33Å; V265-L268 PolarHBondContact O-N 3Å; V265-C269 HydrophobicContact CG1-CB 4.42Å; V265-C269 VanDerWaalsContact O-CB 3.27Å; V265-C269 WeakPolarHBondContact O-CB 3.42Å; V265-C269 PolarHBondContact O-N 3.12Å
266E91.5Very high92.1Very high63 Ų6358.1 Ų58.129%0.29431%0.31SS..Hα-helixtrans-66.3-37.3177.3-67.2175.9154.300111.6L262 Q263 L268 G270 F271L262-E266 WeakPolarHBondContact CA-OE2 3.06Å; L262-E266 HydrophobicContact CB-CB 4.39Å; L262-E266 HydrophobicContact CD2-CB 4.43Å; Q263-E266 HydrophobicContact CB-CB 4.44Å; Q263-E266 HydrophobicContact CB-CG 4.08Å; Q263-E266 PolarHBondContact N-OE2 2.88Å; Q263-E266 WeakPolarHBondContact O-CB 3.47Å; Q263-E266 PolarHBondContact O-N 3.19Å; E266-L268 VanDerWaalsContact C-N 3.32Å; E266-L268 PolarHBondContact O-N 2.68Å; E266-G270 CarbonylContact O-C 3.51Å; E266-G270 WeakPolarHBondContact O-CA 3.49Å; E266-G270 PolarHBondContact O-N 2.91Å; E266-F271 HydrophobicContact CB-CB 3.95Å; E266-F271 HydrophobicContact CG-CB 4.27Å
267A91.5Very high91.9Very high2 Ų258.7 Ų58.72%0.01731%0.313CS..Hα-helixtrans-70.1-27.4178.400000113.4Q263 L264 V265 I293 V324Q263-A267 PolarHBondContact O-N 2.85Å; L264-A267 PolarHBondContact O-N 3.49Å; V265-A267 VanDerWaalsContact C-N 3.33Å; A267-I293 HydrophobicContact CB-CB 4.48Å; A267-I293 PolarHBondContact O-N 2.8Å; A267-V324 HydrophobicContact CB-CG1 4.07Å; A267-V324 HydrophobicContact CB-CG2 3.85Å
268L89.4Confident91.6Very high75 Ų7558.5 Ų58.539%0.39331%0.312SS..Hα-helixtrans-95.5-42.6-179-65.6176.4000113.4L264 V265 E266 L292L264-L268 HydrophobicContact CD1-CD1 4.13Å; L264-L268 HydrophobicContact CD1-CG 4.35Å; L264-L268 HydrophobicContact CG-CD1 4.07Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.33Å; L264-L268 PolarHBondContact O-N 2.81Å; L264-L268 VanDerWaalsContact O-N 3.16Å; V265-L268 PolarHBondContact O-N 3Å; E266-L268 VanDerWaalsContact C-N 3.32Å; E266-L268 PolarHBondContact O-N 2.68Å; L268-L292 HydrophobicContact CD2-CD1 3.45Å; L268-L292 VanDerWaalsContact CD2-CD1 3.45Å; L268-L292 HydrophobicContact CD2-CG 4.23Å
269C87.1Confident91.2Very high79 Ų7960.3 Ų60.353%0.53432%0.322SS..Hα-helixtrans-97.10.2-172-60.70000113.5V265 P289V265-C269 HydrophobicContact CG1-CB 4.42Å; V265-C269 VanDerWaalsContact O-CB 3.27Å; V265-C269 WeakPolarHBondContact O-CB 3.42Å; V265-C269 PolarHBondContact O-N 3.12Å; C269-P289 WeakPolarHBondContact O-CA 3.49Å; C269-P289 WeakPolarHBondContact O-CB 3.48Å
270G90.6Very high90.9Very high16 Ų1662.8 Ų62.817%0.16533%0.332CS..  trans83.4164.7-171.600000112.4E266 C287E266-G270 CarbonylContact O-C 3.51Å; E266-G270 WeakPolarHBondContact O-CA 3.49Å; E266-G270 PolarHBondContact O-N 2.91Å; G270-C287 WeakPolarHBondContact CA-O 3.07Å
271F92.5Very high90.7Very high15 Ų1567 Ų677%0.06635%0.346CS..EExtended strand (participates in β ladder)trans-154161.7-177.668.1-84.4000111.8L262 E266 K273 I285 T286 C287 I293 F322L262-F271 HydrophobicContact CD1-CD1 3.97Å; L262-F271 HydrophobicContact CD1-CE1 3.54Å; L262-F271 HydrophobicContact CD1-CZ 3.96Å; L262-F271 HydrophobicContact CD2-CD1 4.07Å; L262-F271 HydrophobicContact CD2-CD2 4.02Å; L262-F271 HydrophobicContact CD2-CE1 4.1Å; L262-F271 HydrophobicContact CD2-CE2 4.03Å; L262-F271 HydrophobicContact CD2-CG 4.05Å; L262-F271 HydrophobicContact CD2-CZ 4.08Å; L262-F271 HydrophobicContact CG-CE1 4.5Å; E266-F271 HydrophobicContact CB-CB 3.95Å; E266-F271 HydrophobicContact CG-CB 4.27Å; F271-K273 HydrophobicContact CD2-CB 3.82Å; F271-K273 HydrophobicContact CE2-CB 4.14Å; F271-I285 HydrophobicContact CE2-CG2 4.14Å; F271-I285 HydrophobicContact CZ-CG2 4.34Å; F271-T286 WeakPolarHBondContact O-CA 3.44Å; F271-C287 HydrophobicContact CD1-CB 3.63Å; F271-C287 HydrophobicContact CE1-CB 3.36Å; F271-C287 HydrophobicContact CG-CB 4.43Å; F271-C287 HydrophobicContact CZ-CB 4Å; F271-C287 PolarHBondContact N-O 2.82Å; F271-C287 PolarHBondContact O-N 2.81Å; F271-I293 HydrophobicContact CE1-CD1 3.55Å; F271-I293 HydrophobicContact CZ-CD1 4.1Å; F271-F322 HydrophobicContact CE1-CE1 4.39Å; F271-F322 HydrophobicContact CE2-CE1 4.45Å; F271-F322 AromaticContact CZ-CE1 3.67Å; F271-F322 HydrophobicContact CZ-CE1 3.67Å; F271-F322 HydrophobicContact CZ-CZ 4.08Å
272Q92.4Very high90.7Very high147 Ų14765.2 Ų65.269%0.68735%0.347SS*.EExtended strand (participates in β ladder)trans-130.8114167.3-58.9-170.6-1700107.8L284 I285 T286Q272-L284 HydrophobicContact CB-CD1 4.31Å; Q272-I285 WeakPolarHBondContact CA-O 3.38Å; Q272-T286 HydrophobicContact CB-CG2 4.37Å; Q272-T286 HydrophobicContact CG-CG2 3.89Å
273K90.5Very high90.6Very high71 Ų7166.8 Ų66.831%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-130.2124.1-175.1-163.9164.2-175.8165.50110.4V260 E261 L262 F271 I285V260-K273 HydrophobicContact CG1-CD 4.19Å; E261-K273 PolarHBondContact O-NZ 2.94Å; L262-K273 HydrophobicContact CD2-CD 4.44Å; F271-K273 HydrophobicContact CD2-CB 3.82Å; F271-K273 HydrophobicContact CE2-CB 4.14Å; K273-I285 PolarHBondContact N-O 2.62Å; K273-I285 PolarHBondContact O-N 2.85Å
274P93.3Very high90.6Very high88 Ų8866.8 Ų66.857%0.57136%0.358SS*.EExtended strand (participates in β ladder)trans-75.5132.1174.130.5-32.7000109.7L284P274-L284 HydrophobicContact CB-CD1 4.39Å
275V92.1Very high90.7Very high18 Ų1865.4 Ų65.411%0.10935%0.351CS..EExtended strand (participates in β ladder)trans-119.3130.6175.6166.80000109.1M258 V260 L283 I285M258-V275 HydrophobicContact CE-CG1 3.33Å; M258-V275 HydrophobicContact SD-CG1 3.63Å; M258-V275 HydrophobicContact SD-CG2 4.42Å; V260-V275 HydrophobicContact CG2-CG2 4.49Å; V275-L283 PolarHBondContact N-O 3.45Å; V275-L283 PolarHBondContact O-N 2.65Å; V275-I285 HydrophobicContact CB-CD1 3.63Å; V275-I285 HydrophobicContact CG1-CD1 4.32Å; V275-I285 HydrophobicContact CG2-CD1 3.33Å
276Q91.1Very high90.8Very high148 Ų14863.7 Ų63.769%0.69234%0.341SS*.EExtended strand (participates in β ladder)trans-79.1126.1177-68.7-173.4-19.500110.2F249F249-Q276 VanDerWaalsContact CZ-O 3.25Å; F249-Q276 WeakPolarHBondContact CZ-O 3.29Å
277T90.7Very high90.8Very high13 Ų1361.4 Ų61.48%0.0833%0.331CS..  trans-87.4167.9174.761.80000111.3D279 N280 R281 L283T277-D279 PolarHBondContact O-N 3.47Å; T277-N280 PolarHBondContact O-N 3.27Å; T277-R281 PolarHBondContact N-O 2.88Å; T277-R281 WeakPolarHBondContact OG1-CB 3.34Å; T277-R281 PolarHBondContact OG1-N 2.79Å; T277-R281 PolarHBondContact OG1-O 3.04Å; T277-L283 HydrophobicContact CG2-CB 3.95Å
