A0A087XGE8_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member A1

AlphaFold DB , UniProt , Accession A0A087XGE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M57.2Low81.5Confident244 Ų24468.9 Ų68.9100%1.20237%0.368SS*.  0137.20-73.4-179.1-179.600107.3
2V74.9Confident82Confident41 Ų4168.8 Ų68.825%0.24840%0.395CS..  trans-76.8135.7-178.8176.50000109.1E4 Y8 P15 D65V2-E4 WeakPolarHBondContact CG1-O 3.48Å; V2-Y8 HydrophobicContact CG1-CD2 4.42Å; V2-Y8 HydrophobicContact CG1-CE2 3.91Å; V2-P15 HydrophobicContact CB-CB 4.4Å; V2-P15 HydrophobicContact CG2-CB 3.81Å; V2-D65 HydrophobicContact CG1-CB 4.44Å; V2-D65 HydrophobicContact CG2-CB 4.17Å
3K75.1Confident82.8Confident138 Ų13865.2 Ų65.260%0.638%0.375SS*.SBendtrans-72.6-35.7-176.5-171.1176.7170.9-164.90113.3D65 R66 G67K3-D65 PolarHBondContact N-O 3.29Å; K3-R66 WeakPolarHBondContact CD-O 3.3Å; K3-G67 PolarHBondContact NZ-O 3.43Å; K3-G67 VanDerWaalsContact NZ-O 3.08Å
4E80.7Confident83.3Confident70 Ų7072.7 Ų72.733%0.32740%0.401SS..  trans-140.6137.8177.8-71.2178.9179.900111V2 Y64 G68 E69V2-E4 WeakPolarHBondContact CG1-O 3.48Å; E4-Y64 WeakPolarHBondContact O-CE1 3.41Å; E4-Y64 PolarHBondContact O-OH 2.85Å; E4-G68 WeakPolarHBondContact OE2-CA 3.29Å; E4-E69 PolarHBondContact OE2-N 3.36Å
5T83.5Confident83.5Confident62 Ų6270.7 Ų70.738%0.3839%0.393SS..  trans-99.4-0.3-178.556.30000114.3F7 Y8 D9 P15T5-F7 PolarHBondContact O-N 2.97Å; T5-F7 VanDerWaalsContact O-N 3.16Å; T5-Y8 WeakPolarHBondContact O-CA 3.34Å; T5-Y8 WeakPolarHBondContact O-CB 3.45Å; T5-Y8 PolarHBondContact O-N 3.33Å; T5-D9 VanDerWaalsContact C-OD2 3.32Å; T5-D9 VanDerWaalsContact CB-OD2 3.27Å; T5-D9 WeakPolarHBondContact CB-OD2 3.34Å; T5-D9 VanDerWaalsContact O-CG 3.25Å; T5-D9 PolarHBondContact O-N 3.03Å; T5-D9 VanDerWaalsContact O-OD2 3.14Å; T5-D9 PolarHBondContact OG1-OD2 2.87Å; T5-P15 HydrophobicContact CG2-CG 4.06Å
6G84.8Confident83.5Confident35 Ų3575.8 Ų75.836%0.36142%0.419SS..Hα-helixtrans-52.9-42.6-169.100000115.6D9 T10 Y64G6-D9 PolarHBondContact O-N 3.17Å; G6-T10 WeakPolarHBondContact O-CB 3.09Å; G6-T10 PolarHBondContact O-N 2.99Å; G6-T10 PolarHBondContact O-OG1 3.17Å; G6-Y64 PolarHBondContact N-OH 3.19Å
7F87.6Confident83.8Confident11 Ų1171.7 Ų71.75%0.04840%0.397CS..Hα-helixtrans-72.9-32.3177.1-68.6-27.4000113.2T5 L11 Q50 A51 V54 L55 Y64 E69T5-F7 PolarHBondContact O-N 2.97Å; T5-F7 VanDerWaalsContact O-N 3.16Å; F7-L11 PolarHBondContact O-N 2.97Å; F7-Q50 HydrophobicContact CE1-CG 4.45Å; F7-Q50 HydrophobicContact CZ-CG 4.41Å; F7-A51 HydrophobicContact CB-CB 3.84Å; F7-A51 HydrophobicContact CD1-CB 3.79Å; F7-A51 HydrophobicContact CG-CB 4.02Å; F7-V54 HydrophobicContact CD2-CB 3.99Å; F7-V54 HydrophobicContact CD2-CG1 3.88Å; F7-V54 HydrophobicContact CD2-CG2 4.37Å; F7-V54 HydrophobicContact CE2-CB 3.98Å; F7-V54 HydrophobicContact CE2-CG1 3.9Å; F7-V54 HydrophobicContact CE2-CG2 3.85Å; F7-V54 HydrophobicContact CZ-CG2 4.47Å; F7-L55 HydrophobicContact CB-CD1 3.74Å; F7-L55 HydrophobicContact CB-CD2 4.46Å; F7-L55 HydrophobicContact CB-CG 4.05Å; F7-Y64 HydrophobicContact CB-CE1 3.92Å; F7-Y64 HydrophobicContact CD2-CD1 4.07Å; F7-Y64 AromaticContact CD2-CD2 3.51Å; F7-Y64 HydrophobicContact CD2-CD2 3.51Å; F7-Y64 AromaticContact CD2-CE1 3.77Å; F7-Y64 HydrophobicContact CD2-CE1 3.77Å; F7-Y64 AromaticContact CD2-CE2 3.17Å; F7-Y64 HydrophobicContact CD2-CE2 3.17Å; F7-Y64 AromaticContact CD2-CG 3.94Å; F7-Y64 HydrophobicContact CD2-CG 3.94Å; F7-Y64 AromaticContact CD2-CZ 3.31Å; F7-Y64 AromaticContact CE2-CD2 3.56Å; F7-Y64 HydrophobicContact CE2-CD2 3.56Å; F7-Y64 AromaticContact CE2-CE2 3.36Å; F7-Y64 HydrophobicContact CE2-CE2 3.36Å; F7-Y64 HydrophobicContact CE2-CG 4.33Å; F7-Y64 AromaticContact CE2-CZ 4Å; F7-Y64 HydrophobicContact CG-CE1 4.19Å; F7-Y64 AromaticContact CG-CE2 3.96Å; F7-Y64 HydrophobicContact CG-CE2 3.96Å; F7-Y64 AromaticContact CG-CZ 3.7Å; F7-Y64 HydrophobicContact CZ-CE2 4.28Å; F7-Y64 PolarHBondContact N-OH 2.92Å; F7-E69 HydrophobicContact CZ-CG 4Å
8Y89.8Confident84.1Confident0 Ų071.3 Ų71.30%040%0.397CS..Hα-helixtrans-68.2-42173.8-65.1-78.3000110.6V2 T5 L11 G12 V13 P15 L55 R61 Y64 D65V2-Y8 HydrophobicContact CG1-CD2 4.42Å; V2-Y8 HydrophobicContact CG1-CE2 3.91Å; T5-Y8 WeakPolarHBondContact O-CA 3.34Å; T5-Y8 WeakPolarHBondContact O-CB 3.45Å; T5-Y8 PolarHBondContact O-N 3.33Å; Y8-L11 CarbonylContact O-C 3.59Å; Y8-L11 PolarHBondContact O-N 2.79Å; Y8-G12 PolarHBondContact O-N 3.25Å; Y8-V13 CarbonylContact C-O 3.54Å; Y8-V13 WeakPolarHBondContact CB-O 3.01Å; Y8-V13 HydrophobicContact CD1-CG2 4Å; Y8-V13 PolarHBondContact O-N 3.36Å; Y8-P15 HydrophobicContact CD2-CB 4.47Å; Y8-P15 HydrophobicContact CE2-CB 4.47Å; Y8-L55 HydrophobicContact CD1-CD1 3.7Å; Y8-L55 HydrophobicContact CD1-CD2 4.26Å; Y8-L55 HydrophobicContact CD2-CD1 4.46Å; Y8-L55 HydrophobicContact CD2-CD2 4.33Å; Y8-L55 HydrophobicContact CE1-CD1 3.87Å; Y8-L55 HydrophobicContact CE1-CD2 3.65Å; Y8-L55 HydrophobicContact CE1-CG 4.34Å; Y8-L55 HydrophobicContact CE2-CD2 3.74Å; Y8-L55 HydrophobicContact CG-CD1 4.03Å; Y8-R61 WeakPolarHBondContact OH-CG 3.42Å; Y8-R61 PolarHBondContact OH-NE 3.27Å; Y8-Y64 HydrophobicContact CD2-CE1 4.09Å; Y8-Y64 HydrophobicContact CE2-CD1 4.11Å; Y8-Y64 AromaticContact CE2-CE1 3.89Å; Y8-Y64 HydrophobicContact CE2-CE1 3.89Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.28Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.4Å; Y8-D65 VanDerWaalsContact OH-CG 3.29Å; Y8-D65 PolarHBondContact OH-OD1 2.87Å; Y8-D65 PolarHBondContact OH-OD2 3.04Å
9D88.4Confident84.2Confident102 Ų10272.4 Ų72.455%0.54541%0.408SS..Hα-helixtrans-66.1-39.4177.5-61.1-33.7000111.4T5 G6 L11 G12T5-D9 VanDerWaalsContact C-OD2 3.32Å; T5-D9 VanDerWaalsContact CB-OD2 3.27Å; T5-D9 WeakPolarHBondContact CB-OD2 3.34Å; T5-D9 VanDerWaalsContact O-CG 3.25Å; T5-D9 PolarHBondContact O-N 3.03Å; T5-D9 VanDerWaalsContact O-OD2 3.14Å; T5-D9 PolarHBondContact OG1-OD2 2.87Å; G6-D9 PolarHBondContact O-N 3.17Å; D9-L11 VanDerWaalsContact C-N 3.33Å; D9-L11 PolarHBondContact O-N 2.81Å; D9-G12 PolarHBondContact O-N 2.76Å
10T87.4Confident84.3Confident51 Ų5175 Ų7531%0.31342%0.421SS..Hα-helixtrans-62.9-37.9176.3-57.20000112.3G6 G12 Q47 I48 A51G6-T10 WeakPolarHBondContact O-CB 3.09Å; G6-T10 PolarHBondContact O-N 2.99Å; G6-T10 PolarHBondContact O-OG1 3.17Å; T10-G12 VanDerWaalsContact C-N 3.33Å; T10-Q47 HydrophobicContact CG2-CB 4.22Å; T10-I48 HydrophobicContact CG2-CG1 4.21Å; T10-A51 HydrophobicContact CG2-CB 4.19Å
11L87.5Confident84.4Confident4 Ų476.2 Ų76.22%0.02142%0.423CS..Hα-helixtrans-84.2-8.2174-67.8-179.2000113.2F7 Y8 D9 V13 L22 A25 L29 I48 A51 L55F7-L11 PolarHBondContact O-N 2.97Å; Y8-L11 CarbonylContact O-C 3.59Å; Y8-L11 PolarHBondContact O-N 2.79Å; D9-L11 VanDerWaalsContact C-N 3.33Å; D9-L11 PolarHBondContact O-N 2.81Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 HydrophobicContact CB-CG2 3.98Å; L11-L22 HydrophobicContact CD1-CD2 3.71Å; L11-A25 WeakPolarHBondContact O-CB 2.99Å; L11-L29 HydrophobicContact CD2-CD1 4.32Å; L11-I48 HydrophobicContact CD2-CG2 3.98Å; L11-A51 HydrophobicContact CD1-CB 4.28Å; L11-A51 HydrophobicContact CD2-CB 4.3Å; L11-A51 HydrophobicContact CG-CB 3.9Å; L11-L55 HydrophobicContact CD1-CD1 3.87Å
12G87.7Confident85.9Confident67 Ų6764.7 Ų64.769%0.69137%0.366SS*.THydrogen-bonded Turntrans66.232.6-177.400000113.6Y8 D9 T10Y8-G12 PolarHBondContact O-N 3.25Å; D9-G12 PolarHBondContact O-N 2.76Å; T10-G12 VanDerWaalsContact C-N 3.33Å
13V91.3Very high86.5Confident23 Ų2367.1 Ų67.114%0.13937%0.373CS..  trans-118.6159.9-179.6-63.90000111.5Y8 L11 A17 L22 A25Y8-V13 CarbonylContact C-O 3.54Å; Y8-V13 WeakPolarHBondContact CB-O 3.01Å; Y8-V13 HydrophobicContact CD1-CG2 4Å; Y8-V13 PolarHBondContact O-N 3.36Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 HydrophobicContact CB-CG2 3.98Å; V13-A17 HydrophobicContact CB-CB 3.84Å; V13-A17 HydrophobicContact CG2-CB 4.07Å; V13-L22 HydrophobicContact CG2-CD2 3.63Å; V13-A25 HydrophobicContact CG1-CB 3.55Å
14K89.9Confident87.2Confident170 Ų17068.1 Ų68.174%0.73938%0.378SS*.  trans-78.5155.5175.6-67-175.9179.5-179.80111.2N16 A17K14-N16 PolarHBondContact O-N 2.74Å; K14-A17 WeakPolarHBondContact O-CB 3.11Å; K14-A17 PolarHBondContact O-N 2.87Å
15P86.5Confident87.6Confident42 Ų4265.6 Ų65.627%0.27337%0.369SS..THydrogen-bonded Turntrans-56.3-25177-28.736.5000115.2V2 T5 Y8 A17 R61V2-P15 HydrophobicContact CB-CB 4.4Å; V2-P15 HydrophobicContact CG2-CB 3.81Å; T5-P15 HydrophobicContact CG2-CG 4.06Å; Y8-P15 HydrophobicContact CD2-CB 4.47Å; Y8-P15 HydrophobicContact CE2-CB 4.47Å; P15-A17 VanDerWaalsContact C-N 3.34Å; P15-R61 PolarHBondContact O-NH2 3.3Å
16N84.4Confident87.9Confident153 Ų15365.3 Ų65.382%0.81836%0.361SS*.THydrogen-bonded Turntrans-91.614.3175.9-69.2-7000113.6K14K14-N16 PolarHBondContact O-N 2.74Å
17A87.4Confident88Confident6 Ų670.5 Ų70.55%0.0537%0.37CS..  trans-61.6139.9-176.700000112.2V13 K14 P15 E21 L22 R61V13-A17 HydrophobicContact CB-CB 3.84Å; V13-A17 HydrophobicContact CG2-CB 4.07Å; K14-A17 WeakPolarHBondContact O-CB 3.11Å; K14-A17 PolarHBondContact O-N 2.87Å; P15-A17 VanDerWaalsContact C-N 3.34Å; A17-E21 WeakPolarHBondContact CA-OE2 3.24Å; A17-E21 HydrophobicContact CB-CB 4.33Å; A17-L22 HydrophobicContact CB-CG 4.34Å; A17-R61 VanDerWaalsContact O-CZ 3.31Å; A17-R61 PolarHBondContact O-NH1 2.77Å; A17-R61 PolarHBondContact O-NH2 3.06Å
18T89.9Confident88.1Confident65 Ų6577.8 Ų77.840%0.39940%0.402SS..  trans-72.7158175.359.40000111D20 E21 L22T18-D20 PolarHBondContact O-N 2.91Å; T18-E21 PolarHBondContact N-OE2 3.16Å; T18-E21 PolarHBondContact O-N 3.19Å; T18-E21 VanDerWaalsContact O-N 3.13Å; T18-E21 VanDerWaalsContact OG1-CD 3.24Å; T18-E21 WeakPolarHBondContact OG1-CG 3.3Å; T18-E21 PolarHBondContact OG1-N 3.28Å; T18-E21 PolarHBondContact OG1-OE2 3.37Å; T18-L22 PolarHBondContact O-N 3.16Å
19P85.5Confident88Confident91 Ų9179.4 Ų79.459%0.59141%0.41SS*.Hα-helixtrans-57.7-32.9176.921.9-33.6000113L22 K23P19-L22 PolarHBondContact O-N 2.95Å; P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 3.5Å
20D85.6Confident87.8Confident125 Ų12575.3 Ų75.367%0.66839%0.391SS*.Hα-helixtrans-70.2-37.6177.1-71-36.9000112.6T18 K23 K24T18-D20 PolarHBondContact O-N 2.91Å; D20-K23 PolarHBondContact O-N 2.79Å; D20-K24 VanDerWaalsContact O-CB 3.32Å; D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 PolarHBondContact O-N 3.02Å
21E87.7Confident87.6Confident101 Ų10178.7 Ų78.747%0.47241%0.406SS..Hα-helixtrans-66-41.9173.9-73.9168.2156.700111.6A17 T18 K24 A25A17-E21 WeakPolarHBondContact CA-OE2 3.24Å; A17-E21 HydrophobicContact CB-CB 4.33Å; T18-E21 PolarHBondContact N-OE2 3.16Å; T18-E21 PolarHBondContact O-N 3.19Å; T18-E21 VanDerWaalsContact O-N 3.13Å; T18-E21 VanDerWaalsContact OG1-CD 3.24Å; T18-E21 WeakPolarHBondContact OG1-CG 3.3Å; T18-E21 PolarHBondContact OG1-N 3.28Å; T18-E21 PolarHBondContact OG1-OE2 3.37Å; E21-K24 PolarHBondContact O-N 3.48Å; E21-A25 WeakPolarHBondContact O-CB 3.29Å; E21-A25 PolarHBondContact O-N 2.93Å
22L88.9Confident87.4Confident1 Ų184.4 Ų84.41%0.00543%0.431CS..Hα-helixtrans-59.5-46.7173.8-74.5166.8000111.4L11 V13 A17 T18 P19 K24 A25 Y26 Y52 L55L11-L22 HydrophobicContact CD1-CD2 3.71Å; V13-L22 HydrophobicContact CG2-CD2 3.63Å; A17-L22 HydrophobicContact CB-CG 4.34Å; T18-L22 PolarHBondContact O-N 3.16Å; P19-L22 PolarHBondContact O-N 2.95Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.05Å; L22-A25 PolarHBondContact O-N 3.11Å; L22-Y26 WeakPolarHBondContact O-CB 3.25Å; L22-Y26 PolarHBondContact O-N 3.49Å; L22-Y52 HydrophobicContact CB-CD2 4.47Å; L22-Y52 HydrophobicContact CB-CE2 4.31Å; L22-L55 HydrophobicContact CD1-CB 4.04Å; L22-L55 WeakPolarHBondContact CD1-O 3.42Å; L22-L55 HydrophobicContact CD2-CB 3.91Å; L22-L55 HydrophobicContact CD2-CD1 3.97Å
23K87.3Confident87.1Confident92 Ų9283.4 Ų83.440%0.441%0.406SS..Hα-helixtrans-66.4-33.3179.1-171.4177.1-178.1176.30112.6P19 D20 R27 Y52P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 3.5Å; D20-K23 PolarHBondContact O-N 2.79Å; K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 WeakPolarHBondContact O-CG 3.2Å; K23-R27 PolarHBondContact O-N 3.37Å; K23-R27 PolarHBondContact O-NE 3.16Å; K23-Y52 HydrophobicContact CB-CE2 4.21Å
24K89.3Confident86.5Confident160 Ų16086.1 Ų86.170%0.69642%0.417SS*.Hα-helixtrans-72.8-43176.5-169.8177-177.9179.90111.3D20 E21 L22 K28D20-K24 VanDerWaalsContact O-CB 3.32Å; D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 PolarHBondContact O-N 3.02Å; E21-K24 PolarHBondContact O-N 3.48Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.05Å; K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.14Å
25A90.1Very high85.9Confident17 Ų1781 Ų8114%0.1440%0.401CS..Hα-helixtrans-63.2-47.2176.400000111.7L11 V13 E21 L22 R27 K28 L29L11-A25 WeakPolarHBondContact O-CB 2.99Å; V13-A25 HydrophobicContact CG1-CB 3.55Å; E21-A25 WeakPolarHBondContact O-CB 3.29Å; E21-A25 PolarHBondContact O-N 2.93Å; L22-A25 PolarHBondContact O-N 3.11Å; A25-R27 PolarHBondContact O-N 3.45Å; A25-K28 PolarHBondContact O-N 3.31Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 2.88Å
26Y89.4Confident85.4Confident56 Ų5685.6 Ų85.622%0.2242%0.424CS..Hα-helixtrans-58.4-49.3175.7174.7-108000112.1L22 K28 L29 A30 I48 Y52L22-Y26 WeakPolarHBondContact O-CB 3.25Å; L22-Y26 PolarHBondContact O-N 3.49Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 2.82Å; Y26-L29 PolarHBondContact O-N 2.91Å; Y26-A30 HydrophobicContact CE1-CB 4.4Å; Y26-A30 HydrophobicContact CE2-CB 4.29Å; Y26-A30 WeakPolarHBondContact O-CB 3.48Å; Y26-A30 PolarHBondContact O-N 2.78Å; Y26-I48 HydrophobicContact CD2-CG2 3.72Å; Y26-I48 HydrophobicContact CE2-CG2 4.01Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.44Å; Y26-Y52 AromaticContact CD1-CD1 3.79Å; Y26-Y52 HydrophobicContact CD1-CD1 3.79Å; Y26-Y52 HydrophobicContact CD1-CD2 4.35Å; Y26-Y52 AromaticContact CD1-CE1 3.95Å; Y26-Y52 HydrophobicContact CD1-CE1 3.95Å; Y26-Y52 HydrophobicContact CD1-CE2 4.48Å; Y26-Y52 AromaticContact CD1-CG 4Å; Y26-Y52 HydrophobicContact CD1-CG 4Å; Y26-Y52 VanDerWaalsContact CD2-CB 3.46Å; Y26-Y52 HydrophobicContact CD2-CD1 4.04Å; Y26-Y52 HydrophobicContact CD2-CD2 4.34Å; Y26-Y52 AromaticContact CD2-CG 3.68Å; Y26-Y52 HydrophobicContact CD2-CG 3.68Å; Y26-Y52 HydrophobicContact CE1-CD1 4.05Å; Y26-Y52 HydrophobicContact CE1-CE1 4.28Å; Y26-Y52 HydrophobicContact CE2-CD1 4.3Å; Y26-Y52 HydrophobicContact CE2-CG 4.33Å; Y26-Y52 AromaticContact CG-CD1 3.78Å; Y26-Y52 HydrophobicContact CG-CD1 3.78Å; Y26-Y52 AromaticContact CG-CD2 3.8Å; Y26-Y52 HydrophobicContact CG-CD2 3.8Å; Y26-Y52 HydrophobicContact CG-CE1 4.3Å; Y26-Y52 HydrophobicContact CG-CE2 4.31Å; Y26-Y52 AromaticContact CG-CG 3.5Å; Y26-Y52 HydrophobicContact CG-CG 3.5Å; Y26-Y52 VanDerWaalsContact CG-CG 3.5Å
27R87.2Confident85Confident144 Ų14485.1 Ų85.154%0.54341%0.414SS..Hα-helixtrans-58.8-40.1178.7-82.6-172.6-89-175.9-3.8112.8K23 A25 L31K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 WeakPolarHBondContact O-CG 3.2Å; K23-R27 PolarHBondContact O-N 3.37Å; K23-R27 PolarHBondContact O-NE 3.16Å; A25-R27 PolarHBondContact O-N 3.45Å; R27-L31 WeakPolarHBondContact O-CB 3.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.24Å; R27-L31 WeakPolarHBondContact O-CG 3.3Å; R27-L31 PolarHBondContact O-N 2.74Å
28K89.2Confident84.2Confident163 Ų16388 Ų8871%0.70943%0.429SS*.Hα-helixtrans-64.7-43177.7-173.3-179.4179.1-1760111.8K24 A25 Y26 K32K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 3.31Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 2.82Å; K28-K32 PolarHBondContact O-N 3.46Å
29L87.1Confident83.2Confident35 Ų3590 Ų9018%0.18344%0.443CS..Hα-helixtrans-75.7-39.1-179.5-69.2171.9000112.3L11 A25 Y26 L31 K32 Y33 I48L11-L29 HydrophobicContact CD2-CD1 4.32Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 2.88Å; Y26-L29 PolarHBondContact O-N 2.91Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 2.91Å; L29-K32 PolarHBondContact O-N 3.03Å; L29-K32 VanDerWaalsContact O-N 3.11Å; L29-Y33 HydrophobicContact CD2-CD2 4.41Å; L29-Y33 HydrophobicContact CD2-CE2 4.04Å; L29-Y33 WeakPolarHBondContact O-CD2 3.46Å; L29-Y33 PolarHBondContact O-N 3.18Å; L29-I48 HydrophobicContact CB-CD1 3.88Å; L29-I48 HydrophobicContact CB-CG1 4.36Å; L29-I48 HydrophobicContact CB-CG2 3.88Å; L29-I48 HydrophobicContact CD1-CD1 4.49Å; L29-I48 HydrophobicContact CD1-CG1 4.34Å; L29-I48 HydrophobicContact CD1-CG2 4.41Å
30A83.6Confident82.6Confident16 Ų1691.8 Ų91.813%0.13245%0.453CS..Hα-helixtrans-63.2-37177.200000112.4Y26 H34 F45Y26-A30 HydrophobicContact CE1-CB 4.4Å; Y26-A30 HydrophobicContact CE2-CB 4.29Å; Y26-A30 WeakPolarHBondContact O-CB 3.48Å; Y26-A30 PolarHBondContact O-N 2.78Å; A30-H34 WeakPolarHBondContact O-CA 3.44Å; A30-H34 WeakPolarHBondContact O-CB 3.4Å; A30-H34 PolarHBondContact O-N 3.4Å; A30-H34 VanDerWaalsContact O-N 3.1Å; A30-F45 HydrophobicContact CB-CE2 3.95Å
31L83.6Confident81.8Confident121 Ų12189 Ų8963%0.63444%0.436SS*.Hα-helixtrans-68.7-33.6173.2-80.7163.5000112.8R27 L29R27-L31 WeakPolarHBondContact O-CB 3.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.24Å; R27-L31 WeakPolarHBondContact O-CG 3.3Å; R27-L31 PolarHBondContact O-N 2.74Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 2.91Å
32K82.8Confident81Confident124 Ų12485.3 Ų85.354%0.53942%0.424SS..Hα-helixtrans-77.7-38.6-178.3-172.1-179.5178.7-166.60112.2K28 L29 N38K28-K32 PolarHBondContact O-N 3.46Å; L29-K32 PolarHBondContact O-N 3.03Å; L29-K32 VanDerWaalsContact O-N 3.11Å; K32-N38 PolarHBondContact O-ND2 3.14Å
33Y81.8Confident80.3Confident46 Ų4692.2 Ų92.218%0.1846%0.457CS..SBendtrans-106.920.1-176.5-64-75.2000112.8L29 E41 K44 F45 I48L29-Y33 HydrophobicContact CD2-CD2 4.41Å; L29-Y33 HydrophobicContact CD2-CE2 4.04Å; L29-Y33 WeakPolarHBondContact O-CD2 3.46Å; L29-Y33 PolarHBondContact O-N 3.18Å; Y33-E41 HydrophobicContact CD1-CB 4.08Å; Y33-K44 HydrophobicContact CD1-CB 4.26Å; Y33-K44 HydrophobicContact CD1-CD 4.44Å; Y33-K44 HydrophobicContact CE1-CD 4Å; Y33-F45 WeakPolarHBondContact O-CB 3.32Å; Y33-F45 WeakPolarHBondContact O-CD2 3.28Å; Y33-I48 HydrophobicContact CD2-CD1 3.56Å; Y33-I48 HydrophobicContact CE2-CD1 4.2Å; Y33-I48 HydrophobicContact CG-CD1 4.15Å
34H80.2Confident79.9Confident80 Ų8091.9 Ų91.937%0.3746%0.455SS..  trans-59.4131.2178.9-164.6-90.1000110.3A30 D36 K37 N38A30-H34 WeakPolarHBondContact O-CA 3.44Å; A30-H34 WeakPolarHBondContact O-CB 3.4Å; A30-H34 PolarHBondContact O-N 3.4Å; A30-H34 VanDerWaalsContact O-N 3.1Å; H34-D36 WeakPolarHBondContact ND1-CB 3.49Å; H34-D36 PolarHBondContact ND1-N 2.82Å; H34-D36 PolarHBondContact O-N 2.89Å; H34-D36 VanDerWaalsContact O-N 3.11Å; H34-K37 PolarHBondContact O-N 3.11Å; H34-N38 PolarHBondContact O-N 2.93Å
35P76.2Confident79.5Confident62 Ų6286.5 Ų86.540%0.40343%0.432SS..THydrogen-bonded Turntrans-60.4-27.8-173.921.3-33000113.5K37 P39P35-K37 VanDerWaalsContact C-N 3.34Å; P35-P39 WeakPolarHBondContact O-CA 3.34Å
36D77Confident79.1Confident140 Ų14092.1 Ų92.175%0.74945%0.453SS*.THydrogen-bonded Turntrans-69.6-28.8175.6-161.338.2000113.3H34H34-D36 WeakPolarHBondContact ND1-CB 3.49Å; H34-D36 PolarHBondContact ND1-N 2.82Å; H34-D36 PolarHBondContact O-N 2.89Å; H34-D36 VanDerWaalsContact O-N 3.11Å
37K75.4Confident78.8Confident142 Ų14294.4 Ų94.462%0.61747%0.466SS*.THydrogen-bonded Turntrans-99.4-28-178.7-65.8-174.4178.9-1760112.9H34 P35H34-K37 PolarHBondContact O-N 3.11Å; P35-K37 VanDerWaalsContact C-N 3.34Å
38N70.3Confident78.7Confident66 Ų6687.9 Ų87.935%0.35344%0.442SS..  trans-139.676.4-178.8-78.2-44.2000110.6K32 H34 T40 E41K32-N38 PolarHBondContact O-ND2 3.14Å; H34-N38 PolarHBondContact O-N 2.93Å; N38-T40 PolarHBondContact O-N 3.3Å; N38-E41 HydrophobicContact CB-CB 4.49Å; N38-E41 PolarHBondContact O-N 3.17Å
39P70Confident78.6Confident107 Ų10781.3 Ų81.370%0.69542%0.416SS*.G310 helixtrans-66.9-18.3-175.122.3-31.2000114.5P35P35-P39 WeakPolarHBondContact O-CA 3.34Å
40T71.5Confident78.4Confident130 Ų13084 Ų8480%0.79843%0.427SS*.G310 helixtrans-82.7-14.4178.346.50000114.2N38N38-T40 PolarHBondContact O-N 3.3Å
41E70Confident78.6Confident67 Ų6783.2 Ų83.231%0.31342%0.421SS..G310 helixtrans-114.826-173.5-70.1-79.4-158.500112.2Y33 N38 E43 K44 F45Y33-E41 HydrophobicContact CD1-CB 4.08Å; N38-E41 HydrophobicContact CB-CB 4.49Å; N38-E41 PolarHBondContact O-N 3.17Å; E41-E43 PolarHBondContact O-N 3.03Å; E41-K44 PolarHBondContact O-N 2.78Å; E41-K44 IonicContact OE1-NZ 2.84Å; E41-K44 PolarHBondContact OE1-NZ 2.94Å; E41-K44 WeakPolarHBondContact OE2-CD 3.43Å; E41-K44 WeakPolarHBondContact OE2-CE 3.47Å; E41-K44 IonicContact OE2-NZ 3.43Å; E41-K44 PolarHBondContact OE2-NZ 3.01Å; E41-F45 PolarHBondContact O-N 3.13Å
42G70.3Confident78.8Confident22 Ų2279.8 Ų79.823%0.22740%0.4CS..Hα-helixtrans-61.4-25.9-178.600000113.9F45 K46G42-F45 PolarHBondContact O-N 2.88Å; G42-K46 WeakPolarHBondContact O-CG 3.17Å; G42-K46 PolarHBondContact O-N 3.1Å; G42-K46 VanDerWaalsContact O-N 3.16Å
43E74.4Confident78.9Confident147 Ų14777.4 Ų77.469%0.68739%0.391SS*.Hα-helixtrans-67.8-37.8176.2-65.5-167.7156.800112.6E41 F45 K46 Q47E41-E43 PolarHBondContact O-N 3.03Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 3.28Å; E43-K46 WeakPolarHBondContact O-CB 3.47Å; E43-K46 PolarHBondContact O-N 3.13Å; E43-Q47 WeakPolarHBondContact O-CG 3.5Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 VanDerWaalsContact O-N 3.09Å
44K78.6Confident79.2Confident84 Ų8475.6 Ų75.637%0.36539%0.385SS..Hα-helixtrans-66.2-38.7175.6-68.4-176-175.9140.70111.2Y33 E41 K46 Q47 I48Y33-K44 HydrophobicContact CD1-CB 4.26Å; Y33-K44 HydrophobicContact CD1-CD 4.44Å; Y33-K44 HydrophobicContact CE1-CD 4Å; E41-K44 PolarHBondContact O-N 2.78Å; E41-K44 IonicContact OE1-NZ 2.84Å; E41-K44 PolarHBondContact OE1-NZ 2.94Å; E41-K44 WeakPolarHBondContact OE2-CD 3.43Å; E41-K44 WeakPolarHBondContact OE2-CE 3.47Å; E41-K44 IonicContact OE2-NZ 3.43Å; E41-K44 PolarHBondContact OE2-NZ 3.01Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.18Å; K44-Q47 PolarHBondContact O-N 2.91Å; K44-I48 WeakPolarHBondContact O-CB 3.03Å; K44-I48 VanDerWaalsContact O-CD1 3.3Å; K44-I48 WeakPolarHBondContact O-CD1 3.47Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.3Å; K44-I48 PolarHBondContact O-N 2.81Å
45F81Confident79.5Confident47 Ų4771.9 Ų71.921%0.20637%0.368CS..Hα-helixtrans-61.5-39.3175-174.4-98000112.3A30 Y33 E41 G42 E43 I48 S49A30-F45 HydrophobicContact CB-CE2 3.95Å; Y33-F45 WeakPolarHBondContact O-CB 3.32Å; Y33-F45 WeakPolarHBondContact O-CD2 3.28Å; E41-F45 PolarHBondContact O-N 3.13Å; G42-F45 PolarHBondContact O-N 2.88Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 3.28Å; F45-I48 PolarHBondContact O-N 2.91Å; F45-S49 WeakPolarHBondContact O-CB 3.41Å; F45-S49 PolarHBondContact O-N 2.84Å; F45-S49 PolarHBondContact O-OG 2.94Å
46K81.1Confident79.9Confident135 Ų13571.5 Ų71.559%0.58737%0.367SS*.Hα-helixtrans-62-47.3175-69172-175.1177.60111.5G42 E43 K44 S49 Q50G42-K46 WeakPolarHBondContact O-CG 3.17Å; G42-K46 PolarHBondContact O-N 3.1Å; G42-K46 VanDerWaalsContact O-N 3.16Å; E43-K46 WeakPolarHBondContact O-CB 3.47Å; E43-K46 PolarHBondContact O-N 3.13Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.18Å; K46-S49 PolarHBondContact O-N 2.99Å; K46-Q50 WeakPolarHBondContact O-CB 3.37Å; K46-Q50 PolarHBondContact O-N 3.34Å
47Q83.6Confident80.3Confident104 Ų10468.2 Ų68.249%0.48635%0.349SS..Hα-helixtrans-63.2-42178-68.7174.3-3.200112.4T10 E43 K44 S49 Q50 A51T10-Q47 HydrophobicContact CG2-CB 4.22Å; E43-Q47 WeakPolarHBondContact O-CG 3.5Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 VanDerWaalsContact O-N 3.09Å; K44-Q47 PolarHBondContact O-N 2.91Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-S49 PolarHBondContact O-N 2.84Å; Q47-Q50 PolarHBondContact O-N 2.96Å; Q47-A51 WeakPolarHBondContact O-CB 3.39Å; Q47-A51 PolarHBondContact O-N 2.72Å
48I86.2Confident80.7Confident8 Ų865.2 Ų65.24%0.04135%0.351CS..Hα-helixtrans-62.3-41.6176.5-71.2158.4000111.2T10 L11 Y26 L29 Y33 K44 F45 Y52T10-I48 HydrophobicContact CG2-CG1 4.21Å; L11-I48 HydrophobicContact CD2-CG2 3.98Å; Y26-I48 HydrophobicContact CD2-CG2 3.72Å; Y26-I48 HydrophobicContact CE2-CG2 4.01Å; L29-I48 HydrophobicContact CB-CD1 3.88Å; L29-I48 HydrophobicContact CB-CG1 4.36Å; L29-I48 HydrophobicContact CB-CG2 3.88Å; L29-I48 HydrophobicContact CD1-CD1 4.49Å; L29-I48 HydrophobicContact CD1-CG1 4.34Å; L29-I48 HydrophobicContact CD1-CG2 4.41Å; Y33-I48 HydrophobicContact CD2-CD1 3.56Å; Y33-I48 HydrophobicContact CE2-CD1 4.2Å; Y33-I48 HydrophobicContact CG-CD1 4.15Å; K44-I48 WeakPolarHBondContact O-CB 3.03Å; K44-I48 VanDerWaalsContact O-CD1 3.3Å; K44-I48 WeakPolarHBondContact O-CD1 3.47Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.3Å; K44-I48 PolarHBondContact O-N 2.81Å; F45-I48 PolarHBondContact O-N 2.91Å; I48-Y52 PolarHBondContact O-N 3.15Å
49S85.3Confident81.1Confident25 Ų2569.8 Ų69.818%0.17537%0.368CS..Hα-helixtrans-67.4-44.1179.2-570000111.6F45 K46 Q47 Y52 E53F45-S49 WeakPolarHBondContact O-CB 3.41Å; F45-S49 PolarHBondContact O-N 2.84Å; F45-S49 PolarHBondContact O-OG 2.94Å; K46-S49 PolarHBondContact O-N 2.99Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-S49 PolarHBondContact O-N 2.84Å; S49-Y52 PolarHBondContact O-N 2.92Å; S49-E53 PolarHBondContact O-N 2.98Å
50Q84.6Confident81.6Confident90 Ų9068.1 Ų68.142%0.42135%0.349SS..Hα-helixtrans-61.2-46.1175.8-174.4-177.63.300111.8F7 K46 Q47 Y52 E53 V54F7-Q50 HydrophobicContact CE1-CG 4.45Å; F7-Q50 HydrophobicContact CZ-CG 4.41Å; K46-Q50 WeakPolarHBondContact O-CB 3.37Å; K46-Q50 PolarHBondContact O-N 3.34Å; Q47-Q50 PolarHBondContact O-N 2.96Å; Q50-Y52 VanDerWaalsContact C-N 3.35Å; Q50-Y52 PolarHBondContact O-N 2.82Å; Q50-E53 PolarHBondContact O-N 3.43Å; Q50-V54 WeakPolarHBondContact O-CG2 3.2Å; Q50-V54 PolarHBondContact O-N 3.5Å
51A87.8Confident82.3Confident0 Ų063.9 Ų63.90%032%0.319CS..Hα-helixtrans-61.2-42.417800000111.9F7 T10 L11 Q47 L55F7-A51 HydrophobicContact CB-CB 3.84Å; F7-A51 HydrophobicContact CD1-CB 3.79Å; F7-A51 HydrophobicContact CG-CB 4.02Å; T10-A51 HydrophobicContact CG2-CB 4.19Å; L11-A51 HydrophobicContact CD1-CB 4.28Å; L11-A51 HydrophobicContact CD2-CB 4.3Å; L11-A51 HydrophobicContact CG-CB 3.9Å; Q47-A51 WeakPolarHBondContact O-CB 3.39Å; Q47-A51 PolarHBondContact O-N 2.72Å; A51-L55 WeakPolarHBondContact O-CB 3.19Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 2.86Å; A51-L55 PolarHBondContact O-N 2.73Å
52Y87.4Confident82.8Confident50 Ų5065.7 Ų65.720%0.19633%0.327CS..Hα-helixtrans-68.3-39.1177.7-179.9-106000112.6L22 K23 Y26 I48 S49 Q50 V54 L55 S56L22-Y52 HydrophobicContact CB-CD2 4.47Å; L22-Y52 HydrophobicContact CB-CE2 4.31Å; K23-Y52 HydrophobicContact CB-CE2 4.21Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.44Å; Y26-Y52 AromaticContact CD1-CD1 3.79Å; Y26-Y52 HydrophobicContact CD1-CD1 3.79Å; Y26-Y52 HydrophobicContact CD1-CD2 4.35Å; Y26-Y52 AromaticContact CD1-CE1 3.95Å; Y26-Y52 HydrophobicContact CD1-CE1 3.95Å; Y26-Y52 HydrophobicContact CD1-CE2 4.48Å; Y26-Y52 AromaticContact CD1-CG 4Å; Y26-Y52 HydrophobicContact CD1-CG 4Å; Y26-Y52 VanDerWaalsContact CD2-CB 3.46Å; Y26-Y52 HydrophobicContact CD2-CD1 4.04Å; Y26-Y52 HydrophobicContact CD2-CD2 4.34Å; Y26-Y52 AromaticContact CD2-CG 3.68Å; Y26-Y52 HydrophobicContact CD2-CG 3.68Å; Y26-Y52 HydrophobicContact CE1-CD1 4.05Å; Y26-Y52 HydrophobicContact CE1-CE1 4.28Å; Y26-Y52 HydrophobicContact CE2-CD1 4.3Å; Y26-Y52 HydrophobicContact CE2-CG 4.33Å; Y26-Y52 AromaticContact CG-CD1 3.78Å; Y26-Y52 HydrophobicContact CG-CD1 3.78Å; Y26-Y52 AromaticContact CG-CD2 3.8Å; Y26-Y52 HydrophobicContact CG-CD2 3.8Å; Y26-Y52 HydrophobicContact CG-CE1 4.3Å; Y26-Y52 HydrophobicContact CG-CE2 4.31Å; Y26-Y52 AromaticContact CG-CG 3.5Å; Y26-Y52 HydrophobicContact CG-CG 3.5Å; Y26-Y52 VanDerWaalsContact CG-CG 3.5Å; I48-Y52 PolarHBondContact O-N 3.15Å; S49-Y52 PolarHBondContact O-N 2.92Å; Q50-Y52 VanDerWaalsContact C-N 3.35Å; Q50-Y52 PolarHBondContact O-N 2.82Å; Y52-V54 VanDerWaalsContact C-N 3.35Å; Y52-V54 PolarHBondContact O-N 3.25Å; Y52-L55 PolarHBondContact O-N 3.2Å; Y52-S56 WeakPolarHBondContact O-CB 3.48Å; Y52-S56 PolarHBondContact O-N 2.86Å; Y52-S56 PolarHBondContact O-OG 3.32Å
53E85.4Confident83.3Confident73 Ų7368 Ų6834%0.34134%0.337SS..Hα-helixtrans-62-43178.7-163.1-161.2142.600112.1S49 Q50 S56 K60S49-E53 PolarHBondContact O-N 2.98Å; Q50-E53 PolarHBondContact O-N 3.43Å; E53-S56 PolarHBondContact O-OG 2.81Å; E53-K60 IonicContact OE1-NZ 3.96Å; E53-K60 PolarHBondContact OE1-NZ 3.43Å
54V86.1Confident83.7Confident9 Ų961 Ų616%0.05530%0.304CS..Hα-helixtrans-69.8-42.1178.5176.60000111.4F7 Q50 Y52 K60 R61 Y64 I72F7-V54 HydrophobicContact CD2-CB 3.99Å; F7-V54 HydrophobicContact CD2-CG1 3.88Å; F7-V54 HydrophobicContact CD2-CG2 4.37Å; F7-V54 HydrophobicContact CE2-CB 3.98Å; F7-V54 HydrophobicContact CE2-CG1 3.9Å; F7-V54 HydrophobicContact CE2-CG2 3.85Å; F7-V54 HydrophobicContact CZ-CG2 4.47Å; Q50-V54 WeakPolarHBondContact O-CG2 3.2Å; Q50-V54 PolarHBondContact O-N 3.5Å; Y52-V54 VanDerWaalsContact C-N 3.35Å; Y52-V54 PolarHBondContact O-N 3.25Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 WeakPolarHBondContact O-CB 2.83Å; V54-R61 PolarHBondContact O-N 2.86Å; V54-R61 VanDerWaalsContact O-N 3.11Å; V54-Y64 HydrophobicContact CG1-CD2 4.33Å; V54-Y64 HydrophobicContact CG1-CG 4Å; V54-I72 HydrophobicContact CG1-CD1 4.26Å; V54-I72 HydrophobicContact CG1-CG1 4.3Å; V54-I72 HydrophobicContact CG2-CG2 4.46Å
55L86.9Confident84.1Confident2 Ų258.9 Ų58.91%0.0130%0.297CS..Hα-helixtrans-82.9-19.6-175.5-65179.6000114.2F7 Y8 L11 L22 A51 Y52 R61 Y64F7-L55 HydrophobicContact CB-CD1 3.74Å; F7-L55 HydrophobicContact CB-CD2 4.46Å; F7-L55 HydrophobicContact CB-CG 4.05Å; Y8-L55 HydrophobicContact CD1-CD1 3.7Å; Y8-L55 HydrophobicContact CD1-CD2 4.26Å; Y8-L55 HydrophobicContact CD2-CD1 4.46Å; Y8-L55 HydrophobicContact CD2-CD2 4.33Å; Y8-L55 HydrophobicContact CE1-CD1 3.87Å; Y8-L55 HydrophobicContact CE1-CD2 3.65Å; Y8-L55 HydrophobicContact CE1-CG 4.34Å; Y8-L55 HydrophobicContact CE2-CD2 3.74Å; Y8-L55 HydrophobicContact CG-CD1 4.03Å; L11-L55 HydrophobicContact CD1-CD1 3.87Å; L22-L55 HydrophobicContact CD1-CB 4.04Å; L22-L55 WeakPolarHBondContact CD1-O 3.42Å; L22-L55 HydrophobicContact CD2-CB 3.91Å; L22-L55 HydrophobicContact CD2-CD1 3.97Å; A51-L55 WeakPolarHBondContact O-CB 3.19Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 2.86Å; A51-L55 PolarHBondContact O-N 2.73Å; Y52-L55 PolarHBondContact O-N 3.2Å; L55-R61 HydrophobicContact CD2-CG 4.06Å; L55-Y64 HydrophobicContact CD2-CD1 3.97Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å
56S85.6Confident84.1Confident54 Ų5465.2 Ų65.238%0.37832%0.319SS..Hα-helixtrans-79-28.1-179.4610000113.8Y52 E53Y52-S56 WeakPolarHBondContact O-CB 3.48Å; Y52-S56 PolarHBondContact O-N 2.86Å; Y52-S56 PolarHBondContact O-OG 3.32Å; E53-S56 PolarHBondContact O-OG 2.81Å
57D84.9Confident83.8Confident70 Ų7059.5 Ų59.537%0.37430%0.298SS..SBendtrans-90.4123.5173.8-174.1-39000110.2K59 K60 R61D57-K59 PolarHBondContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.02Å; D57-K59 PolarHBondContact OD1-N 3.04Å; D57-K60 HydrophobicContact CB-CB 4.05Å; D57-K60 HydrophobicContact CB-CD 4.05Å; D57-K60 HydrophobicContact CB-CG 3.98Å; D57-K60 PolarHBondContact O-N 2.81Å; D57-R61 VanDerWaalsContact O-CB 3.27Å; D57-R61 WeakPolarHBondContact O-CB 3.46Å; D57-R61 PolarHBondContact O-N 2.93Å
58A83.5Confident83.6Confident80 Ų8054.5 Ų54.566%0.66128%0.275SS*.Hα-helixtrans-56.6-35.8-178.400000113.4E62A58-E62 PolarHBondContact O-N 2.88Å; A58-E62 VanDerWaalsContact O-N 3.14Å