278L89.4Confident90.6Very high7 Ų767 Ų674%0.03736%0.357CS..THydrogen-bonded Turntrans-66.5-12.5176.7-63.1169.2000113.8L115 E116 F119 N120 F249 L256 N280 M306L115-L278 HydrophobicContact CD2-CD1 3.85Å; L115-L278 HydrophobicContact CD2-CD2 4.21Å; L115-L278 HydrophobicContact CG-CD1 3.81Å; L115-L278 HydrophobicContact CG-CD2 4.37Å; E116-L278 HydrophobicContact CG-CD2 3.89Å; F119-L278 HydrophobicContact CB-CB 4.05Å; F119-L278 HydrophobicContact CB-CD1 4.12Å; F119-L278 HydrophobicContact CD1-CB 4.27Å; F119-L278 HydrophobicContact CD2-CB 3.88Å; F119-L278 HydrophobicContact CD2-CD1 3.5Å; F119-L278 HydrophobicContact CD2-CG 4.31Å; F119-L278 HydrophobicContact CE2-CB 4.37Å; F119-L278 HydrophobicContact CE2-CD1 4.2Å; F119-L278 HydrophobicContact CG-CB 3.79Å; F119-L278 HydrophobicContact CG-CD1 4.06Å; N120-L278 PolarHBondContact ND2-O 3.15Å; F249-L278 HydrophobicContact CD2-CD2 3.78Å; F249-L278 HydrophobicContact CD2-CG 4.26Å; F249-L278 HydrophobicContact CE2-CD2 4.05Å; F249-L278 HydrophobicContact CE2-CG 4.29Å; F249-L278 HydrophobicContact CG-CD2 4.4Å; L256-L278 HydrophobicContact CD1-CD1 3.6Å; L256-L278 HydrophobicContact CD2-CD1 4.39Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-M306 HydrophobicContact CD1-SD 4.22Å
279D86.9Confident90.5Very high42 Ų4268.7 Ų68.723%0.22537%0.372CS..THydrogen-bonded Turntrans-86.13172.9-72-36.3000112.8F119 N120 T277 R281 K315F119-D279 WeakPolarHBondContact CD1-OD1 3.47Å; F119-D279 WeakPolarHBondContact CE1-OD1 3.49Å; F119-D279 VanDerWaalsContact CE1-OD2 3.23Å; F119-D279 WeakPolarHBondContact CE1-OD2 3.43Å; N120-D279 PolarHBondContact OD1-OD1 3.11Å; T277-D279 PolarHBondContact O-N 3.47Å; D279-R281 HydrophobicContact CB-CG 4Å; D279-R281 PolarHBondContact O-N 3.2Å; D279-R281 IonicContact OD2-CZ 2.88Å; D279-R281 IonicContact OD2-NE 3.19Å; D279-R281 PolarHBondContact OD2-NE 2.86Å; D279-R281 IonicContact OD2-NH2 2.73Å; D279-R281 PolarHBondContact OD2-NH2 2.67Å; D279-K315 IonicContact OD2-NZ 3.99Å; D279-K315 PolarHBondContact OD2-NZ 3.41Å; D279-K315 VanDerWaalsContact OD2-NZ 3.14Å
280N87.1Confident90Very high143 Ų14368.3 Ų68.377%0.76538%0.382SS*.SBendtrans60.516.5-166.4-58.6-42.4000114.5T277 L278T277-N280 PolarHBondContact O-N 3.27Å; L278-N280 VanDerWaalsContact C-N 3.3Å
281R90.3Very high89.8Confident102 Ų10272.7 Ų72.739%0.38540%0.398SS..  trans-83.4143.8170.5-61.1-178.9-69.1119.96.3110T277 D279 E304T277-R281 PolarHBondContact N-O 2.88Å; T277-R281 WeakPolarHBondContact OG1-CB 3.34Å; T277-R281 PolarHBondContact OG1-N 2.79Å; T277-R281 PolarHBondContact OG1-O 3.04Å; D279-R281 HydrophobicContact CB-CG 4Å; D279-R281 PolarHBondContact O-N 3.2Å; D279-R281 IonicContact OD2-CZ 2.88Å; D279-R281 IonicContact OD2-NE 3.19Å; D279-R281 PolarHBondContact OD2-NE 2.86Å; D279-R281 IonicContact OD2-NH2 2.73Å; D279-R281 PolarHBondContact OD2-NH2 2.67Å; R281-E304 IonicContact CZ-OE1 3.88Å; R281-E304 IonicContact CZ-OE2 3.73Å; R281-E304 IonicContact NH1-OE1 2.97Å; R281-E304 PolarHBondContact NH1-OE1 3.46Å; R281-E304 IonicContact NH1-OE2 3.6Å; R281-E304 IonicContact NH2-OE1 3.52Å; R281-E304 PolarHBondContact NH2-OE1 3.39Å; R281-E304 IonicContact NH2-OE2 2.81Å; R281-E304 PolarHBondContact NH2-OE2 3.26Å
282S91.1Very high89.5Confident88 Ų8876.5 Ų76.562%0.61542%0.418SS*.EExtended strand (participates in β ladder)trans-90.4114.6171.6-61.60000110.2
283L92Very high89.5Confident34 Ų3469.9 Ų69.918%0.17839%0.388CS..EExtended strand (participates in β ladder)trans-94.4116.9173.6-177.872000108.9V275 T277 I285 V301 E304 L318V275-L283 PolarHBondContact N-O 3.45Å; V275-L283 PolarHBondContact O-N 2.65Å; T277-L283 HydrophobicContact CG2-CB 3.95Å; L283-I285 HydrophobicContact CD2-CG1 4.29Å; L283-I285 HydrophobicContact CG-CG1 4.44Å; L283-I285 PolarHBondContact O-N 2.72Å; L283-V301 HydrophobicContact CD2-CG1 4.17Å; L283-V301 HydrophobicContact CD2-CG2 4.37Å; L283-E304 HydrophobicContact CD1-CG 4.33Å; L283-E304 HydrophobicContact CD2-CB 4.41Å; L283-E304 HydrophobicContact CD2-CG 4.1Å; L283-L318 HydrophobicContact CD2-CD2 4.18Å
284L92.8Very high89.5Confident99 Ų9973 Ų7352%0.51840%0.402SS..EExtended strand (participates in β ladder)trans-82.8109.8175.4-171.767.9000109.4Q272 P274 T286Q272-L284 HydrophobicContact CB-CD1 4.31Å; P274-L284 HydrophobicContact CB-CD1 4.39Å; L284-T286 HydrophobicContact CD2-CG2 4.27Å; L284-T286 HydrophobicContact CG-CG2 4.13Å
285I92.4Very high89.4Confident21 Ų2173 Ų7311%0.10840%0.401CS..EExtended strand (participates in β ladder)trans-90.9129174.3-64.4140.6000108.3F271 Q272 K273 V275 L283 V301 I320F271-I285 HydrophobicContact CE2-CG2 4.14Å; F271-I285 HydrophobicContact CZ-CG2 4.34Å; Q272-I285 WeakPolarHBondContact CA-O 3.38Å; K273-I285 PolarHBondContact N-O 2.62Å; K273-I285 PolarHBondContact O-N 2.85Å; V275-I285 HydrophobicContact CB-CD1 3.63Å; V275-I285 HydrophobicContact CG1-CD1 4.32Å; V275-I285 HydrophobicContact CG2-CD1 3.33Å; L283-I285 HydrophobicContact CD2-CG1 4.29Å; L283-I285 HydrophobicContact CG-CG1 4.44Å; L283-I285 PolarHBondContact O-N 2.72Å; I285-V301 HydrophobicContact CG1-CG2 4.5Å; I285-I320 HydrophobicContact CD1-CD1 3.38Å; I285-I320 HydrophobicContact CG1-CD1 3.91Å; I285-I320 HydrophobicContact CG2-CD1 4.38Å
286T91.9Very high89.3Confident67 Ų6774.4 Ų74.441%0.41142%0.419SS..EExtended strand (participates in β ladder)trans-122131.5-176.958.80000110.2F271 Q272 L284F271-T286 WeakPolarHBondContact O-CA 3.44Å; Q272-T286 HydrophobicContact CB-CG2 4.37Å; Q272-T286 HydrophobicContact CG-CG2 3.89Å; L284-T286 HydrophobicContact CD2-CG2 4.27Å; L284-T286 HydrophobicContact CG-CG2 4.13Å
287C91.8Very high89.4Confident14 Ų1469.6 Ų69.610%0.09540%0.398CS..EExtended strand (participates in β ladder)trans-114.3126.1166.6-169.40000107.5G270 F271G270-C287 WeakPolarHBondContact CA-O 3.07Å; F271-C287 HydrophobicContact CD1-CB 3.63Å; F271-C287 HydrophobicContact CE1-CB 3.36Å; F271-C287 HydrophobicContact CG-CB 4.43Å; F271-C287 HydrophobicContact CZ-CB 4Å; F271-C287 PolarHBondContact N-O 2.82Å; F271-C287 PolarHBondContact O-N 2.81Å