59K79.6Confident83Confident162 Ų16258.3 Ų58.370%0.70429%0.292SS*.Hα-helixtrans-75.1-43.6179.5-66.1-179.5179.7178.10111.5D57 R61 E62 V63D57-K59 PolarHBondContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.02Å; D57-K59 PolarHBondContact OD1-N 3.04Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-E62 PolarHBondContact O-N 2.92Å; K59-V63 WeakPolarHBondContact O-CG2 3.43Å; K59-V63 PolarHBondContact O-N 3.33Å; K59-V63 VanDerWaalsContact O-N 3.13Å
60K80.8Confident82.3Confident71 Ų7164 Ų6431%0.30931%0.314SS..Hα-helixtrans-66.1-39.4177.8-65.2-176179178.20111E53 V54 D57 V63 Y64E53-K60 IonicContact OE1-NZ 3.96Å; E53-K60 PolarHBondContact OE1-NZ 3.43Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 WeakPolarHBondContact O-CB 2.83Å; D57-K60 HydrophobicContact CB-CB 4.05Å; D57-K60 HydrophobicContact CB-CD 4.05Å; D57-K60 HydrophobicContact CB-CG 3.98Å; D57-K60 PolarHBondContact O-N 2.81Å; K60-V63 PolarHBondContact O-N 3.19Å; K60-Y64 WeakPolarHBondContact O-CB 3.25Å; K60-Y64 PolarHBondContact O-N 3.47Å
61R85.1Confident81.4Confident41 Ų4161.1 Ų61.116%0.15531%0.306CS..Hα-helixtrans-60.5-44.8174.4-176.6175.1179.4174.5-0.2111.7Y8 P15 A17 V54 L55 D57 K59 V63 Y64 D65Y8-R61 WeakPolarHBondContact OH-CG 3.42Å; Y8-R61 PolarHBondContact OH-NE 3.27Å; P15-R61 PolarHBondContact O-NH2 3.3Å; A17-R61 VanDerWaalsContact O-CZ 3.31Å; A17-R61 PolarHBondContact O-NH1 2.77Å; A17-R61 PolarHBondContact O-NH2 3.06Å; V54-R61 PolarHBondContact O-N 2.86Å; V54-R61 VanDerWaalsContact O-N 3.11Å; L55-R61 HydrophobicContact CD2-CG 4.06Å; D57-R61 VanDerWaalsContact O-CB 3.27Å; D57-R61 WeakPolarHBondContact O-CB 3.46Å; D57-R61 PolarHBondContact O-N 2.93Å; K59-R61 VanDerWaalsContact C-N 3.34Å; R61-V63 PolarHBondContact O-N 3.22Å; R61-Y64 PolarHBondContact O-N 3.18Å; R61-D65 IonicContact NE-OD2 2.69Å; R61-D65 VanDerWaalsContact O-CB 3.29Å; R61-D65 WeakPolarHBondContact O-CB 3.4Å; R61-D65 PolarHBondContact O-N 3.23Å
62E80.9Confident80.4Confident105 Ų10562.7 Ų62.749%0.49131%0.314SS..Hα-helixtrans-62.8-41.5177.4-170.8-175.5175.800112.4A58 K59 D65 R66A58-E62 PolarHBondContact O-N 2.88Å; A58-E62 VanDerWaalsContact O-N 3.14Å; K59-E62 PolarHBondContact O-N 2.92Å; E62-D65 PolarHBondContact O-N 2.92Å; E62-R66 VanDerWaalsContact O-CB 3.32Å; E62-R66 WeakPolarHBondContact O-CB 3.12Å; E62-R66 PolarHBondContact O-N 2.91Å; E62-R66 IonicContact OE1-CZ 2.64Å; E62-R66 IonicContact OE1-NH2 2.91Å; E62-R66 PolarHBondContact OE1-NH2 3.27Å
63V81.7Confident79.3Confident71 Ų7168 Ų6843%0.4334%0.338SS..Hα-helixtrans-64.4-43176.61740000110.9K59 K60 R61 R66 G67 A71 I72K59-V63 WeakPolarHBondContact O-CG2 3.43Å; K59-V63 PolarHBondContact O-N 3.33Å; K59-V63 VanDerWaalsContact O-N 3.13Å; K60-V63 PolarHBondContact O-N 3.19Å; R61-V63 PolarHBondContact O-N 3.22Å; V63-R66 PolarHBondContact O-N 3.48Å; V63-G67 WeakPolarHBondContact O-CA 3.13Å; V63-G67 PolarHBondContact O-N 2.77Å; V63-A71 HydrophobicContact CG1-CB 4.32Å; V63-I72 HydrophobicContact CB-CD1 4.12Å; V63-I72 HydrophobicContact CG1-CD1 3.79Å
64Y82.7Confident77.8Confident1 Ų171 Ų710%0.00435%0.352CS..Hα-helixtrans-64.2-45.1175179.6-105.4000111.8E4 G6 F7 Y8 V54 L55 K60 R61 R66 G67 G68 E69 I72E4-Y64 WeakPolarHBondContact O-CE1 3.41Å; E4-Y64 PolarHBondContact O-OH 2.85Å; G6-Y64 PolarHBondContact N-OH 3.19Å; F7-Y64 HydrophobicContact CB-CE1 3.92Å; F7-Y64 HydrophobicContact CD2-CD1 4.07Å; F7-Y64 AromaticContact CD2-CD2 3.51Å; F7-Y64 HydrophobicContact CD2-CD2 3.51Å; F7-Y64 AromaticContact CD2-CE1 3.77Å; F7-Y64 HydrophobicContact CD2-CE1 3.77Å; F7-Y64 AromaticContact CD2-CE2 3.17Å; F7-Y64 HydrophobicContact CD2-CE2 3.17Å; F7-Y64 AromaticContact CD2-CG 3.94Å; F7-Y64 HydrophobicContact CD2-CG 3.94Å; F7-Y64 AromaticContact CD2-CZ 3.31Å; F7-Y64 AromaticContact CE2-CD2 3.56Å; F7-Y64 HydrophobicContact CE2-CD2 3.56Å; F7-Y64 AromaticContact CE2-CE2 3.36Å; F7-Y64 HydrophobicContact CE2-CE2 3.36Å; F7-Y64 HydrophobicContact CE2-CG 4.33Å; F7-Y64 AromaticContact CE2-CZ 4Å; F7-Y64 HydrophobicContact CG-CE1 4.19Å; F7-Y64 AromaticContact CG-CE2 3.96Å; F7-Y64 HydrophobicContact CG-CE2 3.96Å; F7-Y64 AromaticContact CG-CZ 3.7Å; F7-Y64 HydrophobicContact CZ-CE2 4.28Å; F7-Y64 PolarHBondContact N-OH 2.92Å; Y8-Y64 HydrophobicContact CD2-CE1 4.09Å; Y8-Y64 HydrophobicContact CE2-CD1 4.11Å; Y8-Y64 AromaticContact CE2-CE1 3.89Å; Y8-Y64 HydrophobicContact CE2-CE1 3.89Å; V54-Y64 HydrophobicContact CG1-CD2 4.33Å; V54-Y64 HydrophobicContact CG1-CG 4Å; L55-Y64 HydrophobicContact CD2-CD1 3.97Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å; K60-Y64 WeakPolarHBondContact O-CB 3.25Å; K60-Y64 PolarHBondContact O-N 3.47Å; R61-Y64 PolarHBondContact O-N 3.18Å; Y64-R66 PolarHBondContact O-N 3.27Å; Y64-G67 PolarHBondContact O-N 3.42Å; Y64-G68 WeakPolarHBondContact O-CA 3.12Å; Y64-G68 PolarHBondContact O-N 3.11Å; Y64-E69 HydrophobicContact CE2-CB 4.24Å; Y64-I72 HydrophobicContact CD2-CG1 4.35Å
65D85.7Confident75.9Confident38 Ų3873.3 Ų73.320%0.20338%0.378CS..Hα-helixtrans-62.9-34.1-178.6-71.9-17000112.1V2 K3 Y8 R61 E62V2-D65 HydrophobicContact CG1-CB 4.44Å; V2-D65 HydrophobicContact CG2-CB 4.17Å; K3-D65 PolarHBondContact N-O 3.29Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.28Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.4Å; Y8-D65 VanDerWaalsContact OH-CG 3.29Å; Y8-D65 PolarHBondContact OH-OD1 2.87Å; Y8-D65 PolarHBondContact OH-OD2 3.04Å; R61-D65 IonicContact NE-OD2 2.69Å; R61-D65 VanDerWaalsContact O-CB 3.29Å; R61-D65 WeakPolarHBondContact O-CB 3.4Å; R61-D65 PolarHBondContact O-N 3.23Å; E62-D65 PolarHBondContact O-N 2.92Å
66R81.1Confident73.9Confident181 Ų18173.8 Ų73.868%0.68338%0.383SS*.Hα-helixtrans-84.8-35.6178.2-165.4-176.7-61.2-172.91.1113.1K3 E62 V63 Y64K3-R66 WeakPolarHBondContact CD-O 3.3Å; E62-R66 VanDerWaalsContact O-CB 3.32Å; E62-R66 WeakPolarHBondContact O-CB 3.12Å; E62-R66 PolarHBondContact O-N 2.91Å; E62-R66 IonicContact OE1-CZ 2.64Å; E62-R66 IonicContact OE1-NH2 2.91Å; E62-R66 PolarHBondContact OE1-NH2 3.27Å; V63-R66 PolarHBondContact O-N 3.48Å; Y64-R66 PolarHBondContact O-N 3.27Å
67G75.3Confident71.7Confident14 Ų1476 Ų7614%0.14440%0.395CS..Hα-helixtrans-114.5-19.5-162.800000116.1K3 V63 Y64 A71K3-G67 PolarHBondContact NZ-O 3.43Å; K3-G67 VanDerWaalsContact NZ-O 3.08Å; V63-G67 WeakPolarHBondContact O-CA 3.13Å; V63-G67 PolarHBondContact O-N 2.77Å; Y64-G67 PolarHBondContact O-N 3.42Å; G67-A71 VanDerWaalsContact CA-CB 3.44Å
68G78.6Confident69.3Low0 Ų076.5 Ų76.50%042%0.416CS..  trans74.8-176.8-17100000112.7E4 Y64 K70 A71E4-G68 WeakPolarHBondContact OE2-CA 3.29Å; Y64-G68 WeakPolarHBondContact O-CA 3.12Å; Y64-G68 PolarHBondContact O-N 3.11Å; G68-K70 PolarHBondContact O-N 2.92Å; G68-A71 PolarHBondContact O-N 3.1Å; G68-A71 VanDerWaalsContact O-N 3.12Å
69E73.4Confident66.9Low87 Ų8775.8 Ų75.841%0.40742%0.416SS..Hα-helixtrans-59.1-33.5-179.4-169.6179.3164.600111.9E4 F7 Y64 A71 I72 K73E4-E69 PolarHBondContact OE2-N 3.36Å; F7-E69 HydrophobicContact CZ-CG 4Å; Y64-E69 HydrophobicContact CE2-CB 4.24Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.41Å; E69-I72 PolarHBondContact O-N 3.04Å; E69-K73 PolarHBondContact O-N 3.48Å; E69-K73 VanDerWaalsContact O-N 3.16Å
70K70.6Confident64.7Low144 Ų14471.8 Ų71.863%0.62642%0.421SS*.Hα-helixtrans-62-36.2176.8-67.5-173.7-179.2-178.30113.3G68 I72 K73 E74G68-K70 PolarHBondContact O-N 2.92Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 2.88Å; K70-K73 PolarHBondContact O-N 3.29Å; K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.94Å
71A65.8Low62.5Low30 Ų3074.7 Ų74.725%0.24845%0.45CS..Hα-helixtrans-71-30.4-179.800000113V63 G67 G68 E69 K73 G75V63-A71 HydrophobicContact CG1-CB 4.32Å; G67-A71 VanDerWaalsContact CA-CB 3.44Å; G68-A71 PolarHBondContact O-N 3.1Å; G68-A71 VanDerWaalsContact O-N 3.12Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.41Å; A71-K73 VanDerWaalsContact C-N 3.35Å; A71-G75 PolarHBondContact O-N 3.13Å
72I68.3Low60Low34 Ų3475.9 Ų75.917%0.17448%0.475CS..Hα-helixtrans-70.5-35.9171.6-63.6-65.8000110.5V54 V63 Y64 E69 K70V54-I72 HydrophobicContact CG1-CD1 4.26Å; V54-I72 HydrophobicContact CG1-CG1 4.3Å; V54-I72 HydrophobicContact CG2-CG2 4.46Å; V63-I72 HydrophobicContact CB-CD1 4.12Å; V63-I72 HydrophobicContact CG1-CD1 3.79Å; Y64-I72 HydrophobicContact CD2-CG1 4.35Å; E69-I72 PolarHBondContact O-N 3.04Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 2.88Å
73K64.5Low58Low161 Ų16175.3 Ų75.370%0.750%0.498SS*.Hα-helixtrans-78.2-37.7-178.4-158.5171.8-175.5173.90113.6E69 K70 A71E69-K73 PolarHBondContact O-N 3.48Å; E69-K73 VanDerWaalsContact O-N 3.16Å; K70-K73 PolarHBondContact O-N 3.29Å; A71-K73 VanDerWaalsContact C-N 3.35Å
74E52.2Low55.5Low136 Ų13674.3 Ų74.364%0.63650%0.502SS*.Hα-helixtrans-84-21.3-179.5-71.5172.6-18000113K70 G76 T77K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.94Å; E74-G76 PolarHBondContact O-N 3.24Å; E74-G76 VanDerWaalsContact O-N 3.1Å; E74-T77 PolarHBondContact O-N 3.43Å; E74-T77 PolarHBondContact O-OG1 3.42Å
75G46.3Very low53.4Low58 Ų5878.4 Ų78.460%0.59854%0.544SS*.THydrogen-bonded Turntrans-66.6-5.2173.800000115.1A71 F97A71-G75 PolarHBondContact O-N 3.13Å; G75-F97 VanDerWaalsContact O-CE1 3.28Å; G75-F97 WeakPolarHBondContact O-CE1 3.22Å
76G45.7Very low51Low11 Ų1181.7 Ų81.711%0.11356%0.557CS.*THydrogen-bonded Turntrans-110.6-15.6179.400000115.5E74 G78 F96E74-G76 PolarHBondContact O-N 3.24Å; E74-G76 VanDerWaalsContact O-N 3.1Å; G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.38Å; G76-F96 VanDerWaalsContact O-CD1 3.31Å; G76-F96 WeakPolarHBondContact O-CD1 3.33Å; G76-F96 WeakPolarHBondContact O-CE1 3.44Å
77T38.9Very low49Very low102 Ų10280.2 Ų80.263%0.62657%0.568SS**  trans-8766.2-170.3430000113E74 F96E74-T77 PolarHBondContact O-N 3.43Å; E74-T77 PolarHBondContact O-OG1 3.42Å; T77-F96 HydrophobicContact CG2-CE1 4.21Å; T77-F96 HydrophobicContact CG2-CZ 4.33Å
78G35.1Very low47.4Very low80 Ų8081.8 Ų81.883%0.82558%0.576SS**  trans-12958.4175.600000113G76G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.38Å
79G33.4Very low45.8Very low65 Ų6586.3 Ų86.367%0.6761%0.606SS**SBendtrans139.1122.5161.200000116.5
80G32.6Very low44.5Very low77 Ų7788 Ų8879%0.79462%0.615SS**  trans101.493.3149.100000117.5
81S34.7Very low43.4Very low132 Ų13285.5 Ų85.592%0.92361%0.609SS**  trans-64.5136.8163.61260000111.5
82G31.7Very low42.6Very low67 Ų6788 Ų8869%0.69162%0.617SS**  trans172.7103.7163.800000113.2
83G39.1Very low41.4Very low93 Ų9391.1 Ų91.196%0.95963%0.63SS**  trans-66.1134.917800000113.4
84G31Very low40.9Very low50 Ų5089.6 Ų89.652%0.51563%0.629SS.*  trans-172.9132.5171.100000108.4F86G84-F86 WeakPolarHBondContact O-CD2 3.3Å; G84-F86 VanDerWaalsContact O-CE2 3.27Å; G84-F86 WeakPolarHBondContact O-CE2 3.38Å; G84-F86 PolarHBondContact O-N 3.39Å
85G37.6Very low40.7Very low86 Ų8689.2 Ų89.289%0.88763%0.631SS**  trans-61.8126.4-172.100000113.3
86F34.5Very low40.5Very low108 Ų10891.1 Ų91.147%0.47462%0.623SS.*  trans-116.3123.6173.3-70.7-83.4000109G84 S88 I92 L95G84-F86 WeakPolarHBondContact O-CD2 3.3Å; G84-F86 VanDerWaalsContact O-CE2 3.27Å; G84-F86 WeakPolarHBondContact O-CE2 3.38Å; G84-F86 PolarHBondContact O-N 3.39Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.17Å; F86-I92 HydrophobicContact CB-CD1 3.81Å; F86-I92 HydrophobicContact CB-CG1 3.62Å; F86-I92 HydrophobicContact CD2-CG1 4.24Å; F86-I92 HydrophobicContact CG-CD1 4.46Å; F86-I92 HydrophobicContact CG-CG1 3.91Å; F86-L95 HydrophobicContact CE1-CD2 4.09Å; F86-L95 HydrophobicContact CZ-CD2 3.73Å
87T39.3Very low40.6Very low150 Ų15094.9 Ų94.992%0.9264%0.636SS**SBendtrans-85.75-174.734.50000114.3
88S41.9Very low41.3Very low46 Ų4694 Ų9432%0.32265%0.647SS.*  trans-151.1129.7174-163.30000112.4F86 M90 D91F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.17Å; S88-M90 PolarHBondContact O-N 3.29Å; S88-M90 VanDerWaalsContact O-N 3.15Å; S88-D91 PolarHBondContact O-N 3Å; S88-D91 VanDerWaalsContact O-N 3.1Å
89P44.5Very low41.6Very low96 Ų9693.3 Ų93.362%0.62364%0.64SS**Hα-helixtrans-60.6-17.5174.5-25.234.9000115
90M46.4Very low42.1Very low121 Ų12193.7 Ų93.760%0.59665%0.645SS**Hα-helixtrans-70.2-39.9172.5-77.9-71.4-170.400112S88 I92 F93 D94S88-M90 PolarHBondContact O-N 3.29Å; S88-M90 VanDerWaalsContact O-N 3.15Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.39Å; M90-F93 PolarHBondContact O-N 3.18Å; M90-D94 PolarHBondContact O-N 3Å
91D47.9Very low42.5Very low92 Ų9295.6 Ų95.649%0.49265%0.646SS.*Hα-helixtrans-70.2-26.7179.7-79.3-33000112.5S88 L95S88-D91 PolarHBondContact O-N 3Å; S88-D91 VanDerWaalsContact O-N 3.1Å; D91-L95 PolarHBondContact O-N 3.07Å
92I49.3Very low43Very low82 Ų82100.4 Ų100.442%0.42164%0.644SS.*Hα-helixtrans-73-33.8178.5-63.5173.7000110.8F86 M90 F96F86-I92 HydrophobicContact CB-CD1 3.81Å; F86-I92 HydrophobicContact CB-CG1 3.62Å; F86-I92 HydrophobicContact CD2-CG1 4.24Å; F86-I92 HydrophobicContact CG-CD1 4.46Å; F86-I92 HydrophobicContact CG-CG1 3.91Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.39Å; I92-F96 WeakPolarHBondContact O-CB 3.39Å; I92-F96 PolarHBondContact O-N 2.94Å
93F42.8Very low43.6Very low100 Ų100104 Ų10444%0.43964%0.644SS.*Hα-helixtrans-78.6-35.5-179.2-132.8-96.2000112.2M90 L95 F96 F97M90-F93 PolarHBondContact O-N 3.18Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 3.12Å; F93-F96 PolarHBondContact O-N 2.85Å; F93-F97 HydrophobicContact CD1-CD2 4.04Å; F93-F97 HydrophobicContact CD1-CE2 4.43Å; F93-F97 AromaticContact CE1-CD2 3.7Å; F93-F97 HydrophobicContact CE1-CD2 3.7Å; F93-F97 AromaticContact CE1-CE2 3.7Å; F93-F97 HydrophobicContact CE1-CE2 3.7Å; F93-F97 HydrophobicContact CE2-CE2 4.47Å; F93-F97 HydrophobicContact CZ-CD2 4.16Å; F93-F97 AromaticContact CZ-CE2 3.72Å; F93-F97 HydrophobicContact CZ-CE2 3.72Å; F93-F97 PolarHBondContact O-N 3.18Å
94D53.9Low43.9Very low129 Ų129107.3 Ų107.369%0.6963%0.634SS**Hα-helixtrans-66.5-27.9174.9-81.7-23.9000113.1M90M90-D94 PolarHBondContact O-N 3Å
95L47.7Very low44.9Very low129 Ų129114.2 Ų114.268%0.67565%0.645SS**Hα-helixtrans-81.3-24177.3-157.673.3000112.9F86 D91 F93F86-L95 HydrophobicContact CE1-CD2 4.09Å; F86-L95 HydrophobicContact CZ-CD2 3.73Å; D91-L95 PolarHBondContact O-N 3.07Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 3.12Å
96F42.1Very low45.8Very low98 Ų98116.5 Ų116.543%0.4363%0.633SS.*Hα-helixtrans-96.5-29.1-167.9-147.7-114.4000114G76 T77 I92 F93G76-F96 VanDerWaalsContact O-CD1 3.31Å; G76-F96 WeakPolarHBondContact O-CD1 3.33Å; G76-F96 WeakPolarHBondContact O-CE1 3.44Å; T77-F96 HydrophobicContact CG2-CE1 4.21Å; T77-F96 HydrophobicContact CG2-CZ 4.33Å; I92-F96 WeakPolarHBondContact O-CB 3.39Å; I92-F96 PolarHBondContact O-N 2.94Å; F93-F96 PolarHBondContact O-N 2.85Å
97F48Very low47.5Very low89 Ų89120 Ų12039%0.3964%0.643SS.*SBendtrans-107.760.5-178.6-83.4-87.8000112.6G75 F93 G99G75-F97 VanDerWaalsContact O-CE1 3.28Å; G75-F97 WeakPolarHBondContact O-CE1 3.22Å; F93-F97 HydrophobicContact CD1-CD2 4.04Å; F93-F97 HydrophobicContact CD1-CE2 4.43Å; F93-F97 AromaticContact CE1-CD2 3.7Å; F93-F97 HydrophobicContact CE1-CD2 3.7Å; F93-F97 AromaticContact CE1-CE2 3.7Å; F93-F97 HydrophobicContact CE1-CE2 3.7Å; F93-F97 HydrophobicContact CE2-CE2 4.47Å; F93-F97 HydrophobicContact CZ-CD2 4.16Å; F93-F97 AromaticContact CZ-CE2 3.72Å; F93-F97 HydrophobicContact CZ-CE2 3.72Å; F93-F97 PolarHBondContact O-N 3.18Å; F97-G99 VanDerWaalsContact O-CA 3.31Å; F97-G99 WeakPolarHBondContact O-CA 3.34Å; F97-G99 PolarHBondContact O-N 3.47Å
98G54.1Low49.4Very low83 Ų83116.7 Ų116.786%0.85662%0.615SS**  trans-28.394.7176.300000114.1
99G40.9Very low51.3Low66 Ų66115 Ų11568%0.6861%0.606SS**  trans-164.544.9-160.800000112.3F97 S101F97-G99 VanDerWaalsContact O-CA 3.31Å; F97-G99 WeakPolarHBondContact O-CA 3.34Å; F97-G99 PolarHBondContact O-N 3.47Å; G99-S101 VanDerWaalsContact C-N 3.29Å; G99-S101 PolarHBondContact O-N 3.25Å
100G45Very low53.4Low74 Ų74119.4 Ų119.476%0.76362%0.615SS**  trans52.637.414100000117.5R102G100-R102 PolarHBondContact O-N 2.78Å
101S40.3Very low55.5Low117 Ų117117.4 Ų117.482%0.81861%0.607SS**  trans-61.684.8142.3-97.10000105.3G99 M103G99-S101 VanDerWaalsContact C-N 3.29Å; G99-S101 PolarHBondContact O-N 3.25Å; S101-M103 PolarHBondContact O-N 2.9Å
102R45.7Very low57.5Low232 Ų232114.9 Ų114.988%0.87559%0.593SS**  trans-50.792.1142.3-70.6179.1-176.9161.32.9102.2G100 H104G100-R102 PolarHBondContact O-N 2.78Å; R102-H104 PolarHBondContact O-N 2.8Å
103M44.3Very low59.6Low142 Ų142115.2 Ų115.270%0.760%0.599SS**  trans-41.7107.3148.7-146.8175.396.800101S101 R105S101-M103 PolarHBondContact O-N 2.9Å; M103-R105 HydrophobicContact CE-CB 4.19Å; M103-R105 HydrophobicContact CE-CG 3.8Å; M103-R105 PolarHBondContact O-N 2.93Å
104H45.2Very low61.9Low163 Ų163113.1 Ų113.176%0.75559%0.59SS**  trans-66.972.6166.8-164.8-73.3000101.8R102 E106R102-H104 PolarHBondContact O-N 2.8Å; H104-E106 PolarHBondContact O-N 2.89Å
105R51.3Low63.8Low196 Ų196114 Ų11474%0.7459%0.59SS**  trans-63.495.3168.8-156.1176.2-161.5-175.76.598.3M103 R107M103-R105 HydrophobicContact CE-CB 4.19Å; M103-R105 HydrophobicContact CE-CG 3.8Å; M103-R105 PolarHBondContact O-N 2.93Å; R105-R107 PolarHBondContact O-N 3.33Å
106E56.8Low66Low134 Ų134108.6 Ų108.663%0.62656%0.561SS**  trans-38.9116.1174-70.7174.7161.700103.4H104 K108H104-E106 PolarHBondContact O-N 2.89Å; E106-K108 HydrophobicContact CB-CB 4.47Å; E106-K108 PolarHBondContact O-N 2.88Å
107R70.3Confident68.5Low182 Ų182106.9 Ų106.969%0.68756%0.559SS**  trans-73.758.1-175.2-74.4-173.2178.4-174.30.1106.3R105 L239 E240R105-R107 PolarHBondContact O-N 3.33Å; R107-L239 HydrophobicContact CB-CG 4.17Å; R107-L239 CarbonylContact O-C 3.48Å; R107-L239 WeakPolarHBondContact O-CA 3.32Å; R107-L239 WeakPolarHBondContact O-CB 3.44Å; R107-L239 WeakPolarHBondContact O-CG 3.37Å; R107-E240 PolarHBondContact O-N 2.81Å
108K79.7Confident70.7Confident79 Ų79102.7 Ų102.734%0.34354%0.541SS..BIsolated β-bridgetrans-89.8133.8-175-166172.6-179.81740107.6E106 E240 P241 D243E106-K108 HydrophobicContact CB-CB 4.47Å; E106-K108 PolarHBondContact O-N 2.88Å; K108-E240 CarbonylContact C-O 3.58Å; K108-E240 WeakPolarHBondContact CA-O 3.44Å; K108-P241 VanDerWaalsContact CE-O 3.26Å; K108-P241 WeakPolarHBondContact CE-O 3.3Å; K108-P241 WeakPolarHBondContact CG-O 3.43Å; K108-D243 WeakPolarHBondContact CE-OD1 3.47Å; K108-D243 IonicContact NZ-OD1 3.39Å; K108-D243 PolarHBondContact NZ-OD1 2.7Å; K108-D243 IonicContact NZ-OD2 3.17Å; K108-D243 PolarHBondContact NZ-OD2 3.46Å
109G81.7Confident72.7Confident12 Ų12100.2 Ų100.212%0.12451%0.509CS..PPolyproline II helixtrans-60160.417300000110.6E240 G242G109-E240 PolarHBondContact N-O 2.91Å; G109-G242 WeakPolarHBondContact O-CA 3.27Å
110K87.4Confident75.2Confident188 Ų18897.1 Ų97.182%0.81748%0.477SS*.PPolyproline II helixtrans-65.7138.2177.8-64.2177.5-178.3177.20109.8
111N90.6Very high77.5Confident78 Ų7897.9 Ų97.942%0.41746%0.461SS..PPolyproline II helixtrans-70145172.9-63.1-18.3000110.1D243 I245N111-D243 CarbonylContact C-O 3.54Å; N111-D243 WeakPolarHBondContact CA-O 3.39Å; N111-D243 WeakPolarHBondContact CB-O 3.36Å; N111-D243 PolarHBondContact OD1-N 3.17Å; N111-I245 HydrophobicContact CB-CD1 4.07Å
112I90.1Very high80Confident40 Ų4093.9 Ų93.921%0.20543%0.43CS..EExtended strand (participates in β ladder)trans-107.9129.9177.6-59173.1000107.9D234 D243 I244 I245I112-D234 HydrophobicContact CD1-CB 4.28Å; I112-D243 PolarHBondContact N-O 2.83Å; I112-I244 HydrophobicContact CB-CG1 4.43Å; I112-I244 CarbonylContact O-C 3.36Å; I112-I244 WeakPolarHBondContact O-CA 3.34Å; I112-I245 PolarHBondContact O-N 3.48Å
113V92.8Very high82.3Confident89 Ų8982.9 Ų82.954%0.53939%0.389SS..EExtended strand (participates in β ladder)trans-103.9125.1178-174.40000109.3I245 V247V113-I245 CarbonylContact C-O 3.56Å; V113-I245 VanDerWaalsContact CA-O 3.28Å; V113-I245 WeakPolarHBondContact CA-O 3.33Å; V113-I245 HydrophobicContact CG2-CB 4.39Å; V113-V247 HydrophobicContact CG1-CG2 3.66Å
114H92.4Very high84.6Confident56 Ų5676.5 Ų76.526%0.25936%0.357SS..EExtended strand (participates in β ladder)trans-116.6138.7172-75.9-65.3000109.9L131 V133 I245 I246 V247H114-L131 HydrophobicContact CB-CD2 3.98Å; H114-V133 WeakPolarHBondContact NE2-CG1 3.36Å; H114-I245 PolarHBondContact N-O 2.69Å; H114-I246 CarbonylContact O-C 3.52Å; H114-I246 VanDerWaalsContact O-CA 3.27Å; H114-I246 WeakPolarHBondContact O-CA 3.26Å; H114-V247 PolarHBondContact O-N 3.38Å
115Q93.8Very high86.8Confident147 Ų14771.9 Ų71.969%0.68734%0.338SS*.EExtended strand (participates in β ladder)trans-100.4131.5172.3-73.1170.2-28.100108.9V247Q115-V247 WeakPolarHBondContact CA-O 3.47Å; Q115-V247 HydrophobicContact CG-CB 4.25Å
116I93.9Very high88.8Confident15 Ų1563.9 Ų63.98%0.07732%0.316CS..EExtended strand (participates in β ladder)trans-115.7121.4171.7-65.7-178.3000107.8V118 L131 V215 I246 V247 D249I116-V118 HydrophobicContact CG2-CG1 4.14Å; I116-L131 HydrophobicContact CD1-CB 4.02Å; I116-L131 HydrophobicContact CD1-CD1 4.37Å; I116-L131 HydrophobicContact CD1-CD2 3.99Å; I116-L131 HydrophobicContact CD1-CG 4.34Å; I116-L131 HydrophobicContact CG1-CD1 4.32Å; I116-L131 HydrophobicContact CG1-CD2 4.26Å; I116-V215 HydrophobicContact CD1-CB 4.22Å; I116-V215 HydrophobicContact CD1-CG1 4.31Å; I116-V215 HydrophobicContact CD1-CG2 3.78Å; I116-I246 HydrophobicContact CB-CG2 4.2Å; I116-I246 HydrophobicContact CD1-CD1 4.17Å; I116-I246 HydrophobicContact CD1-CG2 3.51Å; I116-I246 HydrophobicContact CG1-CG2 3.68Å; I116-V247 PolarHBondContact N-O 3.29Å; I116-D249 PolarHBondContact O-N 3.46Å
117T94.4Very high90.5Very high63 Ų6358.6 Ų58.639%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-69.4131.9170.750.70000109.7R129 D249T117-R129 VanDerWaalsContact O-CZ 3.22Å; T117-R129 PolarHBondContact O-NH1 3.16Å; T117-D249 CarbonylContact C-O 3.53Å; T117-D249 VanDerWaalsContact CA-O 3.3Å; T117-D249 WeakPolarHBondContact CA-O 3.33Å
118V94.5Very high91.6Very high0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-131.4141.8179.2-69.30000110I116 L123 V217 L248 D249 Q251I116-V118 HydrophobicContact CG2-CG1 4.14Å; V118-L123 HydrophobicContact CG2-CD1 4.05Å; V118-L123 HydrophobicContact CG2-CD2 4.01Å; V118-L123 HydrophobicContact CG2-CG 4.04Å; V118-V217 HydrophobicContact CG1-CG2 4.24Å; V118-L248 HydrophobicContact CG1-CD2 4.05Å; V118-L248 HydrophobicContact CG2-CB 4.26Å; V118-D249 WeakPolarHBondContact CG2-O 3.2Å; V118-D249 PolarHBondContact N-O 3.03Å; V118-Q251 PolarHBondContact O-N 3.39Å
119T94.8Very high92.2Very high31 Ų3154.3 Ų54.319%0.1929%0.288CS..  trans-81.6161.2175.5600000110.4E121 D122 L123T119-E121 PolarHBondContact O-N 2.85Å; T119-D122 PolarHBondContact O-N 3.22Å; T119-D122 PolarHBondContact OG1-N 3.33Å; T119-D122 PolarHBondContact OG1-OD1 3.47Å; T119-L123 PolarHBondContact O-N 2.87Å
120L93.8Very high92.7Very high1 Ų160.8 Ų60.81%0.00531%0.313CS..Hα-helixtrans-62.9-32.4174.6-16865.1000111.9L123 Y124 H253 F256 R258 L263 L285 M313L120-L123 PolarHBondContact O-N 2.86Å; L120-Y124 WeakPolarHBondContact O-CB 3.42Å; L120-Y124 PolarHBondContact O-N 2.91Å; L120-H253 HydrophobicContact CB-CB 4.35Å; L120-H253 HydrophobicContact CD2-CB 4.24Å; L120-F256 HydrophobicContact CD2-CB 3.62Å; L120-R258 HydrophobicContact CD1-CB 3.89Å; L120-R258 HydrophobicContact CD1-CG 4.45Å; L120-L263 HydrophobicContact CD1-CD2 4.49Å; L120-L263 HydrophobicContact CD2-CD2 3.91Å; L120-L285 HydrophobicContact CB-CD2 4.31Å; L120-L285 HydrophobicContact CD2-CD1 3.81Å; L120-L285 HydrophobicContact CD2-CD2 4.05Å; L120-L285 HydrophobicContact CG-CD1 3.75Å; L120-L285 HydrophobicContact CG-CD2 4.17Å; L120-M313 HydrophobicContact CD1-CE 3.91Å; L120-M313 HydrophobicContact CD1-SD 3.82Å; L120-M313 HydrophobicContact CG-SD 4.25Å
121E93.3Very high92.9Very high90 Ų9053.7 Ų53.742%0.42128%0.283SS..Hα-helixtrans-65.3-42.2175.7-60.9160.4169.200111.9T119 L123 Y124 N125 L285T119-E121 PolarHBondContact O-N 2.85Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.17Å; E121-Y124 PolarHBondContact O-N 3.18Å; E121-Y124 VanDerWaalsContact O-N 3.17Å; E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 2.98Å; E121-N125 PolarHBondContact O-ND2 2.69Å; E121-L285 HydrophobicContact CG-CD2 3.82Å
122D93.6Very high93Very high34 Ų3454.2 Ų54.218%0.18229%0.293CS..Hα-helixtrans-62.8-40175.4-76.2-9000111.2T119 Y124 G126 A127 R129T119-D122 PolarHBondContact O-N 3.22Å; T119-D122 PolarHBondContact OG1-N 3.33Å; T119-D122 PolarHBondContact OG1-OD1 3.47Å; D122-Y124 VanDerWaalsContact C-N 3.27Å; D122-Y124 PolarHBondContact O-N 3.11Å; D122-G126 CarbonylContact O-C 3.43Å; D122-G126 WeakPolarHBondContact O-CA 3.4Å; D122-G126 PolarHBondContact O-N 2.92Å; D122-A127 HydrophobicContact CB-CB 3.82Å; D122-R129 IonicContact OD2-CZ 3.84Å; D122-R129 IonicContact OD2-NE 2.77Å; D122-R129 PolarHBondContact OD2-NE 2.86Å; D122-R129 IonicContact OD2-NH2 3.63Å; D122-R129 PolarHBondContact OD2-NH2 3.47Å
123L92.8Very high93Very high0 Ų052.4 Ų52.40%028%0.284CS..Hα-helixtrans-69.8-26.2176.7-67.2172.3000112.4V118 T119 L120 E121 V217 G220 M221 L248 Q250 M313V118-L123 HydrophobicContact CG2-CD1 4.05Å; V118-L123 HydrophobicContact CG2-CD2 4.01Å; V118-L123 HydrophobicContact CG2-CG 4.04Å; T119-L123 PolarHBondContact O-N 2.87Å; L120-L123 PolarHBondContact O-N 2.86Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.17Å; L123-V217 HydrophobicContact CD2-CG1 3.74Å; L123-G220 PolarHBondContact O-N 3.15Å; L123-M221 HydrophobicContact CD2-CB 4.07Å; L123-L248 HydrophobicContact CD2-CD1 4.36Å; L123-Q250 HydrophobicContact CD1-CB 4.15Å; L123-Q250 HydrophobicContact CD1-CG 3.74Å; L123-M313 HydrophobicContact CB-CE 3.82Å
124Y93.1Very high92.9Very high8 Ų853.9 Ų53.93%0.03129%0.285CS..Hα-helixtrans-81.2-51.9178.2-164.9-73.5000111.8L120 E121 D122 K219 L285 D286 G312 M313 K322L120-Y124 WeakPolarHBondContact O-CB 3.42Å; L120-Y124 PolarHBondContact O-N 2.91Å; E121-Y124 PolarHBondContact O-N 3.18Å; E121-Y124 VanDerWaalsContact O-N 3.17Å; D122-Y124 VanDerWaalsContact C-N 3.27Å; D122-Y124 PolarHBondContact O-N 3.11Å; Y124-K219 WeakPolarHBondContact O-CG 3.27Å; Y124-L285 HydrophobicContact CD1-CB 4.34Å; Y124-L285 HydrophobicContact CD2-CB 3.85Å; Y124-L285 HydrophobicContact CD2-CD1 3.51Å; Y124-L285 HydrophobicContact CD2-CG 4.3Å; Y124-L285 HydrophobicContact CE2-CB 4.38Å; Y124-L285 HydrophobicContact CE2-CD1 4.2Å; Y124-L285 HydrophobicContact CG-CB 3.78Å; Y124-L285 HydrophobicContact CG-CD1 4.11Å; Y124-D286 WeakPolarHBondContact CD1-OD1 3.43Å; Y124-D286 WeakPolarHBondContact CE1-OD1 3.16Å; Y124-D286 WeakPolarHBondContact CE1-OD2 3.09Å; Y124-D286 PolarHBondContact OH-OD2 2.82Å; Y124-G312 WeakPolarHBondContact CE2-O 3.22Å; Y124-M313 HydrophobicContact CD2-SD 3.81Å; Y124-K322 WeakPolarHBondContact OH-CD 3.28Å; Y124-K322 WeakPolarHBondContact OH-CE 3.36Å; Y124-K322 PolarHBondContact OH-NZ 3.17Å
125N91.8Very high92.8Very high67 Ų6752 Ų5236%0.35828%0.276SS..Hα-helixtrans-84.5-19.2-175.1-69.8-60.3000113.4E121 K219 L285 D286E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 2.98Å; E121-N125 PolarHBondContact O-ND2 2.69Å; N125-K219 WeakPolarHBondContact O-CE 3.33Å; N125-L285 PolarHBondContact ND2-O 2.77Å; N125-D286 PolarHBondContact OD1-OD1 2.85Å
126G92.3Very high92.7Very high28 Ų2846.6 Ų46.629%0.28925%0.252SS..  trans75.9139-165.900000110.6D122 V217D122-G126 CarbonylContact O-C 3.43Å; D122-G126 WeakPolarHBondContact O-CA 3.4Å; D122-G126 PolarHBondContact O-N 2.92Å; G126-V217 CarbonylContact C-O 3.53Å; G126-V217 WeakPolarHBondContact CA-O 3.37Å
127A93.1Very high92.6Very high22 Ų2246.5 Ų46.518%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-145153.7-177.100000111D122 V217D122-A127 HydrophobicContact CB-CB 3.82Å; A127-V217 PolarHBondContact N-O 3.14Å; A127-V217 WeakPolarHBondContact O-CA 3.05Å; A127-V217 WeakPolarHBondContact O-CB 3.47Å; A127-V217 PolarHBondContact O-N 2.91Å
128T94Very high92.4Very high96 Ų9646.2 Ų46.259%0.58925%0.248SC*.EExtended strand (participates in β ladder)trans-112.4113172.154.90000109.4V215 H216T128-V215 WeakPolarHBondContact CA-O 3.34Å; T128-H216 WeakPolarHBondContact CG2-ND1 3.34Å
129R91.4Very high92.2Very high75 Ų7546.3 Ų46.328%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-106.7134.8179.8-71.1-171.9171.2-128.9-6.2110.3T117 D122 V215T117-R129 VanDerWaalsContact O-CZ 3.22Å; T117-R129 PolarHBondContact O-NH1 3.16Å; D122-R129 IonicContact OD2-CZ 3.84Å; D122-R129 IonicContact OD2-NE 2.77Å; D122-R129 PolarHBondContact OD2-NE 2.86Å; D122-R129 IonicContact OD2-NH2 3.63Å; D122-R129 PolarHBondContact OD2-NH2 3.47Å; R129-V215 PolarHBondContact N-O 3.3Å; R129-V215 WeakPolarHBondContact O-CB 3.27Å; R129-V215 PolarHBondContact O-N 2.78Å
130K93.3Very high91.8Very high149 Ų14952.5 Ų52.565%0.64828%0.275SS*.EExtended strand (participates in β ladder)trans-95.5118.1177.4-59.5-166.4-175.2-147.60109.5I212 L213 E214K130-I212 HydrophobicContact CB-CG2 3.86Å; K130-I212 HydrophobicContact CD-CG2 4.38Å; K130-I212 HydrophobicContact CG-CG2 4.48Å; K130-L213 WeakPolarHBondContact CA-O 3.47Å; K130-E214 VanDerWaalsContact CE-OE1 3.23Å; K130-E214 WeakPolarHBondContact CE-OE1 3.27Å; K130-E214 HydrophobicContact CG-CG 4.31Å; K130-E214 IonicContact NZ-OE1 2.68Å; K130-E214 PolarHBondContact NZ-OE1 3.4Å
131L91.3Very high91.5Very high38 Ų3861.7 Ų61.720%0.19931%0.31CS..EExtended strand (participates in β ladder)trans-107121.2177.8-178.469.2000109.8H114 I116 V133 I212 L213 V215 I246H114-L131 HydrophobicContact CB-CD2 3.98Å; I116-L131 HydrophobicContact CD1-CB 4.02Å; I116-L131 HydrophobicContact CD1-CD1 4.37Å; I116-L131 HydrophobicContact CD1-CD2 3.99Å; I116-L131 HydrophobicContact CD1-CG 4.34Å; I116-L131 HydrophobicContact CG1-CD1 4.32Å; I116-L131 HydrophobicContact CG1-CD2 4.26Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 HydrophobicContact CG-CG2 3.84Å; L131-V133 PolarHBondContact O-N 2.98Å; L131-I212 WeakPolarHBondContact O-CA 3.2Å; L131-L213 PolarHBondContact N-O 3.45Å; L131-L213 PolarHBondContact O-N 3.13Å; L131-V215 HydrophobicContact CB-CG2 4.31Å; L131-I246 HydrophobicContact CD2-CD1 3.83Å; L131-I246 HydrophobicContact CD2-CG1 4.48Å
132S91.7Very high91.1Very high89 Ų8957.5 Ų57.562%0.62229%0.291SS*.EExtended strand (participates in β ladder)trans-85109.8171.667.10000110.2
133V91.7Very high90.7Very high3 Ų361.7 Ų61.72%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-102.8137.7175.9-176.70000109.8H114 L131 K211 L213 I244H114-V133 WeakPolarHBondContact NE2-CG1 3.36Å; L131-V133 HydrophobicContact CD2-CG2 3.63Å; L131-V133 HydrophobicContact CG-CG2 3.84Å; L131-V133 PolarHBondContact O-N 2.98Å; V133-K211 PolarHBondContact N-O 3.32Å; V133-K211 PolarHBondContact O-N 3.5Å; V133-L213 HydrophobicContact CB-CD1 4.47Å; V133-L213 HydrophobicContact CG2-CD1 3.89Å; V133-L213 HydrophobicContact CG2-CG 4.44Å; V133-I244 HydrophobicContact CB-CD1 4.39Å; V133-I244 HydrophobicContact CG1-CD1 3.84Å; V133-I244 HydrophobicContact CG2-CD1 4.46Å
134Q90.5Very high90.3Very high120 Ų12062.1 Ų62.156%0.56131%0.313SS*.EExtended strand (participates in β ladder)trans-94.4120.5168.9-57.1-1674.100108.2K210Q134-K210 HydrophobicContact CG-CG 4.16Å
135K89.9Confident89.8Confident15 Ų1565.6 Ų65.67%0.06533%0.326CS..EExtended strand (participates in β ladder)trans-126.9153.317770.5177-170.9172.50112C137 R208 Q209 E232 D234K135-C137 VanDerWaalsContact CE-SG 3.55Å; K135-R208 WeakPolarHBondContact O-CA 3.18Å; K135-Q209 PolarHBondContact N-O 2.7Å; K135-Q209 PolarHBondContact O-N 3.25Å; K135-E232 VanDerWaalsContact CD-O 3.25Å; K135-E232 WeakPolarHBondContact CD-O 3.47Å; K135-E232 IonicContact NZ-OE2 3.53Å; K135-E232 PolarHBondContact NZ-OE2 3.18Å; K135-D234 WeakPolarHBondContact CA-OD1 3.36Å