288H88.3Confident89.5Confident120 Ų12075.4 Ų75.456%0.55642%0.422SS*.  trans-71.8144.6-176.4-67.8-68.9000110.6G290 E291H288-G290 PolarHBondContact O-N 2.95Å; H288-E291 HydrophobicContact CB-CG 4.43Å; H288-E291 PolarHBondContact N-OE2 3.47Å; H288-E291 WeakPolarHBondContact O-CB 3.46Å; H288-E291 PolarHBondContact O-N 3.21Å
289P85.6Confident89.7Confident110 Ų11080.1 Ų80.171%0.71444%0.443SS*.THydrogen-bonded Turntrans-55.6129.3173.6-25.234.7000111.2C269C269-P289 WeakPolarHBondContact O-CA 3.49Å; C269-P289 WeakPolarHBondContact O-CB 3.48Å
290G77.6Confident90Very high71 Ų7181.5 Ų81.573%0.73246%0.455SS*.THydrogen-bonded Turntrans98.6-14.7-175.200000114.6H288H288-G290 PolarHBondContact O-N 2.95Å
291E86Confident90.3Very high108 Ų10876.7 Ų76.751%0.50543%0.43SS..PPolyproline II helixtrans-85119.8167.4-65.9-176.415600109.9H288H288-E291 HydrophobicContact CB-CG 4.43Å; H288-E291 PolarHBondContact N-OE2 3.47Å; H288-E291 WeakPolarHBondContact O-CB 3.46Å; H288-E291 PolarHBondContact O-N 3.21Å
292L87.2Confident90.4Very high95 Ų9577.8 Ų77.850%0.49744%0.443SS..PPolyproline II helixtrans-93130.4-175.3-169.3131.7000111.4L268 K294L268-L292 HydrophobicContact CD2-CD1 3.45Å; L268-L292 VanDerWaalsContact CD2-CD1 3.45Å; L268-L292 HydrophobicContact CD2-CG 4.23Å; L292-K294 HydrophobicContact CD2-CG 3.72Å
293I91.6Very high90.4Very high8 Ų879 Ų794%0.04144%0.443CS..PPolyproline II helixtrans-102.3122.4171.5-60.8-157.8000109.8L262 A267 F271 D297 F322L262-I293 HydrophobicContact CD1-CD1 4.12Å; L262-I293 HydrophobicContact CD1-CG2 4.28Å; A267-I293 HydrophobicContact CB-CB 4.48Å; A267-I293 PolarHBondContact O-N 2.8Å; F271-I293 HydrophobicContact CE1-CD1 3.55Å; F271-I293 HydrophobicContact CZ-CD1 4.1Å; I293-D297 HydrophobicContact CG2-CB 4.21Å; I293-F322 HydrophobicContact CD1-CD1 4.26Å; I293-F322 HydrophobicContact CD1-CD2 3.94Å; I293-F322 HydrophobicContact CD1-CE1 4.14Å; I293-F322 HydrophobicContact CD1-CE2 3.85Å; I293-F322 HydrophobicContact CD1-CG 4.13Å; I293-F322 HydrophobicContact CD1-CZ 3.93Å; I293-F322 HydrophobicContact CG2-CB 3.49Å; I293-F322 VanDerWaalsContact CG2-CB 3.49Å; I293-F322 HydrophobicContact CG2-CD1 4.41Å; I293-F322 HydrophobicContact CG2-CD2 3.81Å; I293-F322 HydrophobicContact CG2-CG 3.64Å
294K90.3Very high90.4Very high138 Ų13878.8 Ų78.860%0.644%0.441SS*.PPolyproline II helixtrans-85.5152.1176.2-61.7-178.9-177.5-179.60110.7L292 G296 D297L292-K294 HydrophobicContact CD2-CG 3.72Å; K294-G296 PolarHBondContact O-N 3.36Å; K294-D297 HydrophobicContact CB-CB 4.3Å; K294-D297 WeakPolarHBondContact O-CB 3.48Å; K294-D297 PolarHBondContact O-N 3.47Å
295P91.8Very high90.4Very high87 Ų8774 Ų7457%0.56542%0.416SS*.THydrogen-bonded Turntrans-56.1127.2168.4-18.628.8000110.6D297 V324P295-D297 VanDerWaalsContact C-N 3.31Å; P295-V324 HydrophobicContact CB-CB 4.4Å; P295-V324 HydrophobicContact CB-CG2 4.37Å; P295-V324 HydrophobicContact CG-CB 4.06Å; P295-V324 HydrophobicContact CG-CG2 4.08Å
296G89.8Confident90.5Very high47 Ų4773 Ų7349%0.48541%0.411SS..THydrogen-bonded Turntrans81.82.6-177.600000115.1K294 F322K294-G296 PolarHBondContact O-N 3.36Å; G296-F322 WeakPolarHBondContact CA-O 3.26Å; G296-F322 PolarHBondContact N-O 3.44Å
297D93Very high90.6Very high47 Ų4770 Ų7025%0.25139%0.392SS..  trans-65.1149.8176.1-163.915.6000111.3I293 K294 P295 K299 F322I293-D297 HydrophobicContact CG2-CB 4.21Å; K294-D297 HydrophobicContact CB-CB 4.3Å; K294-D297 WeakPolarHBondContact O-CB 3.48Å; K294-D297 PolarHBondContact O-N 3.47Å; P295-D297 VanDerWaalsContact C-N 3.31Å; D297-K299 WeakPolarHBondContact OD2-CE 3.36Å; D297-K299 IonicContact OD2-NZ 3.49Å; D297-F322 PolarHBondContact O-N 2.92Å
298K93.6Very high90.6Very high135 Ų13571.1 Ų71.159%0.58740%0.397SS*.EExtended strand (participates in β ladder)trans-122114-176-62.3-177.2-179.8168.80109.5I319 I320 L321K298-I319 HydrophobicContact CB-CG2 4.48Å; K298-I320 WeakPolarHBondContact CA-O 3.43Å; K298-L321 HydrophobicContact CD-CD2 4.36Å; K298-L321 HydrophobicContact CD-CG 4.47Å; K298-L321 HydrophobicContact CG-CD2 3.93Å; K298-L321 HydrophobicContact CG-CG 4.01Å
299K92.6Very high90.6Very high107 Ų10767.6 Ų67.647%0.46538%0.381SS..EExtended strand (participates in β ladder)trans-109160.1169-54.6-70.1-179.6175.10110D297 I320 F322D297-K299 WeakPolarHBondContact OD2-CE 3.36Å; D297-K299 IonicContact OD2-NZ 3.49Å; K299-I320 PolarHBondContact N-O 2.87Å; K299-I320 PolarHBondContact O-N 2.84Å; K299-F322 HydrophobicContact CB-CE2 3.76Å; K299-F322 HydrophobicContact CB-CZ 4.5Å; K299-F322 HydrophobicContact CG-CD2 4.29Å; K299-F322 HydrophobicContact CG-CE2 3.57Å; K299-F322 HydrophobicContact CG-CZ 4.48Å
300C93.4Very high90.7Very high70 Ų7072.8 Ų72.847%0.47339%0.386SS..EExtended strand (participates in β ladder)trans-131.5141179.2620000112.5L318C300-L318 CarbonylContact C-O 3.59Å; C300-L318 WeakPolarHBondContact CA-O 2.95Å
301V93.1Very high91.3Very high42 Ų4276.5 Ų76.526%0.25538%0.378SS..EExtended strand (participates in β ladder)trans-103.9122.4168.3-173.20000108L283 I285 E304 R317 L318 I320L283-V301 HydrophobicContact CD2-CG1 4.17Å; L283-V301 HydrophobicContact CD2-CG2 4.37Å; I285-V301 HydrophobicContact CG1-CG2 4.5Å; V301-E304 HydrophobicContact CG1-CB 4.22Å; V301-E304 HydrophobicContact CG1-CG 3.99Å; V301-R317 WeakPolarHBondContact O-CA 3.21Å; V301-L318 HydrophobicContact CB-CB 4.33Å; V301-L318 PolarHBondContact N-O 2.95Å; V301-L318 PolarHBondContact O-N 3.16Å; V301-I320 HydrophobicContact CG2-CD1 4.16Å
302L92.9Very high91.1Very high126 Ų12674 Ų7466%0.6637%0.371SS*.THydrogen-bonded Turntrans-70.6147.6179.5-58.2177.9000110.3E304L302-E304 PolarHBondContact O-N 2.58Å; L302-E304 VanDerWaalsContact O-N 3.14Å
303N91.3Very high91.1Very high112 Ų11279.2 Ų79.260%0.59939%0.39SS*.THydrogen-bonded Turntrans61.414.6175.8-53.6-40.3000116.5K315 G316N303-K315 WeakPolarHBondContact O-CB 3.37Å; N303-K315 VanDerWaalsContact O-CD 3.26Å; N303-K315 WeakPolarHBondContact O-CD 3.27Å; N303-G316 CarbonylContact C-O 3.59Å; N303-G316 VanDerWaalsContact CA-O 3.27Å; N303-G316 WeakPolarHBondContact CA-O 3.34Å; N303-G316 PolarHBondContact N-O 2.85Å