136N90.9Very high89.4Confident34 Ų3462.4 Ų62.418%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-81.1119.6169.5-64.6-50.9000109I206 M207 R208 D234 Q235N136-I206 HydrophobicContact CB-CB 4.5Å; N136-I206 HydrophobicContact CB-CD1 4.16Å; N136-M207 WeakPolarHBondContact CA-O 3.33Å; N136-R208 VanDerWaalsContact OD1-CG 3.28Å; N136-R208 WeakPolarHBondContact OD1-CG 3.46Å; N136-D234 HydrophobicContact CB-CB 4.28Å; N136-D234 PolarHBondContact N-OD1 3.12Å; N136-D234 PolarHBondContact ND2-OD1 2.8Å; N136-D234 PolarHBondContact ND2-OD2 2.97Å; N136-Q235 WeakPolarHBondContact O-CB 3.41Å; N136-Q235 PolarHBondContact O-N 2.8Å
137C91.2Very high89.1Confident14 Ų1461.2 Ų61.210%0.09530%0.297CS..EExtended strand (participates in β ladder)trans-106.9149.4172.3-64.30000109.6K135 C139 I206 M207 Q209K135-C137 VanDerWaalsContact CE-SG 3.55Å; C137-C139 PolarHBondContact O-N 2.93Å; C137-I206 CarbonylContact O-C 3.44Å; C137-I206 VanDerWaalsContact O-CA 3.31Å; C137-I206 WeakPolarHBondContact O-CA 3.44Å; C137-M207 PolarHBondContact N-O 2.77Å; C137-M207 PolarHBondContact O-N 3.48Å; C137-Q209 PolarHBondContact SG-OE1 3.02Å
138I90.9Very high88.5Confident56 Ų5667.5 Ų67.529%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-59.9133.7170.1-67.3170.9000108.8E140 Q235I138-E140 PolarHBondContact O-N 2.94Å; I138-Q235 HydrophobicContact CG1-CB 4.02Å
139C89.8Confident87.8Confident3 Ų370.2 Ų70.22%0.0232%0.319CS..  trans-64.8112.5-178.9177.50000110.5C137 R141 C142 E143 C201 K205 M207C137-C139 PolarHBondContact O-N 2.93Å; C139-R141 VanDerWaalsContact C-N 3.26Å; C139-R141 PolarHBondContact O-N 3.42Å; C139-C142 VanDerWaalsContact CB-SG 3.57Å; C139-C142 PolarHBondContact O-N 3.09Å; C139-C142 VanDerWaalsContact O-N 3.14Å; C139-E143 WeakPolarHBondContact O-CA 3.48Å; C139-E143 PolarHBondContact O-N 3.48Å; C139-C201 HydrophobicContact CB-CB 3.93Å; C139-K205 VanDerWaalsContact CB-O 3.3Å; C139-K205 WeakPolarHBondContact CB-O 3.34Å; C139-K205 PolarHBondContact N-O 3.16Å; C139-M207 HydrophobicContact CB-CG 3.89Å
140E88.2Confident86.9Confident160 Ų16070.6 Ų70.675%0.74835%0.347SS*.THydrogen-bonded Turntrans-54.1-39.9-178.4-63.6174.5-179.500112.7I138 C142I138-E140 PolarHBondContact O-N 2.94Å; E140-C142 VanDerWaalsContact C-N 3.33Å; E140-C142 PolarHBondContact O-N 3.42Å
141R86.7Confident86.2Confident194 Ų19464.6 Ų64.673%0.73233%0.325SS*.THydrogen-bonded Turntrans-68.7-26.1-177.8-66.4-163.7-173.1175.3-9.3114.7C139 T200C139-R141 VanDerWaalsContact C-N 3.26Å; C139-R141 PolarHBondContact O-N 3.42Å; R141-T200 VanDerWaalsContact CD-OG1 3.28Å; R141-T200 WeakPolarHBondContact CD-OG1 3.37Å; R141-T200 PolarHBondContact NE-OG1 3.47Å; R141-T200 PolarHBondContact NH1-OG1 3.29Å
142C85.3Confident85.5Confident3 Ų364.5 Ų64.52%0.0233%0.33CS..THydrogen-bonded Turntrans-118.7-2.3-179.171.20000113.6C139 E140 G144 R145 G146 C198C139-C142 VanDerWaalsContact CB-SG 3.57Å; C139-C142 PolarHBondContact O-N 3.09Å; C139-C142 VanDerWaalsContact O-N 3.14Å; E140-C142 VanDerWaalsContact C-N 3.33Å; E140-C142 PolarHBondContact O-N 3.42Å; C142-G144 PolarHBondContact O-N 2.87Å; C142-R145 VanDerWaalsContact O-CB 3.28Å; C142-R145 WeakPolarHBondContact O-CB 3.45Å; C142-R145 WeakPolarHBondContact O-CG 3.25Å; C142-R145 PolarHBondContact O-N 3.25Å; C142-R145 PolarHBondContact O-NE 3.16Å; C142-G146 PolarHBondContact SG-N 3.36Å; C142-C198 HydrophobicContact CB-CB 4.03Å
143E85.1Confident85Confident122 Ų12267.1 Ų67.157%0.5733%0.332SS*.THydrogen-bonded Turntrans50.442-177.8-61.7156.9-154.600111.3C139 R145C139-E143 WeakPolarHBondContact O-CA 3.48Å; C139-E143 PolarHBondContact O-N 3.48Å; E143-R145 VanDerWaalsContact C-N 3.27Å; E143-R145 PolarHBondContact O-N 3.42Å; E143-R145 IonicContact OE1-NH2 3.69Å; E143-R145 IonicContact OE2-CZ 2.73Å; E143-R145 IonicContact OE2-NH1 2.86Å; E143-R145 IonicContact OE2-NH2 2.79Å; E143-R145 PolarHBondContact OE2-NH2 3.44Å
144G83.6Confident84.6Confident8 Ų872.1 Ų72.18%0.08236%0.357CS..THydrogen-bonded Turntrans75.7617900000115.5C142 K205C142-G144 PolarHBondContact O-N 2.87Å; G144-K205 WeakPolarHBondContact O-CB 3.33Å; G144-K205 WeakPolarHBondContact O-CD 3.49Å; G144-K205 VanDerWaalsContact O-CG 3.22Å; G144-K205 WeakPolarHBondContact O-CG 3.38Å
145R83.7Confident84.3Confident81 Ų8166.4 Ų66.431%0.30633%0.33SS..  trans-78-29.7175.9-67.6174-74.4-140.4-11.2113.5C142 E143 S147 K205C142-R145 VanDerWaalsContact O-CB 3.28Å; C142-R145 WeakPolarHBondContact O-CB 3.45Å; C142-R145 WeakPolarHBondContact O-CG 3.25Å; C142-R145 PolarHBondContact O-N 3.25Å; C142-R145 PolarHBondContact O-NE 3.16Å; E143-R145 VanDerWaalsContact C-N 3.27Å; E143-R145 PolarHBondContact O-N 3.42Å; E143-R145 IonicContact OE1-NH2 3.69Å; E143-R145 IonicContact OE2-CZ 2.73Å; E143-R145 IonicContact OE2-NH1 2.86Å; E143-R145 IonicContact OE2-NH2 2.79Å; E143-R145 PolarHBondContact OE2-NH2 3.44Å; R145-S147 PolarHBondContact O-N 2.81Å; R145-K205 VanDerWaalsContact O-CE 3.31Å; R145-K205 WeakPolarHBondContact O-CE 3.29Å
146G82.4Confident84Confident0 Ų072.3 Ų72.30%036%0.36CS..SBendtrans77.3-7.9-178.900000114.4C142 C198 G203C142-G146 PolarHBondContact SG-N 3.36Å; G146-C198 PolarHBondContact O-N 3.06Å; G146-G203 WeakPolarHBondContact O-CA 3.21Å
147S85.8Confident83.7Confident4 Ų472.9 Ų72.93%0.02837%0.366CS..BIsolated β-bridgetrans-130.3174.2175.869.80000111.7R145 D196R145-S147 PolarHBondContact O-N 2.81Å; S147-D196 VanDerWaalsContact CA-O 3.23Å; S147-D196 WeakPolarHBondContact CA-O 3.14Å; S147-D196 WeakPolarHBondContact CB-O 3.45Å
148R81.3Confident83.3Confident153 Ų15372.5 Ų72.558%0.57736%0.364SS*.SBendtrans-61154.1160.9-63.6-178.9-176.2-165.42.3110.2G150 A151 D196R148-G150 PolarHBondContact O-N 2.8Å; R148-A151 HydrophobicContact CB-CB 4.31Å; R148-A151 PolarHBondContact O-N 3.32Å; R148-A151 VanDerWaalsContact O-N 3.15Å; R148-D196 PolarHBondContact N-O 3Å
149K78.3Confident82.9Confident153 Ų15375.8 Ų75.867%0.66538%0.377SS*.THydrogen-bonded Turntrans-54.3127.2179-60.2-166.5178.6-178.70109.5A151K149-A151 VanDerWaalsContact C-N 3.31Å; K149-A151 PolarHBondContact O-N 3.37Å
150G73.1Confident82.4Confident84 Ų8477.4 Ų77.487%0.86640%0.395SS*.THydrogen-bonded Turntrans79.1-3.3177.900000116.8R148R148-G150 PolarHBondContact O-N 2.8Å
151A78.1Confident82Confident23 Ų2374.5 Ų74.519%0.1939%0.388CS..  trans-90-5.7-177.300000114.7R148 K149 D196R148-A151 HydrophobicContact CB-CB 4.31Å; R148-A151 PolarHBondContact O-N 3.32Å; R148-A151 VanDerWaalsContact O-N 3.15Å; K149-A151 VanDerWaalsContact C-N 3.31Å; K149-A151 PolarHBondContact O-N 3.37Å; A151-D196 HydrophobicContact CB-CB 3.66Å
152A78.1Confident81.7Confident35 Ų3565.3 Ų65.329%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-80.3119.3174.700000109.6I192A152-I192 HydrophobicContact CB-CG1 4.3Å
153Q81.1Confident81.8Confident145 Ų14567.8 Ų67.868%0.67837%0.369SS*.EExtended strand (participates in β ladder)trans-98.6143.1177-66.6-174.8-22.800110.1C155 Q190 R191Q153-C155 PolarHBondContact O-N 2.69Å; Q153-Q190 CarbonylContact O-C 3.53Å; Q153-Q190 VanDerWaalsContact O-CA 3.29Å; Q153-Q190 WeakPolarHBondContact O-CA 3.38Å; Q153-R191 PolarHBondContact N-O 2.91Å; Q153-R191 PolarHBondContact O-N 3.22Å
154M82.1Confident81.8Confident108 Ų10864.3 Ų64.353%0.53235%0.353SS..EExtended strand (participates in β ladder)trans-64135.8173.9-173.8165.6125.200109.9M156 H159M154-M156 PolarHBondContact O-N 3.37Å; M154-M156 VanDerWaalsContact O-N 3.16Å; M154-H159 VanDerWaalsContact CE-CA 3.42Å; M154-H159 HydrophobicContact CE-CB 3.67Å; M154-H159 WeakPolarHBondContact CE-O 3.27Å
155C84Confident81.8Confident0 Ų068.3 Ų68.30%038%0.375CS..  trans-69.6114.8177.3-178.10000109.8Q153 S157 C158 H159 G160 C185 G189 R191Q153-C155 PolarHBondContact O-N 2.69Å; C155-S157 PolarHBondContact O-N 3.21Å; C155-C158 WeakPolarHBondContact CB-SG 3.33Å; C155-C158 PolarHBondContact O-N 3.47Å; C155-C158 VanDerWaalsContact SG-SG 3.65Å; C155-H159 VanDerWaalsContact O-CA 3.27Å; C155-H159 WeakPolarHBondContact O-CA 3.45Å; C155-H159 PolarHBondContact O-N 3.36Å; C155-G160 PolarHBondContact O-N 3.02Å; C155-C185 HydrophobicContact CB-CB 3.74Å; C155-G189 VanDerWaalsContact CB-O 3.27Å; C155-G189 WeakPolarHBondContact CB-O 3.26Å; C155-G189 PolarHBondContact N-O 3.44Å; C155-R191 HydrophobicContact CB-CG 4.06Å
156M85.4Confident81.6Confident139 Ų13971.4 Ų71.469%0.68539%0.387SS*.THydrogen-bonded Turntrans-64.2-23.5-179.9-61.9-58.3-77.100113.4M154 H159M154-M156 PolarHBondContact O-N 3.37Å; M154-M156 VanDerWaalsContact O-N 3.16Å; M156-H159 PolarHBondContact O-CE1 3.3Å; M156-H159 PolarHBondContact O-NE2 3.12Å
157S84.4Confident81.4Confident46 Ų4678 Ų7832%0.32242%0.42SS..THydrogen-bonded Turntrans-85.3-16.5-175.5-43.70000113.9C155 Q164 N184C155-S157 PolarHBondContact O-N 3.21Å; S157-Q164 WeakPolarHBondContact O-CG 3.48Å; S157-Q164 PolarHBondContact O-NE2 2.9Å; S157-N184 PolarHBondContact OG-ND2 3.21Å
158C82.2Confident81.1Confident6 Ų683.2 Ų83.24%0.04144%0.443CS..THydrogen-bonded Turntrans-127.84.1174650000112.4C155 G160 T161 G162 V163 Q164 C182 C185C155-C158 WeakPolarHBondContact CB-SG 3.33Å; C155-C158 PolarHBondContact O-N 3.47Å; C155-C158 VanDerWaalsContact SG-SG 3.65Å; C158-G160 PolarHBondContact O-N 2.81Å; C158-G160 VanDerWaalsContact O-N 3.17Å; C158-T161 WeakPolarHBondContact O-CB 3.43Å; C158-T161 WeakPolarHBondContact O-CG2 3.41Å; C158-T161 PolarHBondContact O-N 3.47Å; C158-T161 PolarHBondContact O-OG1 2.97Å; C158-G162 PolarHBondContact SG-N 2.77Å; C158-V163 WeakPolarHBondContact CB-O 3.36Å; C158-Q164 HydrophobicContact CB-CG 4.43Å; C158-C182 HydrophobicContact CB-CB 3.81Å; C158-C185 PolarHBondContact SG-SG 3.28Å
159H82.4Confident80.8Confident124 Ų12482.7 Ų82.757%0.57445%0.447SS*.THydrogen-bonded Turntrans4646.4-176.2-59.7-73.6000113.3M154 C155 M156 T161M154-H159 VanDerWaalsContact CE-CA 3.42Å; M154-H159 HydrophobicContact CE-CB 3.67Å; M154-H159 WeakPolarHBondContact CE-O 3.27Å; C155-H159 VanDerWaalsContact O-CA 3.27Å; C155-H159 WeakPolarHBondContact O-CA 3.45Å; C155-H159 PolarHBondContact O-N 3.36Å; M156-H159 PolarHBondContact O-CE1 3.3Å; M156-H159 PolarHBondContact O-NE2 3.12Å; H159-T161 PolarHBondContact O-N 3.22Å
160G79.4Confident80.8Confident38 Ų3879.7 Ų79.739%0.39244%0.438SS..THydrogen-bonded Turntrans81.5-8.9178.400000115.8C155 C158 G189C155-G160 PolarHBondContact O-N 3.02Å; C158-G160 PolarHBondContact O-N 2.81Å; C158-G160 VanDerWaalsContact O-N 3.17Å; G160-G189 WeakPolarHBondContact CA-O 3.36Å
161T79.6Confident81.2Confident98 Ų9880.8 Ų80.860%0.60142%0.423SS*.SBendtrans-78.5-18.6-176.363.60000114C158 H159 V163C158-T161 WeakPolarHBondContact O-CB 3.43Å; C158-T161 WeakPolarHBondContact O-CG2 3.41Å; C158-T161 PolarHBondContact O-N 3.47Å; C158-T161 PolarHBondContact O-OG1 2.97Å; H159-T161 PolarHBondContact O-N 3.22Å; T161-V163 PolarHBondContact O-N 3.19Å; T161-V163 PolarHBondContact OG1-O 3.48Å
162G81.5Confident81Confident2 Ų286 Ų862%0.02146%0.455CS..SBendtrans78.2-11-179.800000115.1C158 C182 G187C158-G162 PolarHBondContact SG-N 2.77Å; G162-C182 VanDerWaalsContact O-CB 3.25Å; G162-C182 WeakPolarHBondContact O-CB 3.37Å; G162-C182 PolarHBondContact O-N 3.33Å; G162-G187 WeakPolarHBondContact O-CA 3.28Å
163V87.2Confident81.1Confident55 Ų5588.4 Ų88.433%0.33348%0.483SS..EExtended strand (participates in β ladder)trans-125.4152.9-179.9-68.40000111.3C158 T161 S179 T180C158-V163 WeakPolarHBondContact CB-O 3.36Å; T161-V163 PolarHBondContact O-N 3.19Å; T161-V163 PolarHBondContact OG1-O 3.48Å; V163-S179 WeakPolarHBondContact CB-OG 3.45Å; V163-T180 CarbonylContact C-O 3.49Å; V163-T180 WeakPolarHBondContact CA-O 3.44Å
164Q84.6Confident80.7Confident49 Ų4987.1 Ų87.123%0.22948%0.479CS..EExtended strand (participates in β ladder)trans-118.4127.7173.3-73-177.9-22.700108.9S157 C158 R166 T180 C182S157-Q164 WeakPolarHBondContact O-CG 3.48Å; S157-Q164 PolarHBondContact O-NE2 2.9Å; C158-Q164 HydrophobicContact CB-CG 4.43Å; Q164-R166 PolarHBondContact O-N 2.98Å; Q164-T180 PolarHBondContact N-O 3.33Å; Q164-T180 PolarHBondContact O-N 3.2Å; Q164-T180 PolarHBondContact O-OG1 2.61Å; Q164-C182 HydrophobicContact CG-CB 3.99Å
165V82.4Confident80.6Confident91 Ų9185.9 Ų85.955%0.55248%0.477SS*.EExtended strand (participates in β ladder)trans-84.5114.3175.4-175.70000108Q177V165-Q177 HydrophobicContact CG1-CB 3.76Å; V165-Q177 HydrophobicContact CG1-CG 4.07Å
166R79.4Confident80.4Confident147 Ų14790.9 Ų90.956%0.55550%0.501SS*.EExtended strand (participates in β ladder)trans-104.3128.8171-73.5-172.8176-175.50.1108.8Q164 H168 V178Q164-R166 PolarHBondContact O-N 2.98Å; R166-H168 PolarHBondContact O-N 3.31Å; R166-V178 PolarHBondContact N-O 3.17Å; R166-V178 PolarHBondContact O-N 3.45Å
167M79.3Confident80.1Confident139 Ų13991 Ų9169%0.68550%0.5SS*.EExtended strand (participates in β ladder)trans-77.8115.4172.4-65.4-168.6-69.300108.4Q177M167-Q177 HydrophobicContact CG-CG 4.43Å
168H79.6Confident80.1Confident113 Ų11391.6 Ų91.652%0.52350%0.501SS..EExtended strand (participates in β ladder)trans-102.1118.4174.2-157.263.7000108.4R166 L170 Q176 V178R166-H168 PolarHBondContact O-N 3.31Å; H168-L170 PolarHBondContact O-N 2.87Å; H168-Q176 PolarHBondContact N-O 3.41Å; H168-Q176 PolarHBondContact O-N 3.11Å; H168-V178 HydrophobicContact CB-CG2 3.95Å
169Q74.8Confident80.1Confident141 Ų14194.9 Ų94.966%0.65952%0.524SS*.EExtended strand (participates in β ladder)trans-94.898.4-177.1-155.2160.629.300107.7V175Q169-V175 HydrophobicContact CB-CG1 4.27Å; Q169-V175 HydrophobicContact CG-CG1 3.78Å
170L78.6Confident80.3Confident90 Ų9091.4 Ų91.447%0.47151%0.511SS..EExtended strand (participates in β ladder)trans-81.6-31.8-176.4-71.7157.8000111.2H168 M174 Q176H168-L170 PolarHBondContact O-N 2.87Å; L170-M174 PolarHBondContact N-O 2.83Å; L170-Q176 HydrophobicContact CD1-CB 4.1Å; L170-Q176 VanDerWaalsContact CD1-OE1 3.25Å
171L80.7Confident80.7Confident107 Ų10794 Ų9456%0.5652%0.52SS*.EExtended strand (participates in β ladder)trans-145.3158.4178-81.9100.1000111.8G173 M174L171-G173 PolarHBondContact O-N 3.24Å; L171-G173 VanDerWaalsContact O-N 3.14Å; L171-M174 HydrophobicContact CB-CB 4.35Å; L171-M174 PolarHBondContact O-N 3.22Å
172P74.1Confident81Confident133 Ų13389.3 Ų89.386%0.86449%0.491SS*.THydrogen-bonded Turntrans-53.8118.6166.8-21.933000110.3
173G79.9Confident81.2Confident85 Ų8595.1 Ų95.188%0.87652%0.517SS*.THydrogen-bonded Turntrans89.1-5.7-179.100000116.4L171L171-G173 PolarHBondContact O-N 3.24Å; L171-G173 VanDerWaalsContact O-N 3.14Å
174M73.5Confident80.9Confident119 Ų11996.4 Ų96.459%0.58652%0.522SS*.EExtended strand (participates in β ladder)trans-125.9104.6-179.7-166.9171.5160.600111.4L170 L171L170-M174 PolarHBondContact N-O 2.83Å; L171-M174 HydrophobicContact CB-CB 4.35Å; L171-M174 PolarHBondContact O-N 3.22Å
175V79.8Confident80.6Confident82 Ų8294.4 Ų94.450%0.49751%0.514SS..EExtended strand (participates in β ladder)trans-101.6125.6173.8-70.60000110Q169Q169-V175 HydrophobicContact CB-CG1 4.27Å; Q169-V175 HydrophobicContact CG-CG1 3.78Å
176Q79.4Confident80.5Confident105 Ų10597.6 Ų97.649%0.49152%0.523SS..EExtended strand (participates in β ladder)trans-102.7127.9171.3-170.51766.300109.2H168 L170 V178H168-Q176 PolarHBondContact N-O 3.41Å; H168-Q176 PolarHBondContact O-N 3.11Å; L170-Q176 HydrophobicContact CD1-CB 4.1Å; L170-Q176 VanDerWaalsContact CD1-OE1 3.25Å; Q176-V178 HydrophobicContact CG-CG2 4.37Å; Q176-V178 PolarHBondContact O-N 3.06Å
177Q79.8Confident80.4Confident142 Ų14292.5 Ų92.566%0.66452%0.516SS*.EExtended strand (participates in β ladder)trans-79.2109.1172.4-69.6-174.81.500109V165 M167V165-Q177 HydrophobicContact CG1-CB 3.76Å; V165-Q177 HydrophobicContact CG1-CG 4.07Å; M167-Q177 HydrophobicContact CG-CG 4.43Å
178V83.3Confident80.3Confident58 Ų5890.3 Ų90.335%0.35250%0.504SS..EExtended strand (participates in β ladder)trans-101.7115.9177.4-177.50000108.7R166 H168 Q176 T180R166-V178 PolarHBondContact N-O 3.17Å; R166-V178 PolarHBondContact O-N 3.45Å; H168-V178 HydrophobicContact CB-CG2 3.95Å; Q176-V178 HydrophobicContact CG-CG2 4.37Å; Q176-V178 PolarHBondContact O-N 3.06Å; V178-T180 PolarHBondContact O-N 3.31Å