304E91.9Very high91.1Very high30 Ų3083.2 Ų83.214%0.1441%0.409CS..  trans-113.918.5175.9-69.4-68.3177.500112.8R281 L283 V301 L302 G316 L318R281-E304 IonicContact CZ-OE1 3.88Å; R281-E304 IonicContact CZ-OE2 3.73Å; R281-E304 IonicContact NH1-OE1 2.97Å; R281-E304 PolarHBondContact NH1-OE1 3.46Å; R281-E304 IonicContact NH1-OE2 3.6Å; R281-E304 IonicContact NH2-OE1 3.52Å; R281-E304 PolarHBondContact NH2-OE1 3.39Å; R281-E304 IonicContact NH2-OE2 2.81Å; R281-E304 PolarHBondContact NH2-OE2 3.26Å; L283-E304 HydrophobicContact CD1-CG 4.33Å; L283-E304 HydrophobicContact CD2-CB 4.41Å; L283-E304 HydrophobicContact CD2-CG 4.1Å; V301-E304 HydrophobicContact CG1-CB 4.22Å; V301-E304 HydrophobicContact CG1-CG 3.99Å; L302-E304 PolarHBondContact O-N 2.58Å; L302-E304 VanDerWaalsContact O-N 3.14Å; E304-G316 PolarHBondContact N-O 3.06Å; E304-L318 HydrophobicContact CB-CB 4.03Å
305G92.5Very high91.2Very high0 Ų079 Ų790%039%0.39CS..SBendtrans-88-162.6170.600000113.7F119 G316F119-G305 WeakPolarHBondContact CE2-O 3.24Å; G305-G316 WeakPolarHBondContact CA-O 3.26Å; G305-G316 PolarHBondContact N-O 3.45Å
306M94.5Very high91.2Very high0 Ų075.4 Ų75.40%037%0.369CS..PPolyproline II helixtrans-68.4144.7177.3-68.9-64.6-69.900111.2L115 L118 F119 R251 E254 L256 L278 K315 G316L115-M306 HydrophobicContact CD1-CE 4.02Å; L115-M306 HydrophobicContact CD1-SD 3.81Å; L115-M306 HydrophobicContact CG-SD 4.34Å; L118-M306 HydrophobicContact CB-CE 3.87Å; F119-M306 HydrophobicContact CB-CE 4.47Å; F119-M306 HydrophobicContact CD2-SD 3.77Å; R251-M306 HydrophobicContact CG-CG 3.95Å; E254-M306 WeakPolarHBondContact O-CB 3.45Å; E254-M306 PolarHBondContact O-N 2.76Å; L256-M306 HydrophobicContact CD1-CG 4.38Å; L256-M306 HydrophobicContact CD1-SD 4.19Å; L256-M306 HydrophobicContact CD2-CG 3.67Å; L256-M306 HydrophobicContact CD2-SD 3.74Å; L256-M306 HydrophobicContact CG-CG 3.9Å; L256-M306 HydrophobicContact CG-SD 4.21Å; L278-M306 HydrophobicContact CD1-SD 4.22Å; M306-K315 WeakPolarHBondContact O-CA 3.17Å; M306-G316 PolarHBondContact O-N 2.8Å
307P93.9Very high91.5Very high3 Ų378.9 Ų78.92%0.01937%0.367CS..EExtended strand (participates in β ladder)trans-60.9145.7168.2-20.932.5000111.6F119 K212 G213 E314F119-P307 HydrophobicContact CD1-CG 4.42Å; F119-P307 HydrophobicContact CD2-CG 4.44Å; F119-P307 HydrophobicContact CE1-CG 4.33Å; F119-P307 HydrophobicContact CE2-CG 4.48Å; F119-P307 HydrophobicContact CG-CG 4.45Å; F119-P307 HydrophobicContact CZ-CG 4.41Å; K212-P307 HydrophobicContact CB-CB 4.29Å; G213-P307 WeakPolarHBondContact CA-O 3.34Å; P307-E314 WeakPolarHBondContact CA-O 3.25Å
308I91.6Very high91.6Very high38 Ų3876.7 Ų76.720%0.19536%0.356CS..EExtended strand (participates in β ladder)trans-79.4129.6174-58.7-179.2000108.9E254 R310 R311 E314E254-I308 HydrophobicContact CG-CG1 4.22Å; I308-R310 PolarHBondContact O-N 2.86Å; I308-R311 HydrophobicContact CB-CB 4.24Å; I308-R311 HydrophobicContact CG2-CB 4.34Å; I308-R311 CarbonylContact O-C 3.6Å; I308-R311 WeakPolarHBondContact O-CA 3.38Å; I308-R311 PolarHBondContact O-N 2.78Å; I308-R311 VanDerWaalsContact O-O 3.08Å; I308-E314 HydrophobicContact CD1-CB 3.87Å; I308-E314 HydrophobicContact CG1-CB 4.29Å; I308-E314 PolarHBondContact N-O 3.39Å
309H88.6Confident91.7Very high45 Ų4571.5 Ų71.521%0.20833%0.334CS..THydrogen-bonded Turntrans-57.2133.3178.7-174.855.4000110.9D211 R311D211-H309 IonicContact OD2-CE1 3.02Å; H309-R311 PolarHBondContact O-N 2.89Å
310R88.1Confident91.8Very high219 Ų21966.5 Ų66.583%0.82631%0.312SS*.THydrogen-bonded Turntrans69.9-9.2-172-50.3177176.8179.8-4.4115.9I308I308-R310 PolarHBondContact O-N 2.86Å
311R90Very high91.8Very high149 Ų14965.4 Ų65.456%0.56230%0.302SS*.EExtended strand (participates in β ladder)trans-127.173.7175.1-64.5-172.7-170.7173.71.6110I308 H309 F313 E314I308-R311 HydrophobicContact CB-CB 4.24Å; I308-R311 HydrophobicContact CG2-CB 4.34Å; I308-R311 CarbonylContact O-C 3.6Å; I308-R311 WeakPolarHBondContact O-CA 3.38Å; I308-R311 PolarHBondContact O-N 2.78Å; I308-R311 VanDerWaalsContact O-O 3.08Å; H309-R311 PolarHBondContact O-N 2.89Å; R311-F313 PolarHBondContact O-N 2.94Å; R311-F313 VanDerWaalsContact O-N 3.12Å; R311-E314 HydrophobicContact CB-CB 4.37Å; R311-E314 WeakPolarHBondContact CD-OE2 3.14Å; R311-E314 IonicContact NH1-OE1 3.3Å; R311-E314 IonicContact NH1-OE2 2.67Å; R311-E314 PolarHBondContact NH1-OE2 2.89Å; R311-E314 PolarHBondContact O-N 2.83Å; R311-E314 VanDerWaalsContact O-N 3.11Å
312P80.9Confident91.9Very high57 Ų5763.7 Ų63.737%0.3729%0.291SS..EExtended strand (participates in β ladder)trans-67.5-17.3-170.127.6-35.7000114.2K212K212-P312 HydrophobicContact CD-CB 4.17Å
313F86.9Confident91.9Very high203 Ų20360.2 Ų60.289%0.8928%0.277SS*.EExtended strand (participates in β ladder)trans-83.3-18.9177.9-56.9-71.8000113R311R311-F313 PolarHBondContact O-N 2.94Å; R311-F313 VanDerWaalsContact O-N 3.12Å
314E92.2Very high92Very high92 Ų9255.5 Ų55.543%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-93.5125.2175-68175.7-174.200108.6P307 I308 R311P307-E314 WeakPolarHBondContact CA-O 3.25Å; I308-E314 HydrophobicContact CD1-CB 3.87Å; I308-E314 HydrophobicContact CG1-CB 4.29Å; I308-E314 PolarHBondContact N-O 3.39Å; R311-E314 HydrophobicContact CB-CB 4.37Å; R311-E314 WeakPolarHBondContact CD-OE2 3.14Å; R311-E314 IonicContact NH1-OE1 3.3Å; R311-E314 IonicContact NH1-OE2 2.67Å; R311-E314 PolarHBondContact NH1-OE2 2.89Å; R311-E314 PolarHBondContact O-N 2.83Å; R311-E314 VanDerWaalsContact O-N 3.11Å
315K92.9Very high92.1Very high50 Ų5056.6 Ų56.622%0.21726%0.261CS..EExtended strand (participates in β ladder)trans-118.6147.2178.3-67.7-177.8176.7-173.60109.6F119 D279 N303 M306F119-K315 HydrophobicContact CZ-CD 4.28Å; D279-K315 IonicContact OD2-NZ 3.99Å; D279-K315 PolarHBondContact OD2-NZ 3.41Å; D279-K315 VanDerWaalsContact OD2-NZ 3.14Å; N303-K315 WeakPolarHBondContact O-CB 3.37Å; N303-K315 VanDerWaalsContact O-CD 3.26Å; N303-K315 WeakPolarHBondContact O-CD 3.27Å; M306-K315 WeakPolarHBondContact O-CA 3.17Å
316G92.4Very high91.9Very high11 Ų1162.9 Ų62.911%0.11329%0.288CS..  trans-69.3-163.917100000112.5E254 N303 E304 G305 M306E254-G316 WeakPolarHBondContact O-CA 3.47Å; N303-G316 CarbonylContact C-O 3.59Å; N303-G316 VanDerWaalsContact CA-O 3.27Å; N303-G316 WeakPolarHBondContact CA-O 3.34Å; N303-G316 PolarHBondContact N-O 2.85Å; E304-G316 PolarHBondContact N-O 3.06Å; G305-G316 WeakPolarHBondContact CA-O 3.26Å; G305-G316 PolarHBondContact N-O 3.45Å; M306-G316 PolarHBondContact O-N 2.8Å
317R95.1Very high91.6Very high120 Ų12065.2 Ų65.245%0.45330%0.303SS..PPolyproline II helixtrans-100.7148.7176.550.8174.3-179.4-160.93.9112.1N255 L256 V301 I319N255-R317 VanDerWaalsContact CA-O 3.27Å; N255-R317 WeakPolarHBondContact CA-O 3.35Å; N255-R317 HydrophobicContact CB-CG 4.16Å; N255-R317 VanDerWaalsContact CG-CG 3.45Å; N255-R317 PolarHBondContact ND2-NE 2.72Å; N255-R317 WeakPolarHBondContact OD1-CG 3.14Å; N255-R317 PolarHBondContact OD1-N 2.85Å; N255-R317 VanDerWaalsContact OD1-N 3.13Å; L256-R317 PolarHBondContact N-O 2.74Å; V301-R317 WeakPolarHBondContact O-CA 3.21Å; R317-I319 HydrophobicContact CG-CG1 4.33Å
318L95.1Very high91.3Very high2 Ų270.5 Ų70.51%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-91122.3164.8177.162.7000108.7F249 L256 M258 L283 C300 V301 E304 I320F249-L318 HydrophobicContact CD1-CD1 4.3Å; F249-L318 HydrophobicContact CE1-CD1 4.02Å; L256-L318 HydrophobicContact CB-CD1 3.78Å; L256-L318 CarbonylContact O-C 3.6Å; M258-L318 HydrophobicContact CE-CD1 3.73Å; M258-L318 HydrophobicContact CE-CD2 3.79Å; M258-L318 HydrophobicContact CE-CG 4.29Å; M258-L318 HydrophobicContact CG-CD1 4.16Å; M258-L318 HydrophobicContact SD-CD1 4.43Å; M258-L318 HydrophobicContact SD-CD2 4.28Å; L283-L318 HydrophobicContact CD2-CD2 4.18Å; C300-L318 CarbonylContact C-O 3.59Å; C300-L318 WeakPolarHBondContact CA-O 2.95Å; V301-L318 HydrophobicContact CB-CB 4.33Å; V301-L318 PolarHBondContact N-O 2.95Å; V301-L318 PolarHBondContact O-N 3.16Å; E304-L318 HydrophobicContact CB-CB 4.03Å; L318-I320 HydrophobicContact CD2-CD1 4.3Å; L318-I320 HydrophobicContact CD2-CG1 4.3Å; L318-I320 HydrophobicContact CG-CG1 4.1Å
319I95.4Very high90.8Very high25 Ų2573 Ų7313%0.12836%0.363CS..EExtended strand (participates in β ladder)trans-103.1124.7177.2-55.4172.7000107.3N255 L256 T257 M258 K298 R317N255-I319 HydrophobicContact CB-CD1 4.14Å; L256-I319 PolarHBondContact O-N 3.31Å; T257-I319 CarbonylContact C-O 3.46Å; T257-I319 VanDerWaalsContact CA-O 3.26Å; T257-I319 WeakPolarHBondContact CA-O 3.48Å; M258-I319 PolarHBondContact N-O 3.23Å; K298-I319 HydrophobicContact CB-CG2 4.48Å; R317-I319 HydrophobicContact CG-CG1 4.33Å
320I94.7Very high90.4Very high2 Ų278.5 Ų78.51%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-112.3116.2-178.4-52179.4000107.3M258 V260 I285 K298 K299 V301 L318 F322M258-I320 HydrophobicContact CG-CB 4.33Å; M258-I320 HydrophobicContact CG-CG1 3.97Å; M258-I320 HydrophobicContact CG-CG2 4.2Å; M258-I320 HydrophobicContact SD-CD1 4.35Å; M258-I320 HydrophobicContact SD-CG1 4.05Å; M258-I320 HydrophobicContact SD-CG2 4.43Å; V260-I320 HydrophobicContact CB-CG2 3.94Å; V260-I320 HydrophobicContact CG2-CG2 3.61Å; I285-I320 HydrophobicContact CD1-CD1 3.38Å; I285-I320 HydrophobicContact CG1-CD1 3.91Å; I285-I320 HydrophobicContact CG2-CD1 4.38Å; K298-I320 WeakPolarHBondContact CA-O 3.43Å; K299-I320 PolarHBondContact N-O 2.87Å; K299-I320 PolarHBondContact O-N 2.84Å; V301-I320 HydrophobicContact CG2-CD1 4.16Å; L318-I320 HydrophobicContact CD2-CD1 4.3Å; L318-I320 HydrophobicContact CD2-CG1 4.3Å; L318-I320 HydrophobicContact CG-CG1 4.1Å; I320-F322 HydrophobicContact CB-CE2 4.13Å; I320-F322 HydrophobicContact CB-CZ 4.02Å; I320-F322 HydrophobicContact CG2-CD1 4.18Å; I320-F322 HydrophobicContact CG2-CD2 4.45Å; I320-F322 HydrophobicContact CG2-CE1 3.65Å; I320-F322 HydrophobicContact CG2-CE2 3.92Å; I320-F322 HydrophobicContact CG2-CZ 3.51Å
321L94.7Very high90.2Very high47 Ų4773 Ų7325%0.24638%0.376CS..EExtended strand (participates in β ladder)trans-88123.9169.4-92.1138.4000108.7T257 M258 T259 V260 K298T257-L321 HydrophobicContact CG2-CD1 3.51Å; M258-L321 PolarHBondContact O-N 3.33Å; T259-L321 CarbonylContact C-O 3.33Å; T259-L321 WeakPolarHBondContact CA-O 3.07Å; V260-L321 PolarHBondContact N-O 3.24Å; K298-L321 HydrophobicContact CD-CD2 4.36Å; K298-L321 HydrophobicContact CD-CG 4.47Å; K298-L321 HydrophobicContact CG-CD2 3.93Å; K298-L321 HydrophobicContact CG-CG 4.01Å
322F94.4Very high90Very high7 Ų768 Ų683%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-96124.2177.8-64.3-76.8000111V260 L262 F271 I293 G296 D297 K299 I320V260-F322 HydrophobicContact CB-CD1 4.24Å; V260-F322 HydrophobicContact CB-CE1 4.33Å; V260-F322 HydrophobicContact CG1-CD1 4.44Å; V260-F322 HydrophobicContact CG1-CE1 4.42Å; V260-F322 WeakPolarHBondContact O-CA 3.46Å; L262-F322 HydrophobicContact CD1-CB 4.32Å; L262-F322 HydrophobicContact CD1-CD1 3.32Å; L262-F322 HydrophobicContact CD1-CE1 3.85Å; L262-F322 HydrophobicContact CD1-CG 4.04Å; L262-F322 HydrophobicContact CG-CD1 3.8Å; L262-F322 HydrophobicContact CG-CE1 4.39Å; F271-F322 HydrophobicContact CE1-CE1 4.39Å; F271-F322 HydrophobicContact CE2-CE1 4.45Å; F271-F322 AromaticContact CZ-CE1 3.67Å; F271-F322 HydrophobicContact CZ-CE1 3.67Å; F271-F322 HydrophobicContact CZ-CZ 4.08Å; I293-F322 HydrophobicContact CD1-CD1 4.26Å; I293-F322 HydrophobicContact CD1-CD2 3.94Å; I293-F322 HydrophobicContact CD1-CE1 4.14Å; I293-F322 HydrophobicContact CD1-CE2 3.85Å; I293-F322 HydrophobicContact CD1-CG 4.13Å; I293-F322 HydrophobicContact CD1-CZ 3.93Å; I293-F322 HydrophobicContact CG2-CB 3.49Å; I293-F322 VanDerWaalsContact CG2-CB 3.49Å; I293-F322 HydrophobicContact CG2-CD1 4.41Å; I293-F322 HydrophobicContact CG2-CD2 3.81Å; I293-F322 HydrophobicContact CG2-CG 3.64Å; G296-F322 WeakPolarHBondContact CA-O 3.26Å; G296-F322 PolarHBondContact N-O 3.44Å; D297-F322 PolarHBondContact O-N 2.92Å; K299-F322 HydrophobicContact CB-CE2 3.76Å; K299-F322 HydrophobicContact CB-CZ 4.5Å; K299-F322 HydrophobicContact CG-CD2 4.29Å; K299-F322 HydrophobicContact CG-CE2 3.57Å; K299-F322 HydrophobicContact CG-CZ 4.48Å; I320-F322 HydrophobicContact CB-CE2 4.13Å; I320-F322 HydrophobicContact CB-CZ 4.02Å; I320-F322 HydrophobicContact CG2-CD1 4.18Å; I320-F322 HydrophobicContact CG2-CD2 4.45Å; I320-F322 HydrophobicContact CG2-CE1 3.65Å; I320-F322 HydrophobicContact CG2-CE2 3.92Å; I320-F322 HydrophobicContact CG2-CZ 3.51Å