179S82.3Confident80.2Confident75 Ų7585 Ų8552%0.52448%0.48SS..EExtended strand (participates in β ladder)trans-79.2112.6174.7175.80000109.9V163V163-S179 WeakPolarHBondContact CB-OG 3.45Å
180T87.8Confident80.6Confident50 Ų5082.3 Ų82.331%0.30747%0.467SS..EExtended strand (participates in β ladder)trans-105.4147.2175.73.60000110.4V163 Q164 V178 C182V163-T180 CarbonylContact C-O 3.49Å; V163-T180 WeakPolarHBondContact CA-O 3.44Å; Q164-T180 PolarHBondContact N-O 3.33Å; Q164-T180 PolarHBondContact O-N 3.2Å; Q164-T180 PolarHBondContact O-OG1 2.61Å; V178-T180 PolarHBondContact O-N 3.31Å; T180-C182 PolarHBondContact O-N 2.98Å
181V88.3Confident80.7Confident93 Ų9384.1 Ų84.156%0.56447%0.468SS*.EExtended strand (participates in β ladder)trans-61.4131.8174.7-69.20000110.3H183V181-H183 PolarHBondContact O-N 2.75Å; V181-H183 VanDerWaalsContact O-N 3.09Å
182C85.9Confident80.8Confident0 Ų080 Ų800%045%0.446CS..  trans-66.3114-178.4178.50000109.9C158 G162 Q164 T180 N184 C185 Q186C158-C182 HydrophobicContact CB-CB 3.81Å; G162-C182 VanDerWaalsContact O-CB 3.25Å; G162-C182 WeakPolarHBondContact O-CB 3.37Å; G162-C182 PolarHBondContact O-N 3.33Å; Q164-C182 HydrophobicContact CG-CB 3.99Å; T180-C182 PolarHBondContact O-N 2.98Å; C182-N184 PolarHBondContact O-N 3.31Å; C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 PolarHBondContact O-N 3.24Å; C182-Q186 VanDerWaalsContact O-CA 3.3Å; C182-Q186 WeakPolarHBondContact O-CA 3.42Å; C182-Q186 PolarHBondContact O-N 3.15Å
183H84.8Confident81.2Confident124 Ų12476.8 Ų76.857%0.57443%0.427SS*.THydrogen-bonded Turntrans-60.1-30.8-178.9-63.9-67.1000113.3V181V181-H183 PolarHBondContact O-N 2.75Å; V181-H183 VanDerWaalsContact O-N 3.09Å
184N81.3Confident81.2Confident82 Ų8280.5 Ų80.544%0.43942%0.421SS..THydrogen-bonded Turntrans-74.5-25.5-176.9-72.6-17.6000114.3S157 C182S157-N184 PolarHBondContact OG-ND2 3.21Å; C182-N184 PolarHBondContact O-N 3.31Å
185C77.2Confident81.5Confident7 Ų783.7 Ų83.75%0.04743%0.432CS..THydrogen-bonded Turntrans-121.23.5175.268.50000113.6C155 C158 C182 G187 Q188 G189 R191C155-C185 HydrophobicContact CB-CB 3.74Å; C158-C185 PolarHBondContact SG-SG 3.28Å; C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 PolarHBondContact O-N 3.24Å; C185-G187 PolarHBondContact O-N 2.79Å; C185-G187 VanDerWaalsContact O-N 3.16Å; C185-Q188 VanDerWaalsContact O-CB 3.31Å; C185-Q188 WeakPolarHBondContact O-CB 3.15Å; C185-Q188 WeakPolarHBondContact O-CG 3.35Å; C185-Q188 PolarHBondContact O-N 3.03Å; C185-G189 PolarHBondContact SG-N 2.84Å; C185-G189 VanDerWaalsContact SG-N 3.41Å; C185-R191 HydrophobicContact CB-CG 4.31Å
186Q80.6Confident81.7Confident158 Ų15882.2 Ų82.274%0.73842%0.421SS*.THydrogen-bonded Turntrans47.443.3-178.4-59.8177.3-8.100112.9C182 Q188C182-Q186 VanDerWaalsContact O-CA 3.3Å; C182-Q186 WeakPolarHBondContact O-CA 3.42Å; C182-Q186 PolarHBondContact O-N 3.15Å; Q186-Q188 VanDerWaalsContact C-N 3.3Å; Q186-Q188 PolarHBondContact O-N 2.89Å
187G77.7Confident82Confident40 Ų4083 Ų8341%0.41242%0.42SS..THydrogen-bonded Turntrans81.9-8.2-178.400000116.4G162 C185 G189G162-G187 WeakPolarHBondContact O-CA 3.28Å; C185-G187 PolarHBondContact O-N 2.79Å; C185-G187 VanDerWaalsContact O-N 3.16Å; G187-G189 PolarHBondContact O-N 2.84Å
188Q77.7Confident82.3Confident92 Ų9276.9 Ų76.943%0.4339%0.393SS..SBendtrans-79.5-13-174.1-59.6-174.27.500115C185 Q186 Q190C185-Q188 VanDerWaalsContact O-CB 3.31Å; C185-Q188 WeakPolarHBondContact O-CB 3.15Å; C185-Q188 WeakPolarHBondContact O-CG 3.35Å; C185-Q188 PolarHBondContact O-N 3.03Å; Q186-Q188 VanDerWaalsContact C-N 3.3Å; Q186-Q188 PolarHBondContact O-N 2.89Å; Q188-Q190 PolarHBondContact O-N 2.83Å
189G77.8Confident82.5Confident2 Ų282.9 Ų82.92%0.02141%0.414CS..SBendtrans70.4-18.5-17700000115.1C155 G160 C185 G187C155-G189 VanDerWaalsContact CB-O 3.27Å; C155-G189 WeakPolarHBondContact CB-O 3.26Å; C155-G189 PolarHBondContact N-O 3.44Å; G160-G189 WeakPolarHBondContact CA-O 3.36Å; C185-G189 PolarHBondContact SG-N 2.84Å; C185-G189 VanDerWaalsContact SG-N 3.41Å; G187-G189 PolarHBondContact O-N 2.84Å
190Q82.3Confident82.8Confident84 Ų8481.7 Ų81.739%0.39340%0.404SS..EExtended strand (participates in β ladder)trans-120.8145.6179-63.4173.25.900110.2Q153 Q188Q153-Q190 CarbonylContact O-C 3.53Å; Q153-Q190 VanDerWaalsContact O-CA 3.29Å; Q153-Q190 WeakPolarHBondContact O-CA 3.38Å; Q188-Q190 PolarHBondContact O-N 2.83Å
191R81.7Confident82.6Confident128 Ų12879.6 Ų79.648%0.48339%0.391SS..EExtended strand (participates in β ladder)trans-106.7129.9171.9-68.3-177.677.5176.82.2108.8Q153 C155 C185Q153-R191 PolarHBondContact N-O 2.91Å; Q153-R191 PolarHBondContact O-N 3.22Å; C155-R191 HydrophobicContact CB-CG 4.06Å; C185-R191 HydrophobicContact CB-CG 4.31Å
192I82.5Confident82.5Confident20 Ų2078 Ų7810%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-116.7120.1176.4-57165.8000107.3A152 D196 R197A152-I192 HydrophobicContact CB-CG1 4.3Å; I192-D196 HydrophobicContact CG2-CB 4.32Å; I192-R197 HydrophobicContact CB-CG 4.46Å; I192-R197 HydrophobicContact CG2-CB 4.49Å; I192-R197 HydrophobicContact CG2-CG 3.76Å
193S81Confident82.2Confident66 Ų6678.4 Ų78.446%0.46239%0.392SS..  trans-59.2145.8174177.50000110.5K195 D196 R197S193-K195 PolarHBondContact O-N 2.8Å; S193-K195 VanDerWaalsContact O-N 3.15Å; S193-D196 WeakPolarHBondContact CB-OD2 3.48Å; S193-D196 PolarHBondContact O-N 2.64Å; S193-R197 PolarHBondContact O-N 2.91Å
194Q80.3Confident82.1Confident164 Ų16482 Ų8277%0.76640%0.4SS*.THydrogen-bonded Turntrans-58.1-31.7-176.6-166.5169.914.400112.8D196Q194-D196 VanDerWaalsContact C-N 3.31Å; Q194-D196 PolarHBondContact O-N 2.73Å
195K81.1Confident82.4Confident185 Ų18579.9 Ų79.980%0.80439%0.387SS*.THydrogen-bonded Turntrans-69.7-27.9177-63.3-177.7-179.5-179.40113.1S193S193-K195 PolarHBondContact O-N 2.8Å; S193-K195 VanDerWaalsContact O-N 3.15Å
196D84Confident83Confident52 Ų5281.7 Ų81.728%0.27840%0.396SS..THydrogen-bonded Turntrans-100.6-3-172.5-61.8-49.7000113.8S147 R148 A151 I192 S193 Q194 C198S147-D196 VanDerWaalsContact CA-O 3.23Å; S147-D196 WeakPolarHBondContact CA-O 3.14Å; S147-D196 WeakPolarHBondContact CB-O 3.45Å; R148-D196 PolarHBondContact N-O 3Å; A151-D196 HydrophobicContact CB-CB 3.66Å; I192-D196 HydrophobicContact CG2-CB 4.32Å; S193-D196 WeakPolarHBondContact CB-OD2 3.48Å; S193-D196 PolarHBondContact O-N 2.64Å; Q194-D196 VanDerWaalsContact C-N 3.31Å; Q194-D196 PolarHBondContact O-N 2.73Å; D196-C198 PolarHBondContact O-N 2.83Å
197R85.9Confident83.5Confident120 Ų12077.4 Ų77.445%0.45338%0.377SS..BIsolated β-bridgetrans-60137.7173-68.9-179-175.3-169.21.3109.7I192 S193 K199I192-R197 HydrophobicContact CB-CG 4.46Å; I192-R197 HydrophobicContact CG2-CB 4.49Å; I192-R197 HydrophobicContact CG2-CG 3.76Å; S193-R197 PolarHBondContact O-N 2.91Å; R197-K199 PolarHBondContact O-N 3.08Å
198C85.9Confident84.1Confident14 Ų1485 Ų8510%0.09539%0.393CS..  trans-57.4127.1172.5178.40000109.3C142 G146 D196 T200 C201 A202C142-C198 HydrophobicContact CB-CB 4.03Å; G146-C198 PolarHBondContact O-N 3.06Å; D196-C198 PolarHBondContact O-N 2.83Å; C198-T200 PolarHBondContact O-N 3.31Å; C198-C201 VanDerWaalsContact CB-SG 3.55Å; C198-A202 WeakPolarHBondContact O-CA 3.21Å; C198-A202 PolarHBondContact O-N 3.12Å
199K87.1Confident84.8Confident184 Ų18485.1 Ų85.180%0.839%0.393SS*.THydrogen-bonded Turntrans-62.7-28.5-179.1-65.1-175.8176.4-175.60112.9R197R197-K199 PolarHBondContact O-N 3.08Å
200T87.8Confident85.4Confident51 Ų5192.7 Ų92.731%0.31343%0.426SS..THydrogen-bonded Turntrans-82.8-48-175.7-59.50000112.3R141 C198 M207R141-T200 VanDerWaalsContact CD-OG1 3.28Å; R141-T200 WeakPolarHBondContact CD-OG1 3.37Å; R141-T200 PolarHBondContact NE-OG1 3.47Å; R141-T200 PolarHBondContact NH1-OG1 3.29Å; C198-T200 PolarHBondContact O-N 3.31Å; T200-M207 HydrophobicContact CG2-CE 3.73Å; T200-M207 HydrophobicContact CG2-CG 4.38Å; T200-M207 HydrophobicContact CG2-SD 3.96Å; T200-M207 WeakPolarHBondContact O-CE 3.46Å
201C84.9Confident85.9Confident5 Ų592.5 Ų92.53%0.03442%0.424CS..THydrogen-bonded Turntrans-96.60.4179.676.40000114.1C139 C198 G203 R204 K205 M207C139-C201 HydrophobicContact CB-CB 3.93Å; C198-C201 VanDerWaalsContact CB-SG 3.55Å; C201-G203 PolarHBondContact O-N 3.23Å; C201-R204 VanDerWaalsContact O-CB 3.24Å; C201-R204 WeakPolarHBondContact O-CB 3.07Å; C201-R204 WeakPolarHBondContact O-CG 3.44Å; C201-R204 PolarHBondContact O-N 2.82Å; C201-K205 PolarHBondContact SG-N 3.27Å; C201-M207 WeakPolarHBondContact CA-SD 3.45Å; C201-M207 HydrophobicContact CB-CG 4.27Å; C201-M207 HydrophobicContact CB-SD 3.62Å
202A85Confident86.4Confident61 Ų6191.8 Ų91.850%0.50443%0.428SS..THydrogen-bonded Turntrans49.633.1-176.400000114.2C198C198-A202 WeakPolarHBondContact O-CA 3.21Å; C198-A202 PolarHBondContact O-N 3.12Å
203G80.7Confident86.9Confident8 Ų891.3 Ų91.38%0.08243%0.426CS..THydrogen-bonded Turntrans86.8-2.2-176.200000116.2G146 C201 K205G146-G203 WeakPolarHBondContact O-CA 3.21Å; C201-G203 PolarHBondContact O-N 3.23Å; G203-K205 VanDerWaalsContact C-N 3.33Å; G203-K205 PolarHBondContact O-N 3.39Å
204R81.9Confident87.5Confident199 Ų19992.9 Ų92.975%0.75143%0.426SS*.  trans-77.5-9.3-178.9-61.9-178.7-178.6178.30.5115.3C201 I206C201-R204 VanDerWaalsContact O-CB 3.24Å; C201-R204 WeakPolarHBondContact O-CB 3.07Å; C201-R204 WeakPolarHBondContact O-CG 3.44Å; C201-R204 PolarHBondContact O-N 2.82Å; R204-I206 PolarHBondContact O-N 3.3Å
205K86.7Confident88.2Confident38 Ų3885.1 Ų85.117%0.16539%0.39CS..SBendtrans68-22.8179.2-54.7173.1171.8-173.30115.9C139 G144 R145 C201 G203 P237C139-K205 VanDerWaalsContact CB-O 3.3Å; C139-K205 WeakPolarHBondContact CB-O 3.34Å; C139-K205 PolarHBondContact N-O 3.16Å; G144-K205 WeakPolarHBondContact O-CB 3.33Å; G144-K205 WeakPolarHBondContact O-CD 3.49Å; G144-K205 VanDerWaalsContact O-CG 3.22Å; G144-K205 WeakPolarHBondContact O-CG 3.38Å; R145-K205 VanDerWaalsContact O-CE 3.31Å; R145-K205 WeakPolarHBondContact O-CE 3.29Å; C201-K205 PolarHBondContact SG-N 3.27Å; G203-K205 VanDerWaalsContact C-N 3.33Å; G203-K205 PolarHBondContact O-N 3.39Å; K205-P237 HydrophobicContact CB-CG 3.68Å; K205-P237 HydrophobicContact CD-CG 4.17Å
206I90.9Very high88.8Confident44 Ų4481.5 Ų81.523%0.22638%0.376CS..EExtended strand (participates in β ladder)trans-116.9157.5178.658.6174.1000112N136 C137 R204 Q235 P237N136-I206 HydrophobicContact CB-CB 4.5Å; N136-I206 HydrophobicContact CB-CD1 4.16Å; C137-I206 CarbonylContact O-C 3.44Å; C137-I206 VanDerWaalsContact O-CA 3.31Å; C137-I206 WeakPolarHBondContact O-CA 3.44Å; R204-I206 PolarHBondContact O-N 3.3Å; I206-Q235 WeakPolarHBondContact CG2-O 3.38Å; I206-P237 HydrophobicContact CG2-CG 4.38Å
207M91Very high89.3Confident68 Ų6879.3 Ų79.334%0.33536%0.364SS..EExtended strand (participates in β ladder)trans-132.5140.9176.6-67.2-61.3-66.200110.1N136 C137 C139 T200 C201N136-M207 WeakPolarHBondContact CA-O 3.33Å; C137-M207 PolarHBondContact N-O 2.77Å; C137-M207 PolarHBondContact O-N 3.48Å; C139-M207 HydrophobicContact CB-CG 3.89Å; T200-M207 HydrophobicContact CG2-CE 3.73Å; T200-M207 HydrophobicContact CG2-CG 4.38Å; T200-M207 HydrophobicContact CG2-SD 3.96Å; T200-M207 WeakPolarHBondContact O-CE 3.46Å; C201-M207 WeakPolarHBondContact CA-SD 3.45Å; C201-M207 HydrophobicContact CB-CG 4.27Å; C201-M207 HydrophobicContact CB-SD 3.62Å
208R90.9Very high89.7Confident200 Ų20077.3 Ų77.376%0.75536%0.362SS*.EExtended strand (participates in β ladder)trans-79.3122.8172.3-71.8-179.7-179.8171.1-1.6109.8K135 N136K135-R208 WeakPolarHBondContact O-CA 3.18Å; N136-R208 VanDerWaalsContact OD1-CG 3.28Å; N136-R208 WeakPolarHBondContact OD1-CG 3.46Å
209Q90.8Very high90Very high94 Ų9481.5 Ų81.544%0.43938%0.379SS..EExtended strand (participates in β ladder)trans-121.8137.6176.5-166.7174.120.500109.8K135 C137K135-Q209 PolarHBondContact N-O 2.7Å; K135-Q209 PolarHBondContact O-N 3.25Å; C137-Q209 PolarHBondContact SG-OE1 3.02Å
210K92Very high90.2Very high162 Ų16272.8 Ų72.870%0.70434%0.341SS*.EExtended strand (participates in β ladder)trans-86124.3170.5-67.7-175.1178.2-176.80108.4Q134Q134-K210 HydrophobicContact CG-CG 4.16Å
211K91.3Very high90.5Very high79 Ų7970.6 Ų70.634%0.34333%0.328SS..EExtended strand (participates in β ladder)trans-123.3136.5173.5-174.7172.2177.8177.90109.1V133 L213 E232V133-K211 PolarHBondContact N-O 3.32Å; V133-K211 PolarHBondContact O-N 3.5Å; K211-L213 HydrophobicContact CD-CD2 4.1Å; K211-L213 HydrophobicContact CG-CD2 4.2Å; K211-E232 WeakPolarHBondContact CD-OE2 3.23Å; K211-E232 IonicContact NZ-OE1 2.7Å; K211-E232 PolarHBondContact NZ-OE1 3.14Å; K211-E232 IonicContact NZ-OE2 3.66Å; K211-E232 PolarHBondContact NZ-OE2 2.87Å
212I93.1Very high90.9Very high114 Ų11475.8 Ų75.859%0.58535%0.349SS*.EExtended strand (participates in β ladder)trans-93.7120.2174.4-57173000106.9K130 L131K130-I212 HydrophobicContact CB-CG2 3.86Å; K130-I212 HydrophobicContact CD-CG2 4.38Å; K130-I212 HydrophobicContact CG-CG2 4.48Å; L131-I212 WeakPolarHBondContact O-CA 3.2Å
213L92.8Very high91.4Very high10 Ų1077.2 Ų77.25%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-100.4131.4173.9-59.6178.9000108.6K130 L131 V133 K211 F229 I244K130-L213 WeakPolarHBondContact CA-O 3.47Å; L131-L213 PolarHBondContact N-O 3.45Å; L131-L213 PolarHBondContact O-N 3.13Å; V133-L213 HydrophobicContact CB-CD1 4.47Å; V133-L213 HydrophobicContact CG2-CD1 3.89Å; V133-L213 HydrophobicContact CG2-CG 4.44Å; K211-L213 HydrophobicContact CD-CD2 4.1Å; K211-L213 HydrophobicContact CG-CD2 4.2Å; L213-F229 HydrophobicContact CD1-CG 4.38Å; L213-I244 HydrophobicContact CD1-CD1 3.86Å; L213-I244 HydrophobicContact CD1-CG2 4.41Å
214E94.1Very high91.9Very high99 Ų9978.6 Ų78.646%0.46336%0.363SS..EExtended strand (participates in β ladder)trans-92.6114.9174.5-57-166155.300108.4K130K130-E214 VanDerWaalsContact CE-OE1 3.23Å; K130-E214 WeakPolarHBondContact CE-OE1 3.27Å; K130-E214 HydrophobicContact CG-CG 4.31Å; K130-E214 IonicContact NZ-OE1 2.68Å; K130-E214 PolarHBondContact NZ-OE1 3.4Å
215V94.9Very high92.5Very high0 Ų071.1 Ų71.10%034%0.336CS..EExtended strand (participates in β ladder)trans-102.1113.7-176.9-171.30000107.9I116 T128 R129 L131 I227 F229 I246I116-V215 HydrophobicContact CD1-CB 4.22Å; I116-V215 HydrophobicContact CD1-CG1 4.31Å; I116-V215 HydrophobicContact CD1-CG2 3.78Å; T128-V215 WeakPolarHBondContact CA-O 3.34Å; R129-V215 PolarHBondContact N-O 3.3Å; R129-V215 WeakPolarHBondContact O-CB 3.27Å; R129-V215 PolarHBondContact O-N 2.78Å; L131-V215 HydrophobicContact CB-CG2 4.31Å; V215-I227 HydrophobicContact CG1-CD1 3.53Å; V215-F229 HydrophobicContact CG2-CE2 4.16Å; V215-F229 HydrophobicContact CG2-CZ 4.06Å; V215-I246 HydrophobicContact CG1-CD1 4.34Å; V215-I246 HydrophobicContact CG1-CG2 4.4Å; V215-I246 HydrophobicContact CG2-CD1 3.36Å
216H93.6Very high92.9Very high110 Ų11075.9 Ų75.951%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-86.5116.8175.4-62.9-80.2000109.2T128T128-H216 WeakPolarHBondContact CG2-ND1 3.34Å
217V94.6Very high93.1Very high5 Ų575.2 Ų75.23%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-97.6106.8172.6-175.10000107.1V118 L123 G126 A127 M221 L248V118-V217 HydrophobicContact CG1-CG2 4.24Å; L123-V217 HydrophobicContact CD2-CG1 3.74Å; G126-V217 CarbonylContact C-O 3.53Å; G126-V217 WeakPolarHBondContact CA-O 3.37Å; A127-V217 PolarHBondContact N-O 3.14Å; A127-V217 WeakPolarHBondContact O-CA 3.05Å; A127-V217 WeakPolarHBondContact O-CB 3.47Å; A127-V217 PolarHBondContact O-N 2.91Å; V217-M221 HydrophobicContact CG1-SD 4.19Å; V217-L248 HydrophobicContact CG1-CD1 4.28Å; V217-L248 HydrophobicContact CG2-CD2 4.15Å
218D93.3Very high93.2Very high79 Ų7974.9 Ų74.942%0.42236%0.355SS..  trans-74.5153.9178.7-64.5-37.3000111.4G220 M221 Y316D218-G220 PolarHBondContact O-N 3.36Å; D218-M221 HydrophobicContact CB-CG 3.88Å; D218-M221 HydrophobicContact CB-SD 3.98Å; D218-M221 PolarHBondContact N-SD 2.83Å; D218-M221 VanDerWaalsContact O-CG 3.26Å; D218-M221 WeakPolarHBondContact O-CG 3.39Å; D218-M221 PolarHBondContact O-N 3.1Å; D218-Y316 HydrophobicContact CB-CD2 4.35Å; D218-Y316 HydrophobicContact CB-CE2 3.86Å
219K93.4Very high93.4Very high102 Ų10267.5 Ų67.544%0.44333%0.329SS..THydrogen-bonded Turntrans-57.6129.6173.4-62.5179.5174.4179.80110.6Y124 N125 M221 P314 P319Y124-K219 WeakPolarHBondContact O-CG 3.27Å; N125-K219 WeakPolarHBondContact O-CE 3.33Å; K219-M221 VanDerWaalsContact C-N 3.31Å; K219-M221 PolarHBondContact O-N 3.47Å; K219-P314 HydrophobicContact CB-CB 4.5Å; K219-P314 HydrophobicContact CB-CG 4.18Å; K219-P319 HydrophobicContact CB-CB 4.37Å; K219-P319 HydrophobicContact CD-CB 4.09Å
220G91.3Very high93.5Very high1 Ų169.7 Ų69.71%0.0134%0.338CS..THydrogen-bonded Turntrans81.84.1175.300000114.9L123 D218 R258 P314L123-G220 PolarHBondContact O-N 3.15Å; D218-G220 PolarHBondContact O-N 3.36Å; G220-R258 PolarHBondContact O-NH2 2.85Å; G220-P314 WeakPolarHBondContact CA-O 3.38Å
221M94Very high93.3Very high5 Ų563.2 Ų63.23%0.02532%0.318CS..PPolyproline II helixtrans-53.7146171.2-74.9-17394.300111L123 V217 D218 K219 Q225 I227 L248 R258 Y316L123-M221 HydrophobicContact CD2-CB 4.07Å; V217-M221 HydrophobicContact CG1-SD 4.19Å; D218-M221 HydrophobicContact CB-CG 3.88Å; D218-M221 HydrophobicContact CB-SD 3.98Å; D218-M221 PolarHBondContact N-SD 2.83Å; D218-M221 VanDerWaalsContact O-CG 3.26Å; D218-M221 WeakPolarHBondContact O-CG 3.39Å; D218-M221 PolarHBondContact O-N 3.1Å; K219-M221 VanDerWaalsContact C-N 3.31Å; K219-M221 PolarHBondContact O-N 3.47Å; M221-Q225 HydrophobicContact CE-CB 4.49Å; M221-Q225 VanDerWaalsContact CE-CD 3.47Å; M221-Q225 HydrophobicContact CE-CG 3.84Å; M221-Q225 VanDerWaalsContact CE-NE2 3.34Å; M221-I227 HydrophobicContact CE-CD1 3.89Å; M221-I227 HydrophobicContact CE-CG1 3.72Å; M221-I227 HydrophobicContact SD-CD1 4.35Å; M221-L248 HydrophobicContact CB-CD1 3.93Å; M221-L248 HydrophobicContact CE-CD1 3.86Å; M221-L248 HydrophobicContact SD-CD1 3.85Å; M221-R258 VanDerWaalsContact O-CZ 3.28Å; M221-R258 PolarHBondContact O-NH1 2.67Å; M221-R258 PolarHBondContact O-NH2 3.29Å; M221-Y316 HydrophobicContact CG-CD2 3.76Å; M221-Y316 HydrophobicContact CG-CE2 3.64Å
222K93.1Very high93.3Very high113 Ų11361.4 Ų61.449%0.49131%0.311SS..PPolyproline II helixtrans-92.8156.6-176.2-64.7-179.3-179.2-177.40111Q225K222-Q225 WeakPolarHBondContact O-CB 3.3Å; K222-Q225 PolarHBondContact O-N 2.79Å
223D94.1Very high93.2Very high92 Ų9256 Ų5649%0.49228%0.283SS..THydrogen-bonded Turntrans-57.5142.6166.1-179.250.5000111Q225 Q250D223-Q225 PolarHBondContact O-N 3.27Å; D223-Q225 VanDerWaalsContact O-N 3.15Å; D223-Q250 HydrophobicContact CB-CB 3.85Å; D223-Q250 WeakPolarHBondContact OD1-CB 3.41Å; D223-Q250 PolarHBondContact OD1-N 3.38Å
224G93.1Very high93.1Very high36 Ų3657.9 Ų57.937%0.37129%0.293SS..THydrogen-bonded Turntrans69.71.2-176.100000115.5L248G224-L248 VanDerWaalsContact CA-O 3.27Å; G224-L248 WeakPolarHBondContact CA-O 3.48Å; G224-L248 PolarHBondContact N-O 3.33Å
225Q93.9Very high92.8Very high43 Ų4355.4 Ų55.420%0.20128%0.282CS..  trans-65.7139.9178.6-172.9169.6-13.400110.9M221 K222 D223 L248M221-Q225 HydrophobicContact CE-CB 4.49Å; M221-Q225 VanDerWaalsContact CE-CD 3.47Å; M221-Q225 HydrophobicContact CE-CG 3.84Å; M221-Q225 VanDerWaalsContact CE-NE2 3.34Å; K222-Q225 WeakPolarHBondContact O-CB 3.3Å; K222-Q225 PolarHBondContact O-N 2.79Å; D223-Q225 PolarHBondContact O-N 3.27Å; D223-Q225 VanDerWaalsContact O-N 3.15Å; Q225-L248 HydrophobicContact CB-CD1 4.45Å; Q225-L248 PolarHBondContact O-N 3.42Å
226K95Very high92.4Very high138 Ų13860.3 Ų60.360%0.631%0.305SS*.EExtended strand (participates in β ladder)trans-101.6128.7-173.8-63178.9-178.3176.40111.3I245 I246 V247K226-I245 HydrophobicContact CB-CG2 4.01Å; K226-I245 HydrophobicContact CD-CG2 3.99Å; K226-I245 HydrophobicContact CG-CG2 4.07Å; K226-I246 CarbonylContact C-O 3.47Å; K226-I246 WeakPolarHBondContact CA-O 3.45Å; K226-V247 HydrophobicContact CG-CG2 4.2Å
227I94.1Very high92Very high30 Ų3057.7 Ų57.715%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-108.1120.2170.6-57.5170.1000107.3V215 M221 F229 I246 L248V215-I227 HydrophobicContact CG1-CD1 3.53Å; M221-I227 HydrophobicContact CE-CD1 3.89Å; M221-I227 HydrophobicContact CE-CG1 3.72Å; M221-I227 HydrophobicContact SD-CD1 4.35Å; I227-F229 HydrophobicContact CG2-CD2 4.38Å; I227-F229 HydrophobicContact CG2-CE2 3.7Å; I227-F229 HydrophobicContact CG2-CZ 4.22Å; I227-I246 HydrophobicContact CB-CB 4.36Å; I227-I246 PolarHBondContact N-O 2.86Å; I227-I246 PolarHBondContact O-N 3.18Å; I227-L248 HydrophobicContact CD1-CD1 4.42Å; I227-L248 HydrophobicContact CD1-CD2 4.06Å; I227-L248 HydrophobicContact CD1-CG 4.37Å
228V94.9Very high91.3Very high60 Ų6060.4 Ų60.436%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-105.4125.7-173.9-173.30000110.3D243 I245V228-D243 HydrophobicContact CG1-CB 3.85Å; V228-I245 HydrophobicContact CG1-CG1 4.49Å; V228-I245 HydrophobicContact CG2-CG1 4.43Å
229F94.1Very high90.9Very high46 Ų4659.6 Ų59.620%0.20232%0.321CS..EExtended strand (participates in β ladder)trans-103.8101170.6-68.4-93.8000108.7L213 V215 I227 E232 D243 I244 I246L213-F229 HydrophobicContact CD1-CG 4.38Å; V215-F229 HydrophobicContact CG2-CE2 4.16Å; V215-F229 HydrophobicContact CG2-CZ 4.06Å; I227-F229 HydrophobicContact CG2-CD2 4.38Å; I227-F229 HydrophobicContact CG2-CE2 3.7Å; I227-F229 HydrophobicContact CG2-CZ 4.22Å; F229-E232 HydrophobicContact CB-CB 4.02Å; F229-E232 HydrophobicContact CB-CG 4.01Å; F229-D243 WeakPolarHBondContact O-CA 3.49Å; F229-I244 HydrophobicContact CB-CB 4.22Å; F229-I244 PolarHBondContact N-O 3.18Å; F229-I244 PolarHBondContact O-N 2.95Å; F229-I246 HydrophobicContact CD2-CD1 3.82Å; F229-I246 HydrophobicContact CD2-CG1 4.08Å; F229-I246 HydrophobicContact CE2-CD1 3.41Å; F229-I246 VanDerWaalsContact CE2-CD1 3.41Å; F229-I246 HydrophobicContact CE2-CG1 4.03Å; F229-I246 HydrophobicContact CZ-CD1 4.36Å
230H92.4Very high90.6Very high139 Ų13960.5 Ų60.564%0.64433%0.327SS*.THydrogen-bonded Turntrans-68.4134.3-174.9-65.7-63000112.5E232 D243H230-E232 PolarHBondContact O-N 3.23Å; H230-E232 VanDerWaalsContact O-N 3.12Å; H230-D243 VanDerWaalsContact CA-OD1 3.3Å; H230-D243 WeakPolarHBondContact CA-OD1 3.41Å; H230-D243 IonicContact CE1-OD2 3.25Å; H230-D243 IonicContact ND1-OD1 2.88Å; H230-D243 IonicContact ND1-OD2 3.95Å; H230-D243 PolarHBondContact ND1-OD2 2.84Å
231G89.4Confident90.6Very high27 Ų2762.3 Ų62.328%0.27834%0.339SS..THydrogen-bonded Turntrans66.59176.600000115.4P241 G242 D243G231-P241 WeakPolarHBondContact O-CB 3.47Å; G231-P241 WeakPolarHBondContact O-CG 3.48Å; G231-G242 CarbonylContact C-O 3.57Å; G231-G242 WeakPolarHBondContact CA-O 3.28Å; G231-D243 PolarHBondContact N-OD1 2.82Å
232E90.6Very high90.5Very high41 Ų4162.1 Ų62.119%0.19234%0.338CS..  trans-88.6-2.4178.4-70.9-66.2163.200113.5K135 K211 F229 H230 G242 I244K135-E232 VanDerWaalsContact CD-O 3.25Å; K135-E232 WeakPolarHBondContact CD-O 3.47Å; K135-E232 IonicContact NZ-OE2 3.53Å; K135-E232 PolarHBondContact NZ-OE2 3.18Å; K211-E232 WeakPolarHBondContact CD-OE2 3.23Å; K211-E232 IonicContact NZ-OE1 2.7Å; K211-E232 PolarHBondContact NZ-OE1 3.14Å; K211-E232 IonicContact NZ-OE2 3.66Å; K211-E232 PolarHBondContact NZ-OE2 2.87Å; F229-E232 HydrophobicContact CB-CB 4.02Å; F229-E232 HydrophobicContact CB-CG 4.01Å; H230-E232 PolarHBondContact O-N 3.23Å; H230-E232 VanDerWaalsContact O-N 3.12Å; E232-G242 PolarHBondContact N-O 2.64Å; E232-I244 HydrophobicContact CB-CB 4.45Å; E232-I244 HydrophobicContact CB-CD1 3.84Å; E232-I244 HydrophobicContact CB-CG1 4.15Å; E232-I244 WeakPolarHBondContact O-CD1 3.43Å
233G90Very high90.5Very high0 Ų057.4 Ų57.40%032%0.318CS..SBendtrans-69.3-174.9176.800000114.1Q235 G242G233-Q235 PolarHBondContact O-N 2.88Å; G233-G242 VanDerWaalsContact CA-O 3.32Å; G233-G242 WeakPolarHBondContact CA-O 3.4Å; G233-G242 PolarHBondContact N-O 2.81Å
234D90.4Very high90.5Very high49 Ų4953.1 Ų53.126%0.26230%0.295SS..  trans-64.3131.7178.9-84-15.3000111.6I112 K135 N136I112-D234 HydrophobicContact CD1-CB 4.28Å; K135-D234 WeakPolarHBondContact CA-OD1 3.36Å; N136-D234 HydrophobicContact CB-CB 4.28Å; N136-D234 PolarHBondContact N-OD1 3.12Å; N136-D234 PolarHBondContact ND2-OD1 2.8Å; N136-D234 PolarHBondContact ND2-OD2 2.97Å
235Q89.1Confident90.6Very high48 Ų4852.9 Ų52.922%0.22429%0.285CS..  trans-93.1134176.3-61.9177.48.500110.7N136 I138 I206 G233 P241N136-Q235 WeakPolarHBondContact O-CB 3.41Å; N136-Q235 PolarHBondContact O-N 2.8Å; I138-Q235 HydrophobicContact CG1-CB 4.02Å; I206-Q235 WeakPolarHBondContact CG2-O 3.38Å; G233-Q235 PolarHBondContact O-N 2.88Å; Q235-P241 HydrophobicContact CG-CB 4.04Å
236E86.8Confident90.6Very high103 Ų10350.8 Ų50.848%0.48128%0.275SS..  trans-124.8141.8171.5-68.9-174.3171.200110.1G238 L239E236-G238 PolarHBondContact O-N 2.81Å; E236-G238 VanDerWaalsContact O-N 3.13Å; E236-L239 HydrophobicContact CB-CB 4.21Å; E236-L239 HydrophobicContact CB-CD1 4.4Å; E236-L239 PolarHBondContact O-N 3Å; E236-L239 VanDerWaalsContact O-N 3.08Å; E236-L239 VanDerWaalsContact O-O 3.12Å
237P84.1Confident90.6Very high55 Ų5545.4 Ų45.436%0.35725%0.254SS..THydrogen-bonded Turntrans-59.3119.2178.7-2332.8000112.1K205 I206K205-P237 HydrophobicContact CB-CG 3.68Å; K205-P237 HydrophobicContact CD-CG 4.17Å; I206-P237 HydrophobicContact CG2-CG 4.38Å
238G80.5Confident90.7Very high61 Ų6144 Ų4463%0.62925%0.247SC*.THydrogen-bonded Turntrans86.86.2179.500000115E236E236-G238 PolarHBondContact O-N 2.81Å; E236-G238 VanDerWaalsContact O-N 3.13Å
239L85Confident90.7Very high63 Ų6344.5 Ų44.533%0.3325%0.247SC..SBendtrans-119.3144.4169.2-7980.6000109.7R107 E236R107-L239 HydrophobicContact CB-CG 4.17Å; R107-L239 CarbonylContact O-C 3.48Å; R107-L239 WeakPolarHBondContact O-CA 3.32Å; R107-L239 WeakPolarHBondContact O-CB 3.44Å; R107-L239 WeakPolarHBondContact O-CG 3.37Å; E236-L239 HydrophobicContact CB-CB 4.21Å; E236-L239 HydrophobicContact CB-CD1 4.4Å; E236-L239 PolarHBondContact O-N 3Å; E236-L239 VanDerWaalsContact O-N 3.08Å; E236-L239 VanDerWaalsContact O-O 3.12Å
240E87.2Confident90.7Very high121 Ų12144.3 Ų44.357%0.56525%0.247SC*.BIsolated β-bridgetrans-71.8142.3167.9-67.6-178.116800109.5R107 K108 G109R107-E240 PolarHBondContact O-N 2.81Å; K108-E240 CarbonylContact C-O 3.58Å; K108-E240 WeakPolarHBondContact CA-O 3.44Å; G109-E240 PolarHBondContact N-O 2.91Å
241P90.4Very high90.9Very high39 Ų3941.9 Ų41.925%0.25324%0.236SC..  trans-63.3144.8179.622.7-30.5000112.4K108 G231 Q235K108-P241 VanDerWaalsContact CE-O 3.26Å; K108-P241 WeakPolarHBondContact CE-O 3.3Å; K108-P241 WeakPolarHBondContact CG-O 3.43Å; G231-P241 WeakPolarHBondContact O-CB 3.47Å; G231-P241 WeakPolarHBondContact O-CG 3.48Å; Q235-P241 HydrophobicContact CG-CB 4.04Å
242G91.4Very high91Very high0 Ų050 Ų500%027%0.266CS..  trans-68178.8167.400000112.4G109 G231 E232 G233G109-G242 WeakPolarHBondContact O-CA 3.27Å; G231-G242 CarbonylContact C-O 3.57Å; G231-G242 WeakPolarHBondContact CA-O 3.28Å; E232-G242 PolarHBondContact N-O 2.64Å; G233-G242 VanDerWaalsContact CA-O 3.32Å; G233-G242 WeakPolarHBondContact CA-O 3.4Å; G233-G242 PolarHBondContact N-O 2.81Å
243D93.8Very high91.2Very high15 Ų1550.6 Ų50.68%0.0827%0.269CS..  trans-99.3149.8174.4-57.7-24.1000110.7K108 N111 I112 V228 F229 H230 G231K108-D243 WeakPolarHBondContact CE-OD1 3.47Å; K108-D243 IonicContact NZ-OD1 3.39Å; K108-D243 PolarHBondContact NZ-OD1 2.7Å; K108-D243 IonicContact NZ-OD2 3.17Å; K108-D243 PolarHBondContact NZ-OD2 3.46Å; N111-D243 CarbonylContact C-O 3.54Å; N111-D243 WeakPolarHBondContact CA-O 3.39Å; N111-D243 WeakPolarHBondContact CB-O 3.36Å; N111-D243 PolarHBondContact OD1-N 3.17Å; I112-D243 PolarHBondContact N-O 2.83Å; V228-D243 HydrophobicContact CG1-CB 3.85Å; F229-D243 WeakPolarHBondContact O-CA 3.49Å; H230-D243 VanDerWaalsContact CA-OD1 3.3Å; H230-D243 WeakPolarHBondContact CA-OD1 3.41Å; H230-D243 IonicContact CE1-OD2 3.25Å; H230-D243 IonicContact ND1-OD1 2.88Å; H230-D243 IonicContact ND1-OD2 3.95Å; H230-D243 PolarHBondContact ND1-OD2 2.84Å; G231-D243 PolarHBondContact N-OD1 2.82Å
244I93.6Very high91.2Very high2 Ų255.5 Ų55.51%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-92.1121.9165-67.2174.2000107.9I112 V133 L213 F229 E232 I246I112-I244 HydrophobicContact CB-CG1 4.43Å; I112-I244 CarbonylContact O-C 3.36Å; I112-I244 WeakPolarHBondContact O-CA 3.34Å; V133-I244 HydrophobicContact CB-CD1 4.39Å; V133-I244 HydrophobicContact CG1-CD1 3.84Å; V133-I244 HydrophobicContact CG2-CD1 4.46Å; L213-I244 HydrophobicContact CD1-CD1 3.86Å; L213-I244 HydrophobicContact CD1-CG2 4.41Å; F229-I244 HydrophobicContact CB-CB 4.22Å; F229-I244 PolarHBondContact N-O 3.18Å; F229-I244 PolarHBondContact O-N 2.95Å; E232-I244 HydrophobicContact CB-CB 4.45Å; E232-I244 HydrophobicContact CB-CD1 3.84Å; E232-I244 HydrophobicContact CB-CG1 4.15Å; E232-I244 WeakPolarHBondContact O-CD1 3.43Å; I244-I246 HydrophobicContact CG2-CG1 3.99Å
245I94.9Very high91.2Very high30 Ų3058.3 Ų58.315%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-107.2114.9178.1-56.8171.5000107.4N111 I112 V113 H114 K226 V228 V247N111-I245 HydrophobicContact CB-CD1 4.07Å; I112-I245 PolarHBondContact O-N 3.48Å; V113-I245 CarbonylContact C-O 3.56Å; V113-I245 VanDerWaalsContact CA-O 3.28Å; V113-I245 WeakPolarHBondContact CA-O 3.33Å; V113-I245 HydrophobicContact CG2-CB 4.39Å; H114-I245 PolarHBondContact N-O 2.69Å; K226-I245 HydrophobicContact CB-CG2 4.01Å; K226-I245 HydrophobicContact CD-CG2 3.99Å; K226-I245 HydrophobicContact CG-CG2 4.07Å; V228-I245 HydrophobicContact CG1-CG1 4.49Å; V228-I245 HydrophobicContact CG2-CG1 4.43Å; I245-V247 HydrophobicContact CG2-CG2 4.49Å
246I95Very high91.4Very high0 Ų056.5 Ų56.50%032%0.315CS..EExtended strand (participates in β ladder)trans-97.2120.2176-57.1-171.2000108.3H114 I116 L131 V215 K226 I227 F229 I244H114-I246 CarbonylContact O-C 3.52Å; H114-I246 VanDerWaalsContact O-CA 3.27Å; H114-I246 WeakPolarHBondContact O-CA 3.26Å; I116-I246 HydrophobicContact CB-CG2 4.2Å; I116-I246 HydrophobicContact CD1-CD1 4.17Å; I116-I246 HydrophobicContact CD1-CG2 3.51Å; I116-I246 HydrophobicContact CG1-CG2 3.68Å; L131-I246 HydrophobicContact CD2-CD1 3.83Å; L131-I246 HydrophobicContact CD2-CG1 4.48Å; V215-I246 HydrophobicContact CG1-CD1 4.34Å; V215-I246 HydrophobicContact CG1-CG2 4.4Å; V215-I246 HydrophobicContact CG2-CD1 3.36Å; K226-I246 CarbonylContact C-O 3.47Å; K226-I246 WeakPolarHBondContact CA-O 3.45Å; I227-I246 HydrophobicContact CB-CB 4.36Å; I227-I246 PolarHBondContact N-O 2.86Å; I227-I246 PolarHBondContact O-N 3.18Å; F229-I246 HydrophobicContact CD2-CD1 3.82Å; F229-I246 HydrophobicContact CD2-CG1 4.08Å; F229-I246 HydrophobicContact CE2-CD1 3.41Å; F229-I246 VanDerWaalsContact CE2-CD1 3.41Å; F229-I246 HydrophobicContact CE2-CG1 4.03Å; F229-I246 HydrophobicContact CZ-CD1 4.36Å; I244-I246 HydrophobicContact CG2-CG1 3.99Å
247V95.8Very high91.8Very high24 Ų2456.1 Ų56.115%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-98.8125175.7-175.30000107.6V113 H114 Q115 I116 K226 I245V113-V247 HydrophobicContact CG1-CG2 3.66Å; H114-V247 PolarHBondContact O-N 3.38Å; Q115-V247 WeakPolarHBondContact CA-O 3.47Å; Q115-V247 HydrophobicContact CG-CB 4.25Å; I116-V247 PolarHBondContact N-O 3.29Å; K226-V247 HydrophobicContact CG-CG2 4.2Å; I245-V247 HydrophobicContact CG2-CG2 4.49Å