323S93.8Very high90.2Very high52 Ų5268.2 Ų68.236%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-105.6120.8168.3-173.20000108.3V260 E261 L262V260-S323 PolarHBondContact O-N 3.11Å; E261-S323 CarbonylContact C-O 3.56Å; E261-S323 WeakPolarHBondContact CA-O 3.33Å; L262-S323 PolarHBondContact N-O 3.37Å
324V93.4Very high90.1Very high14 Ų1467.3 Ų67.39%0.08536%0.357CS..EExtended strand (participates in β ladder)trans-93.6118.4-179.7-177.10000108.7L262 L264 A267 P295 F326L262-V324 CarbonylContact O-C 3.49Å; L262-V324 WeakPolarHBondContact O-CA 3.38Å; L264-V324 HydrophobicContact CB-CG1 4.36Å; L264-V324 HydrophobicContact CD1-CG1 4.06Å; A267-V324 HydrophobicContact CB-CG1 4.07Å; A267-V324 HydrophobicContact CB-CG2 3.85Å; P295-V324 HydrophobicContact CB-CB 4.4Å; P295-V324 HydrophobicContact CB-CG2 4.37Å; P295-V324 HydrophobicContact CG-CB 4.06Å; P295-V324 HydrophobicContact CG-CG2 4.08Å; V324-F326 HydrophobicContact CG1-CE2 4.43Å
325V92.9Very high89.8Confident52 Ų5268.7 Ų68.732%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-86.9118.5174.9-178.10000108.2E261 L262 L264E261-V325 HydrophobicContact CB-CG2 4.27Å; L262-V325 PolarHBondContact O-N 3.1Å; L264-V325 PolarHBondContact N-O 2.89Å
326F89Confident89.4Confident132 Ų13270.8 Ų70.858%0.57937%0.372SS*.PPolyproline II helixtrans-78.5148.7173.4-77.9-98000110.4L264 V324L264-F326 HydrophobicContact CD1-CD1 4.39Å; L264-F326 HydrophobicContact CD1-CE1 3.91Å; L264-F326 HydrophobicContact CD1-CZ 4.21Å; L264-F326 HydrophobicContact CD2-CD1 3.96Å; L264-F326 HydrophobicContact CD2-CE1 4.06Å; V324-F326 HydrophobicContact CG1-CE2 4.43Å
327P87.9Confident88.9Confident49 Ų4973.8 Ų73.832%0.31839%0.385SS..PPolyproline II helixtrans-62.4157.7174.527.7-34.3000111.1F331P327-F331 HydrophobicContact CB-CB 3.92Å; P327-F331 HydrophobicContact CB-CD1 3.74Å; P327-F331 HydrophobicContact CB-CD2 3.87Å; P327-F331 HydrophobicContact CB-CE1 4.19Å; P327-F331 HydrophobicContact CB-CE2 4.28Å; P327-F331 HydrophobicContact CB-CG 3.57Å; P327-F331 HydrophobicContact CB-CZ 4.43Å; P327-F331 HydrophobicContact CG-CD1 3.55Å; P327-F331 HydrophobicContact CG-CD2 4.13Å; P327-F331 HydrophobicContact CG-CE1 3.51Å; P327-F331 HydrophobicContact CG-CE2 4.07Å; P327-F331 HydrophobicContact CG-CG 3.87Å; P327-F331 HydrophobicContact CG-CZ 3.77Å
328T88.3Confident88.2Confident115 Ų11575.6 Ų75.671%0.70640%0.396SS*.PPolyproline II helixtrans-63.1159.1-179.652.10000112.2N330 F331T328-N330 PolarHBondContact O-N 3.22Å; T328-F331 WeakPolarHBondContact O-CB 3.45Å; T328-F331 PolarHBondContact O-N 3.25Å
329A81Confident87.7Confident91 Ų9181.1 Ų81.175%0.75242%0.422SS*.THydrogen-bonded Turntrans-54.8139.6174.600000110.8F331A329-F331 VanDerWaalsContact C-N 3.29Å; A329-F331 PolarHBondContact O-N 2.92Å
330N79.8Confident87.2Confident159 Ų15983.3 Ų83.385%0.8543%0.434SS*.THydrogen-bonded Turntrans60.926.4-177.8-55-49.6000115.5T328 L332T328-N330 PolarHBondContact O-N 3.22Å; N330-L332 PolarHBondContact O-N 3.33Å; N330-L332 VanDerWaalsContact O-N 3.14Å
331F83.3Confident86.6Confident104 Ų10487.5 Ų87.546%0.45645%0.453SS..  trans-61.3-22.5-179.983.4-79.5000114.9P327 T328 A329P327-F331 HydrophobicContact CB-CB 3.92Å; P327-F331 HydrophobicContact CB-CD1 3.74Å; P327-F331 HydrophobicContact CB-CD2 3.87Å; P327-F331 HydrophobicContact CB-CE1 4.19Å; P327-F331 HydrophobicContact CB-CE2 4.28Å; P327-F331 HydrophobicContact CB-CG 3.57Å; P327-F331 HydrophobicContact CB-CZ 4.43Å; P327-F331 HydrophobicContact CG-CD1 3.55Å; P327-F331 HydrophobicContact CG-CD2 4.13Å; P327-F331 HydrophobicContact CG-CE1 3.51Å; P327-F331 HydrophobicContact CG-CE2 4.07Å; P327-F331 HydrophobicContact CG-CG 3.87Å; P327-F331 HydrophobicContact CG-CZ 3.77Å; T328-F331 WeakPolarHBondContact O-CB 3.45Å; T328-F331 PolarHBondContact O-N 3.25Å; A329-F331 VanDerWaalsContact C-N 3.29Å; A329-F331 PolarHBondContact O-N 2.92Å
332L85.6Confident86.1Confident43 Ų4392.8 Ų92.823%0.22548%0.476CS..SBendtrans-123.6141.9176.7-84.1167000111.3N330 K336 L337 L340N330-L332 PolarHBondContact O-N 3.33Å; N330-L332 VanDerWaalsContact O-N 3.14Å; L332-K336 HydrophobicContact CD2-CB 3.85Å; L332-K336 HydrophobicContact CD2-CD 3.87Å; L332-K336 HydrophobicContact CD2-CG 4.48Å; L332-L337 HydrophobicContact CB-CD2 3.88Å; L332-L337 HydrophobicContact CB-CG 4.22Å; L332-L337 HydrophobicContact CD1-CD2 4.39Å; L332-L340 HydrophobicContact CD1-CD1 4.08Å
333P86.1Confident85.6Confident62 Ų62101.6 Ų101.640%0.40351%0.511SS..  trans-68.8151.4171.830.6-35.1000111.2H335 K336 L337P333-H335 VanDerWaalsContact CB-CE1 3.43Å; P333-H335 WeakPolarHBondContact CB-CE1 3.4Å; P333-H335 WeakPolarHBondContact CG-CE1 3.24Å; P333-H335 PolarHBondContact O-N 2.82Å; P333-K336 HydrophobicContact CG-CB 4.34Å; P333-K336 HydrophobicContact CG-CD 4.17Å; P333-K336 HydrophobicContact CG-CG 4.09Å; P333-K336 PolarHBondContact O-N 3.04Å; P333-L337 PolarHBondContact O-N 2.83Å
334K84.9Confident85.1Confident185 Ų185103.5 Ų103.580%0.80452%0.516SS*.Hα-helixtrans-52.9-31.3-172.5-64.3-176-179.7-177.60115.1
335H84.6Confident84.5Confident120 Ų120108.4 Ų108.456%0.55655%0.548SS*.Hα-helixtrans-70-37.9178.660.5-88.3000112.5P333 K338P333-H335 VanDerWaalsContact CB-CE1 3.43Å; P333-H335 WeakPolarHBondContact CB-CE1 3.4Å; P333-H335 WeakPolarHBondContact CG-CE1 3.24Å; P333-H335 PolarHBondContact O-N 2.82Å; H335-K338 PolarHBondContact O-N 3.2Å
336K85.2Confident83.9Confident95 Ų95110.6 Ų110.641%0.41357%0.572SS.*Hα-helixtrans-78-20.8177.2-65-168.4178.1-174.80113.3L332 P333 K338 E339 L340L332-K336 HydrophobicContact CD2-CB 3.85Å; L332-K336 HydrophobicContact CD2-CD 3.87Å; L332-K336 HydrophobicContact CD2-CG 4.48Å; P333-K336 HydrophobicContact CG-CB 4.34Å; P333-K336 HydrophobicContact CG-CD 4.17Å; P333-K336 HydrophobicContact CG-CG 4.09Å; P333-K336 PolarHBondContact O-N 3.04Å; K336-K338 PolarHBondContact O-N 2.04Å; K336-E339 WeakPolarHBondContact O-CB 3.44Å; K336-E339 PolarHBondContact O-N 3.15Å; K336-L340 PolarHBondContact O-N 2.94Å
337L81.8Confident83.5Confident73 Ų73112 Ų11238%0.38258%0.578SS.*Hα-helixtrans-63.2-33.2172.4-70.6176.2000111.8L332 P333 E339 L340 E341L332-L337 HydrophobicContact CB-CD2 3.88Å; L332-L337 HydrophobicContact CB-CG 4.22Å; L332-L337 HydrophobicContact CD1-CD2 4.39Å; P333-L337 PolarHBondContact O-N 2.83Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-L340 PolarHBondContact O-N 3.23Å; L337-E341 PolarHBondContact O-N 3.23Å
338K81Confident82.9Confident159 Ų159115.1 Ų115.169%0.69160%0.601SS**Hα-helixtrans-66.5-34.9173.5-65.2-172.3177.2-173.20112.5H335 K336 H342H335-K338 PolarHBondContact O-N 3.2Å; K336-K338 PolarHBondContact O-N 2.04Å; K338-H342 PolarHBondContact O-N 3.38Å
339E84.9Confident82.2Confident118 Ų118118.3 Ų118.355%0.55161%0.608SS**Hα-helixtrans-67.9-40.9173.9-63.8173.7-175.300110.9K336 L337 E341 H342 Y343K336-E339 WeakPolarHBondContact O-CB 3.44Å; K336-E339 PolarHBondContact O-N 3.15Å; L337-E339 VanDerWaalsContact C-N 3.33Å; E339-E341 VanDerWaalsContact C-N 3.33Å; E339-E341 PolarHBondContact O-N 2.77Å; E339-H342 WeakPolarHBondContact O-CB 3.12Å; E339-H342 PolarHBondContact O-N 3.4Å; E339-Y343 WeakPolarHBondContact O-CD2 3.49Å; E339-Y343 WeakPolarHBondContact O-CE2 3.42Å
340L83.8Confident81.6Confident70 Ų70118.1 Ų118.137%0.36661%0.606SS.*Hα-helixtrans-63.5-38.5176.3-171.1119.9000112.2L332 K336 L337 H342 Y343 L344L332-L340 HydrophobicContact CD1-CD1 4.08Å; K336-L340 PolarHBondContact O-N 2.94Å; L337-L340 PolarHBondContact O-N 3.23Å; L340-H342 PolarHBondContact O-N 3.4Å; L340-Y343 PolarHBondContact O-N 3.19Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; L340-L344 HydrophobicContact CD2-CD1 3.6Å; L340-L344 HydrophobicContact CG-CD1 4.28Å; L340-L344 PolarHBondContact O-N 2.94Å
341E82.4Confident80.7Confident90 Ų90119.7 Ų119.742%0.42161%0.609SS.*Hα-helixtrans-59.9-29.8175.7-172.2167.3-157.700112.4L337 E339 Y343 L344 K347L337-E341 PolarHBondContact O-N 3.23Å; E339-E341 VanDerWaalsContact C-N 3.33Å; E339-E341 PolarHBondContact O-N 2.77Å; E341-Y343 VanDerWaalsContact C-N 3.29Å; E341-Y343 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 3.14Å; E341-K347 WeakPolarHBondContact OE1-CE 3.48Å; E341-K347 IonicContact OE1-NZ 2.68Å; E341-K347 PolarHBondContact OE1-NZ 3.15Å; E341-K347 IonicContact OE2-NZ 3.81Å
342H84.6Confident79.6Confident158 Ų158122.8 Ų122.873%0.73162%0.624SS**Hα-helixtrans-68.6-26.2176.7-167.963.6000113.6K338 E339 L340K338-H342 PolarHBondContact O-N 3.38Å; E339-H342 WeakPolarHBondContact O-CB 3.12Å; E339-H342 PolarHBondContact O-N 3.4Å; L340-H342 PolarHBondContact O-N 3.4Å
343Y82.6Confident78.6Confident193 Ų193124.5 Ų124.576%0.75764%0.638SS**Hα-helixtrans-92.2-8-179.9-62.4-73.6000113.3E339 L340 E341E339-Y343 WeakPolarHBondContact O-CD2 3.49Å; E339-Y343 WeakPolarHBondContact O-CE2 3.42Å; L340-Y343 PolarHBondContact O-N 3.19Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; E341-Y343 VanDerWaalsContact C-N 3.29Å; E341-Y343 PolarHBondContact O-N 3.42Å
344L84Confident77.2Confident92 Ų92131 Ų13148%0.48266%0.663SS.*SBendtrans-105.2158-178.4-68.5178.8000111.1L340 E341L340-L344 HydrophobicContact CD2-CD1 3.6Å; L340-L344 HydrophobicContact CG-CD1 4.28Å; L340-L344 PolarHBondContact O-N 2.94Å; E341-L344 PolarHBondContact O-N 3.14Å
345P81.5Confident76Confident116 Ų116127 Ų12775%0.75366%0.658SS**PPolyproline II helixtrans-58.7147.8173.823-32.6000111.5
346A80.5Confident74.5Confident99 Ų99127.5 Ų127.582%0.81866%0.662SS**PPolyproline II helixtrans-57.1142.917900000111S348A346-S348 PolarHBondContact O-N 2.95Å
347K78.9Confident73.2Confident161 Ų161128.9 Ų128.970%0.767%0.674SS**PPolyproline II helixtrans-58.8135171.7-69.7170.9178.6151.60108.5E341 E349E341-K347 WeakPolarHBondContact OE1-CE 3.48Å; E341-K347 IonicContact OE1-NZ 2.68Å; E341-K347 PolarHBondContact OE1-NZ 3.15Å; E341-K347 IonicContact OE2-NZ 3.81Å; K347-E349 PolarHBondContact O-N 2.81Å
348S76.9Confident72Confident114 Ų114132.2 Ų132.280%0.79769%0.692SS**PPolyproline II helixtrans-56.6135.9168.249.70000108.8A346 A350A346-S348 PolarHBondContact O-N 2.95Å; S348-A350 PolarHBondContact O-N 3.11Å
349E73.1Confident70.9Confident182 Ų182132.3 Ų132.385%0.8570%0.701SS**PPolyproline II helixtrans-54.4133.7174.4-67.3-178.5172.600108.6K347 E351K347-E349 PolarHBondContact O-N 2.81Å; E349-E351 PolarHBondContact O-N 3.26Å
350A67.6Low69.6Low87 Ų87132.4 Ų132.472%0.71970%0.704SS**  trans-63.9111.4174.500000106.7S348 Q352S348-A350 PolarHBondContact O-N 3.11Å; A350-Q352 VanDerWaalsContact C-N 3.32Å; A350-Q352 PolarHBondContact O-N 3.2Å
351E62.3Low68.4Low193 Ų193133.8 Ų133.890%0.90271%0.705SS**  trans-59.3101.3169.7-71.8-179.3178.800107.1E349 P353E349-E351 PolarHBondContact O-N 3.26Å; E351-P353 WeakPolarHBondContact O-CD 3.17Å
352Q60.1Low67.7Low169 Ų169137 Ų13779%0.7972%0.724SS**  trans-79.7113.8167-69.9-175.3-14.500105.6A350 E354A350-Q352 VanDerWaalsContact C-N 3.32Å; A350-Q352 PolarHBondContact O-N 3.2Å; Q352-E354 PolarHBondContact O-N 2.85Å
353P64.4Low66.9Low78 Ų78139.6 Ų139.651%0.50673%0.729SS.*  trans-57.9124.9178.921-29.7000109.5E351 S355 Y361E351-P353 WeakPolarHBondContact O-CD 3.17Å; P353-S355 PolarHBondContact O-N 3.08Å; P353-Y361 HydrophobicContact CG-CE1 4.31Å
354E56.1Low66.4Low200 Ų200134.4 Ų134.494%0.93573%0.726SS**SBendtrans-68.6-6.2-166.3-65-173.816200114.9Q352Q352-E354 PolarHBondContact O-N 2.85Å
355S58.7Low66.1Low101 Ų101137.4 Ų137.471%0.70674%0.742SS**SBendtrans-161.994.6178.153.70000111.5P353P353-S355 PolarHBondContact O-N 3.08Å
356M54.3Low65.8Low130 Ų130140.4 Ų140.464%0.6475%0.751SS**  trans-167.4129.9160.7-108.1160.8115.700110.3L360 Y361M356-L360 HydrophobicContact CE-CD2 4.49Å; M356-Y361 PolarHBondContact O-OH 2.76Å
357D58.3Low65.6Low124 Ų124143.6 Ų143.666%0.66375%0.749SS**  trans-50.8138.2-171.2-62.5-48.5000113.5D359 L360D357-D359 PolarHBondContact O-N 2.94Å; D357-L360 PolarHBondContact O-N 3.45Å
358D56.5Low65.3Low142 Ų142143.5 Ų143.576%0.75976%0.756SS**G310 helixtrans-56.5-19.4-178.9-81-27.3000113.9L360D358-L360 VanDerWaalsContact C-N 3.3Å; D358-L360 PolarHBondContact O-N 3.48Å
359D57.6Low65.1Low162 Ų162144.1 Ų144.187%0.86676%0.759SS**G310 helixtrans-80.3-3.1179.6-65.8-23.1000114D357D357-D359 PolarHBondContact O-N 2.94Å
360L57.9Low65.2Low120 Ų120139.2 Ų139.263%0.62874%0.739SS**G310 helixtrans-104.81.6179.1-96.5104.6000115.3M356 D357 D358M356-L360 HydrophobicContact CE-CD2 4.49Å; D357-L360 PolarHBondContact O-N 3.45Å; D358-L360 VanDerWaalsContact C-N 3.3Å; D358-L360 PolarHBondContact O-N 3.48Å
361Y58.8Low65Low98 Ų98140.4 Ų140.438%0.38474%0.739SS.*  trans-83.7120.3177.9-65-84.1000112.2P353 M356P353-Y361 HydrophobicContact CG-CE1 4.31Å; M356-Y361 PolarHBondContact O-OH 2.76Å
362I66.3Low65.1Low158 Ų158134.9 Ų134.981%0.8173%0.726SS**  trans-98.3108.3163.4-57.6173.9000107A364I362-A364 PolarHBondContact O-N 3.03Å
363Y67.9Low65Low212 Ų212135.7 Ų135.783%0.83172%0.722SS**  trans-67.8113.1167.1-65.6-85.2000108.1
364A72.6Confident64.5Low85 Ų85136.9 Ų136.970%0.70273%0.728SS**  trans-107.7113.3174.900000108.6I362I362-A364 PolarHBondContact O-N 3.03Å
365D77.5Confident64.3Low154 Ų154137.9 Ų137.982%0.82472%0.723SS**PPolyproline II helixtrans-70139.3166.5-70.3-36.9000109.1E367D365-E367 PolarHBondContact O-N 3.15Å
366L74.6Confident63.9Low179 Ų179144.5 Ų144.594%0.93773%0.732SS**PPolyproline II helixtrans-72.8116.9175-68.8170.6000109.2
367E76.8Confident63.3Low167 Ų167142.5 Ų142.578%0.7873%0.731SS**PPolyproline II helixtrans-97.7152.3170.3-64.4-171.1173.800111.3D365 C369D365-E367 PolarHBondContact O-N 3.15Å; E367-C369 PolarHBondContact O-N 3.49Å; E367-C369 VanDerWaalsContact O-N 3.17Å
368D73.1Confident62.5Low158 Ų158144.6 Ų144.685%0.84574%0.737SS**PPolyproline II helixtrans-61.1119.1172.9-71.8-36.4000110.1D370D368-D370 PolarHBondContact O-N 2.98Å
369C73.4Confident61.8Low127 Ų127148.2 Ų148.286%0.85874%0.742SS**  trans-77.587179.1-157.70000109.8E367 P371E367-C369 PolarHBondContact O-N 3.49Å; E367-C369 VanDerWaalsContact O-N 3.17Å; C369-P371 WeakPolarHBondContact O-CD 3.4Å
370D73.4Confident60.9Low79 Ų79148.5 Ų148.542%0.42274%0.738SS.*  trans-89.5104.5168.7-175.8-1.7000110D368 A372 R373D368-D370 PolarHBondContact O-N 2.98Å; D370-A372 PolarHBondContact O-N 2.8Å; D370-A372 WeakPolarHBondContact OD1-CB 3.48Å; D370-A372 PolarHBondContact OD1-N 3.21Å; D370-R373 HydrophobicContact CB-CB 4.32Å; D370-R373 HydrophobicContact CB-CG 4.34Å; D370-R373 PolarHBondContact O-N 3.21Å
371P64.4Low59.9Low113 Ų113153 Ų15373%0.73475%0.748SS**THydrogen-bonded Turntrans-62.2-13.3179.824.2-33.1000113.7C369C369-P371 WeakPolarHBondContact O-CD 3.4Å
372A64.8Low58.9Low76 Ų76156.7 Ų156.763%0.62877%0.771SS**THydrogen-bonded Turntrans-81.5-23.2174.200000113.6D370D370-A372 PolarHBondContact O-N 2.8Å; D370-A372 WeakPolarHBondContact OD1-CB 3.48Å; D370-A372 PolarHBondContact OD1-N 3.21Å
373R57.6Low57.9Low186 Ų186155.8 Ų155.870%0.70277%0.772SS**G310 helixtrans-71.8-28.4-178.5-96.9-178.7166-167.4-3113.7D370 R375 R376D370-R373 HydrophobicContact CB-CB 4.32Å; D370-R373 HydrophobicContact CB-CG 4.34Å; D370-R373 PolarHBondContact O-N 3.21Å; R373-R375 VanDerWaalsContact C-N 3.3Å; R373-R375 PolarHBondContact O-N 3.24Å; R373-R376 PolarHBondContact O-N 3.1Å
374V53.7Low56.8Low103 Ų103154.2 Ų154.262%0.62477%0.772SS**G310 helixtrans-67.9-25.6-171.2-177.50000113.3R376V374-R376 VanDerWaalsContact C-N 3.29Å; V374-R376 PolarHBondContact O-N 3.17Å
375R51.7Low55.1Low222 Ų222157.8 Ų157.884%0.83878%0.779SS**G310 helixtrans-72.2-13.4-176.8-76.4-170.5177-172.7-0.3115.4R373R373-R375 VanDerWaalsContact C-N 3.3Å; R373-R375 PolarHBondContact O-N 3.24Å
376R50.2Low53.3Low239 Ų239157.7 Ų157.790%0.90278%0.779SS**G310 helixtrans-93.2-17.2-179.4-97.3-179.1173.6172-2114.6R373 V374R373-R376 PolarHBondContact O-N 3.1Å; V374-R376 VanDerWaalsContact C-N 3.29Å; V374-R376 PolarHBondContact O-N 3.17Å
377S43.1Very low51.6Low88 Ų88159.5 Ų159.562%0.61578%0.775SS**THydrogen-bonded Turntrans-86.5-19.9-174.6-161.70000113.6Y379S377-Y379 VanDerWaalsContact C-N 3.32Å; S377-Y379 PolarHBondContact O-N 2.95Å
378Q39.9Very low50.1Low168 Ų168156.6 Ų156.679%0.78577%0.771SS**THydrogen-bonded Turntrans-81.7-1.6-170.9-150.1167.329.800115.3
379Y42.9Very low48.6Very low218 Ų218155.1 Ų155.186%0.85577%0.772SS**THydrogen-bonded Turntrans-102.20.2-179.3-92.2-79.6000115.1S377S377-Y379 VanDerWaalsContact C-N 3.32Å; S377-Y379 PolarHBondContact O-N 2.95Å
380H39.3Very low46.8Very low169 Ų169153.9 Ų153.978%0.78277%0.772SS**SBendtrans-104-4.2-173.7-148.618.4000115.9
381Y36.8Very low44.9Very low214 Ų214154 Ų15484%0.83979%0.791SS**SBendtrans-113.437.5-177-83.1-77.6000114.1
382M37.9Very low43.6Very low176 Ų176152.2 Ų152.287%0.86779%0.794SS**SBendtrans-136.639.8176.1-72.7-85.9177.900111.5
383V43.7Very low42.3Very low138 Ų138155.2 Ų155.284%0.83680%0.804SS**  trans-150.180.7163.7-168.80000108.9
384E44.6Very low41.7Very low180 Ų180155.3 Ų155.384%0.84181%0.812SS**  trans-172.198.6146.3-108.4175.1-164.600108.2
385D38.3Very low40.9Very low159 Ų159156.3 Ų156.385%0.8582%0.822SS**  trans160103.8135.6-84.2-30000110.7
386D38.6Very low40.3Very low153 Ų153154.8 Ų154.882%0.81883%0.825SS**  trans-164102.5138.4-113.9-29000112.8
387Y39.9Very low39.9Very low216 Ų216149.8 Ų149.885%0.84782%0.821SS**  trans52.7155.4145.1-86.6-99.8000124.5
388P44.2Very low39.7Very low107 Ų107154.5 Ų154.570%0.69585%0.854SS**  trans-96.6146.2-16637.3-27.9000115.1
389S42.9Very low39.7Very low126 Ų126153.9 Ų153.988%0.88186%0.857SS**  trans30.5114148-159.70000120.6
390A35.8Very low39.5Very low102 Ų102150.5 Ų150.584%0.84386%0.858SS**  trans-167.4130132.300000113.2
391G32.5Very low39.5Very low80 Ų80149.4 Ų149.483%0.82586%0.862SS**  trans97.5119.6144.100000118.8
392G36.8Very low39.7Very low77 Ų77145.6 Ų145.679%0.79486%0.863SS**  trans-57.6173.5170.600000114
393V37.1Very low39.8Very low139 Ų139143.8 Ų143.884%0.84286%0.863SS**  -159.814169.4175.50000109.8
394Q46.4Very low39.6Very low188 Ų188144.1 Ų144.188%0.87987%0.865SS**  trans-72.5134.4167-80174.6-37.300111.3
395C37Very low39.2Very low123 Ų123141.6 Ų141.683%0.83187%0.866SS**  trans-137.6115.2152-79.30000109.8
396Q38.5Very low39.3Very low191 Ų191140.2 Ų140.289%0.89387%0.868SS**  trans-71.4142.3156.9-97178.6-19.500109.6
397T40.7Very low39.3Very low133 Ų133139.2 Ų139.282%0.81687%0.872SS**  trans175.4137.6144.242.60000106.4
398S40.1Very low39.3Very low188 Ų188132.2 Ų132.2100%1.31587%0.874SS**  cis-1630-6.3-76.60000106.1

Retrieved 398 of 398 residues in 146.2 ms (Link to these results)

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