248L95.4Very high92.2Very high2 Ų255 Ų551%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-73.7131.9172.2-59.9-178.6000109.5V118 L123 V217 M221 G224 Q225 I227V118-L248 HydrophobicContact CG1-CD2 4.05Å; V118-L248 HydrophobicContact CG2-CB 4.26Å; L123-L248 HydrophobicContact CD2-CD1 4.36Å; V217-L248 HydrophobicContact CG1-CD1 4.28Å; V217-L248 HydrophobicContact CG2-CD2 4.15Å; M221-L248 HydrophobicContact CB-CD1 3.93Å; M221-L248 HydrophobicContact CE-CD1 3.86Å; M221-L248 HydrophobicContact SD-CD1 3.85Å; G224-L248 VanDerWaalsContact CA-O 3.27Å; G224-L248 WeakPolarHBondContact CA-O 3.48Å; G224-L248 PolarHBondContact N-O 3.33Å; Q225-L248 HydrophobicContact CB-CD1 4.45Å; Q225-L248 PolarHBondContact O-N 3.42Å; I227-L248 HydrophobicContact CD1-CD1 4.42Å; I227-L248 HydrophobicContact CD1-CD2 4.06Å; I227-L248 HydrophobicContact CD1-CG 4.37Å
249D95.3Very high92.8Very high69 Ų6961 Ų6137%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-120.2107.1177.5-178.330.7000108.8I116 T117 V118 Q251I116-D249 PolarHBondContact O-N 3.46Å; T117-D249 CarbonylContact C-O 3.53Å; T117-D249 VanDerWaalsContact CA-O 3.3Å; T117-D249 WeakPolarHBondContact CA-O 3.33Å; V118-D249 WeakPolarHBondContact CG2-O 3.2Å; V118-D249 PolarHBondContact N-O 3.03Å; D249-Q251 PolarHBondContact O-N 3.32Å
250Q94.5Very high93.1Very high42 Ų4260.2 Ų60.220%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-75.7121.2-175.6-174.8-172.7-64.700110.8L123 D223 R258L123-Q250 HydrophobicContact CD1-CB 4.15Å; L123-Q250 HydrophobicContact CD1-CG 3.74Å; D223-Q250 HydrophobicContact CB-CB 3.85Å; D223-Q250 WeakPolarHBondContact OD1-CB 3.41Å; D223-Q250 PolarHBondContact OD1-N 3.38Å; Q250-R258 VanDerWaalsContact OE1-CD 3.26Å
251Q94.9Very high93.3Very high89 Ų8958.2 Ų58.242%0.41631%0.31SS..PPolyproline II helixtrans-68.8140.7171.4-68.2-172.7-24.500111.3V118 D249V118-Q251 PolarHBondContact O-N 3.39Å; D249-Q251 PolarHBondContact O-N 3.32Å
252E92.9Very high93.5Very high196 Ų19657.9 Ų57.992%0.91631%0.306SS*.PPolyproline II helixtrans-63.9134.9171.2-64-176.6173.200110.1
253H93.6Very high93.6Very high54 Ų5458 Ų5825%0.2531%0.307CS..  trans-108139.6179.2-175.7-81.6000109.8L120 L255 F256L120-H253 HydrophobicContact CB-CB 4.35Å; L120-H253 HydrophobicContact CD2-CB 4.24Å; H253-L255 VanDerWaalsContact C-N 3.32Å; H253-L255 PolarHBondContact ND1-N 2.75Å; H253-L255 VanDerWaalsContact ND1-N 3.12Å; H253-L255 PolarHBondContact O-N 3.37Å; H253-F256 WeakPolarHBondContact CB-O 3.21Å; H253-F256 AromaticContact CE1-CD2 3.45Å; H253-F256 VanDerWaalsContact CE1-CD2 3.45Å; H253-F256 WeakPolarHBondContact CE1-CD2 3.47Å; H253-F256 AromaticContact ND1-CD2 3.52Å; H253-F256 PolarHBondContact ND1-N 2.63Å
254A90.1Very high93.7Very high103 Ų10359.9 Ų59.985%0.85132%0.317SS*.SBendtrans-62-35.9-172.600000114
255L90.1Very high93.7Very high108 Ų10860.3 Ų60.357%0.56532%0.319SS*.SBendtrans-106.2-20.8-174.5-59.4175.2000114.5H253 M265H253-L255 VanDerWaalsContact C-N 3.32Å; H253-L255 PolarHBondContact ND1-N 2.75Å; H253-L255 VanDerWaalsContact ND1-N 3.12Å; H253-L255 PolarHBondContact O-N 3.37Å; L255-M265 WeakPolarHBondContact O-CA 3.42Å; L255-M265 VanDerWaalsContact O-CB 3.25Å; L255-M265 WeakPolarHBondContact O-CB 3.44Å
256F94.4Very high93.7Very high10 Ų1063.6 Ų63.64%0.04435%0.345CS..  trans-129.9129.3-166.2-66.9-77000109.7L120 H253 L263 L264 M265 V282 Q283 L285 L325L120-F256 HydrophobicContact CD2-CB 3.62Å; H253-F256 WeakPolarHBondContact CB-O 3.21Å; H253-F256 AromaticContact CE1-CD2 3.45Å; H253-F256 VanDerWaalsContact CE1-CD2 3.45Å; H253-F256 WeakPolarHBondContact CE1-CD2 3.47Å; H253-F256 AromaticContact ND1-CD2 3.52Å; H253-F256 PolarHBondContact ND1-N 2.63Å; F256-L263 HydrophobicContact CD1-CB 4.46Å; F256-L263 HydrophobicContact CD1-CD1 4.48Å; F256-L264 CarbonylContact C-O 3.54Å; F256-L264 WeakPolarHBondContact CA-O 3.32Å; F256-M265 HydrophobicContact CD1-CB 4.32Å; F256-M265 HydrophobicContact CD1-CE 3.75Å; F256-M265 HydrophobicContact CE1-CE 3.01Å; F256-M265 HydrophobicContact CZ-CE 3.52Å; F256-V282 HydrophobicContact CZ-CG1 4.28Å; F256-Q283 WeakPolarHBondContact CE2-O 3.31Å; F256-Q283 WeakPolarHBondContact CZ-O 3.27Å; F256-L285 HydrophobicContact CD2-CD2 3.98Å; F256-L285 HydrophobicContact CD2-CG 4.44Å; F256-L285 HydrophobicContact CE2-CD2 4.33Å; F256-L325 HydrophobicContact CD1-CD1 4.11Å; F256-L325 HydrophobicContact CE1-CD1 3.88Å
257T94.1Very high93.6Very high95 Ų9564.5 Ų64.558%0.58335%0.349SS*.EExtended strand (participates in β ladder)trans-116.2119.5173.2-50.60000108.6L264T257-L264 PolarHBondContact N-O 2.68Å; T257-L264 WeakPolarHBondContact O-CD1 3.44Å; T257-L264 PolarHBondContact O-N 2.74Å
258R94.1Very high93.4Very high33 Ų3370.3 Ų70.313%0.12537%0.374CS..EExtended strand (participates in β ladder)trans-77.5129.5178.4-176.1-177-179174.94.4110.9L120 G220 M221 Q250 G260 L263 M313L120-R258 HydrophobicContact CD1-CB 3.89Å; L120-R258 HydrophobicContact CD1-CG 4.45Å; G220-R258 PolarHBondContact O-NH2 2.85Å; M221-R258 VanDerWaalsContact O-CZ 3.28Å; M221-R258 PolarHBondContact O-NH1 2.67Å; M221-R258 PolarHBondContact O-NH2 3.29Å; Q250-R258 VanDerWaalsContact OE1-CD 3.26Å; R258-G260 PolarHBondContact NE-O 3.27Å; R258-L263 HydrophobicContact CB-CD2 4.27Å; R258-M313 HydrophobicContact CG-CG 3.92Å
259R93.1Very high93.3Very high186 Ų18670.3 Ų70.370%0.70237%0.374SS*.EExtended strand (participates in β ladder)trans-126.291.9168.9-170.8-179.9-179.2-171.80.1109.8E261 D262 L264R259-E261 PolarHBondContact O-N 3.47Å; R259-D262 PolarHBondContact N-O 3.42Å; R259-D262 PolarHBondContact O-N 3.47Å; R259-D262 VanDerWaalsContact O-N 3.12Å; R259-L264 HydrophobicContact CB-CD1 3.26Å; R259-L264 HydrophobicContact CG-CD1 4.31Å
260G90.5Very high93.1Very high46 Ų4672.9 Ų72.947%0.47438%0.384SS..THydrogen-bonded Turntrans67.7-111.4-174.600000111.2R258R258-G260 PolarHBondContact NE-O 3.27Å
261E90.9Very high92.9Very high79 Ų7973.4 Ų73.437%0.36939%0.388SS..THydrogen-bonded Turntrans-97.3-15.9177.5-68161.2-169.500112R259 M313 M315R259-E261 PolarHBondContact O-N 3.47Å; E261-M313 WeakPolarHBondContact O-CB 3.34Å; E261-M313 PolarHBondContact O-N 2.9Å; E261-M315 HydrophobicContact CG-CG 4.23Å; E261-M315 WeakPolarHBondContact OE2-CE 3.2Å
262D94.3Very high92.6Very high32 Ų3273.8 Ų73.817%0.17140%0.397CS..EExtended strand (participates in β ladder)trans-88.9147.1-179.3-63.9-19.9000110.5R259 R324 I326R259-D262 PolarHBondContact N-O 3.42Å; R259-D262 PolarHBondContact O-N 3.47Å; R259-D262 VanDerWaalsContact O-N 3.12Å; D262-R324 VanDerWaalsContact CA-O 3.28Å; D262-R324 WeakPolarHBondContact CA-O 3.41Å; D262-R324 HydrophobicContact CB-CG 4.26Å; D262-R324 WeakPolarHBondContact OD1-CG 3.27Å; D262-R324 PolarHBondContact OD1-N 2.86Å; D262-R324 VanDerWaalsContact OD1-N 3.13Å; D262-R324 IonicContact OD1-NE 3.03Å; D262-R324 IonicContact OD2-CZ 3.36Å; D262-R324 IonicContact OD2-NE 2.78Å; D262-R324 PolarHBondContact OD2-NE 3.41Å; D262-R324 IonicContact OD2-NH2 3.8Å; D262-R324 PolarHBondContact OD2-NH2 3.43Å; D262-I326 HydrophobicContact CB-CD1 4.07Å
263L94.5Very high92.5Very high3 Ų366.3 Ų66.32%0.01636%0.361CS..EExtended strand (participates in β ladder)trans-104.2133.8170.3-71176.1000108.8L120 F256 R258 L285 M313 R324 L325 I326L120-L263 HydrophobicContact CD1-CD2 4.49Å; L120-L263 HydrophobicContact CD2-CD2 3.91Å; F256-L263 HydrophobicContact CD1-CB 4.46Å; F256-L263 HydrophobicContact CD1-CD1 4.48Å; R258-L263 HydrophobicContact CB-CD2 4.27Å; L263-L285 HydrophobicContact CD1-CD1 3.68Å; L263-L285 HydrophobicContact CD2-CD1 4.38Å; L263-M313 HydrophobicContact CD1-CG 4.48Å; L263-M313 HydrophobicContact CD1-SD 4.31Å; L263-M313 HydrophobicContact CD2-CG 3.65Å; L263-M313 HydrophobicContact CD2-SD 3.75Å; L263-M313 HydrophobicContact CG-CG 3.94Å; L263-M313 HydrophobicContact CG-SD 4.27Å; L263-R324 PolarHBondContact N-O 2.95Å; L263-L325 HydrophobicContact CB-CD1 3.71Å; L263-L325 CarbonylContact O-C 3.6Å; L263-L325 WeakPolarHBondContact O-CA 3.31Å; L263-I326 PolarHBondContact O-N 2.96Å
264L95.3Very high92.3Very high54 Ų5463.8 Ų63.828%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-105.8139.4171.5-67.788000108.9F256 T257 R259 I326F256-L264 CarbonylContact C-O 3.54Å; F256-L264 WeakPolarHBondContact CA-O 3.32Å; T257-L264 PolarHBondContact N-O 2.68Å; T257-L264 WeakPolarHBondContact O-CD1 3.44Å; T257-L264 PolarHBondContact O-N 2.74Å; R259-L264 HydrophobicContact CB-CD1 3.26Å; R259-L264 HydrophobicContact CG-CD1 4.31Å; L264-I326 CarbonylContact C-O 3.15Å; L264-I326 VanDerWaalsContact CA-O 3.3Å; L264-I326 WeakPolarHBondContact CA-O 3.47Å; L264-I326 HydrophobicContact CG-CB 4.39Å
265M94.8Very high92.2Very high12 Ų1262.3 Ų62.36%0.05933%0.328CS..EExtended strand (participates in β ladder)trans-136.1152.9166.463.5167.545.400110.4L255 F256 M267 V282 L325 I326 I327 H328L255-M265 WeakPolarHBondContact O-CA 3.42Å; L255-M265 VanDerWaalsContact O-CB 3.25Å; L255-M265 WeakPolarHBondContact O-CB 3.44Å; F256-M265 HydrophobicContact CD1-CB 4.32Å; F256-M265 HydrophobicContact CD1-CE 3.75Å; F256-M265 HydrophobicContact CE1-CE 3.01Å; F256-M265 HydrophobicContact CZ-CE 3.52Å; M265-M267 HydrophobicContact SD-CE 4.24Å; M265-V282 HydrophobicContact CE-CG1 3.58Å; M265-V282 HydrophobicContact SD-CG1 4.39Å; M265-L325 HydrophobicContact CE-CD1 3.89Å; M265-L325 HydrophobicContact CE-CD2 3.92Å; M265-L325 HydrophobicContact CE-CG 4.41Å; M265-L325 HydrophobicContact CG-CD1 4.1Å; M265-L325 HydrophobicContact SD-CD1 4.42Å; M265-L325 HydrophobicContact SD-CD2 4.24Å; M265-I326 PolarHBondContact N-O 3.35Å; M265-I327 HydrophobicContact CG-CB 4.09Å; M265-I327 HydrophobicContact CG-CG1 3.76Å; M265-I327 HydrophobicContact CG-CG2 3.96Å; M265-I327 WeakPolarHBondContact O-CA 3.23Å; M265-I327 HydrophobicContact SD-CB 4.47Å; M265-I327 HydrophobicContact SD-CD1 3.95Å; M265-I327 HydrophobicContact SD-CG1 3.8Å; M265-I327 HydrophobicContact SD-CG2 4.12Å; M265-H328 PolarHBondContact O-N 3.35Å
266S93.4Very high92Very high99 Ų9960.9 Ų60.969%0.69233%0.326SS*.EExtended strand (participates in β ladder)trans-101.9128.5169.9-62.30000108.7H328S266-H328 WeakPolarHBondContact CA-O 3.41Å
267M92.8Very high91.7Very high19 Ų1961.2 Ų61.29%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-120.8125.7175.6-175.1173.1-65.600109.4M265 L269 F278 R280 V282 I292 I327 H328 F329 S330M265-M267 HydrophobicContact SD-CE 4.24Å; M267-L269 HydrophobicContact CG-CD2 4.21Å; M267-L269 HydrophobicContact SD-CD2 4.12Å; M267-F278 HydrophobicContact SD-CE2 3.88Å; M267-F278 HydrophobicContact SD-CZ 4.09Å; M267-R280 HydrophobicContact SD-CB 4.38Å; M267-V282 HydrophobicContact CE-CG2 3.55Å; M267-I292 HydrophobicContact CE-CD1 3.81Å; M267-I327 HydrophobicContact CB-CG2 3.72Å; M267-I327 HydrophobicContact CE-CG2 4.45Å; M267-H328 PolarHBondContact N-O 3.15Å; M267-F329 HydrophobicContact CB-CD1 4.09Å; M267-F329 HydrophobicContact CB-CE1 4.18Å; M267-F329 HydrophobicContact CG-CD1 4.41Å; M267-F329 HydrophobicContact CG-CE1 4.34Å; M267-F329 WeakPolarHBondContact O-CA 3.4Å; M267-F329 HydrophobicContact SD-CD1 4.48Å; M267-F329 HydrophobicContact SD-CE1 3.86Å; M267-S330 PolarHBondContact O-N 3.28Å
268E92.4Very high91.6Very high145 Ų14557.3 Ų57.368%0.67831%0.307SS*.EExtended strand (participates in β ladder)trans-88.4129.9172.7-64.5-178.9173.900109.5S330 V332E268-S330 CarbonylContact C-O 3.57Å; E268-S330 WeakPolarHBondContact CA-O 3.25Å; E268-V332 HydrophobicContact CB-CG2 4.31Å
269L92.6Very high91.5Very high2 Ų263.3 Ų63.31%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-119.3143.4176.5-64.6179.4000109.7M267 E273 F278 I300 F329 S330 V331 V332M267-L269 HydrophobicContact CG-CD2 4.21Å; M267-L269 HydrophobicContact SD-CD2 4.12Å; L269-E273 HydrophobicContact CB-CB 4.42Å; L269-E273 HydrophobicContact CD2-CB 4.46Å; L269-F278 HydrophobicContact CD1-CD1 3.96Å; L269-F278 HydrophobicContact CD1-CE1 3.57Å; L269-F278 HydrophobicContact CD1-CZ 4.24Å; L269-F278 HydrophobicContact CD2-CD1 3.79Å; L269-F278 HydrophobicContact CD2-CD2 4.11Å; L269-F278 HydrophobicContact CD2-CE1 3.77Å; L269-F278 HydrophobicContact CD2-CE2 4.11Å; L269-F278 HydrophobicContact CD2-CG 3.97Å; L269-F278 HydrophobicContact CD2-CZ 3.95Å; L269-F278 HydrophobicContact CG-CE1 4.35Å; L269-I300 HydrophobicContact CD1-CB 4.49Å; L269-I300 HydrophobicContact CD1-CD1 3.95Å; L269-I300 HydrophobicContact CD1-CG2 4.15Å; L269-F329 HydrophobicContact CD1-CB 4.37Å; L269-F329 HydrophobicContact CD1-CD1 3.37Å; L269-F329 HydrophobicContact CD1-CE1 3.91Å; L269-F329 HydrophobicContact CD1-CG 4.1Å; L269-F329 HydrophobicContact CG-CD1 3.84Å; L269-F329 HydrophobicContact CG-CE1 4.43Å; L269-S330 PolarHBondContact N-O 2.96Å; L269-V331 CarbonylContact O-C 3.51Å; L269-V331 WeakPolarHBondContact O-CA 3.16Å; L269-V332 PolarHBondContact O-N 2.88Å
270Q92.4Very high91.5Very high124 Ų12460.2 Ų60.258%0.57932%0.322SS*.EExtended strand (participates in β ladder)trans-73.2153.2166.6-62.3-170.7-28.400110.4V272 E273 A274Q270-V272 PolarHBondContact O-N 2.9Å; Q270-V272 VanDerWaalsContact O-N 3.15Å; Q270-E273 HydrophobicContact CB-CB 4.43Å; Q270-E273 HydrophobicContact CB-CG 4.19Å; Q270-E273 PolarHBondContact N-OE2 2.84Å; Q270-E273 WeakPolarHBondContact O-CA 3.1Å; Q270-E273 WeakPolarHBondContact O-CB 3.44Å; Q270-E273 PolarHBondContact O-N 3.44Å; Q270-A274 PolarHBondContact O-N 3.1Å
271L89.1Confident91.6Very high52 Ų5262 Ų6227%0.27233%0.325SS..Hα-helixtrans-52.6-39.2177.3-176.862.8000112.8A274 L275 V331 V332 F333L271-A274 PolarHBondContact O-N 3.46Å; L271-L275 HydrophobicContact CD1-CD1 4.2Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.14Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.28Å; L271-L275 PolarHBondContact O-N 2.79Å; L271-L275 VanDerWaalsContact O-N 3.16Å; L271-V331 HydrophobicContact CB-CG1 4.36Å; L271-V331 HydrophobicContact CD1-CG1 4.12Å; L271-V332 PolarHBondContact N-O 3.25Å; L271-F333 HydrophobicContact CD1-CD1 4.41Å; L271-F333 HydrophobicContact CD1-CE1 3.92Å; L271-F333 HydrophobicContact CD1-CZ 4.32Å; L271-F333 HydrophobicContact CD2-CD1 4.01Å; L271-F333 HydrophobicContact CD2-CE1 4.11Å
272V89.3Confident91.6Very high98 Ų9859.2 Ų59.259%0.59431%0.313SS*.Hα-helixtrans-66.2-40.3177-177.80000111.5Q270 A274 L275 C276Q270-V272 PolarHBondContact O-N 2.9Å; Q270-V272 VanDerWaalsContact O-N 3.15Å; V272-A274 VanDerWaalsContact C-N 3.33Å; V272-A274 PolarHBondContact O-N 2.94Å; V272-L275 PolarHBondContact O-N 2.88Å; V272-C276 HydrophobicContact CG1-CB 4.37Å; V272-C276 VanDerWaalsContact O-CB 3.24Å; V272-C276 WeakPolarHBondContact O-CB 3.48Å; V272-C276 PolarHBondContact O-N 2.73Å
273E90.4Very high91.5Very high38 Ų3864.6 Ų64.618%0.17834%0.338CS..Hα-helixtrans-66.3-35.8177.3-70.1177.3145.700111.7L269 Q270 G277 F278 R280L269-E273 HydrophobicContact CB-CB 4.42Å; L269-E273 HydrophobicContact CD2-CB 4.46Å; Q270-E273 HydrophobicContact CB-CB 4.43Å; Q270-E273 HydrophobicContact CB-CG 4.19Å; Q270-E273 PolarHBondContact N-OE2 2.84Å; Q270-E273 WeakPolarHBondContact O-CA 3.1Å; Q270-E273 WeakPolarHBondContact O-CB 3.44Å; Q270-E273 PolarHBondContact O-N 3.44Å; E273-G277 CarbonylContact O-C 3.48Å; E273-G277 VanDerWaalsContact O-C 3.3Å; E273-G277 WeakPolarHBondContact O-CA 2.85Å; E273-G277 PolarHBondContact O-N 2.7Å; E273-F278 HydrophobicContact CB-CB 3.95Å; E273-F278 HydrophobicContact CG-CB 4.19Å; E273-R280 IonicContact OE1-NE 3.66Å; E273-R280 IonicContact OE1-NH2 3.82Å
274A89.9Confident91.2Very high2 Ų265.3 Ų65.32%0.01734%0.342CS..Hα-helixtrans-70.7-28.4177.700000113.5Q270 L271 V272 I300 V331Q270-A274 PolarHBondContact O-N 3.1Å; L271-A274 PolarHBondContact O-N 3.46Å; V272-A274 VanDerWaalsContact C-N 3.33Å; V272-A274 PolarHBondContact O-N 2.94Å; A274-I300 PolarHBondContact O-N 2.95Å; A274-V331 HydrophobicContact CB-CG1 4.1Å; A274-V331 HydrophobicContact CB-CG2 3.89Å
275L87.8Confident91Very high72 Ų7263.1 Ų63.138%0.37733%0.331SS..Hα-helixtrans-94.4-45.8180-64.1176000112.9L271 V272 L299L271-L275 HydrophobicContact CD1-CD1 4.2Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.14Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.28Å; L271-L275 PolarHBondContact O-N 2.79Å; L271-L275 VanDerWaalsContact O-N 3.16Å; V272-L275 PolarHBondContact O-N 2.88Å; L275-L299 HydrophobicContact CD2-CD2 3.39Å
276C85.5Confident90.6Very high77 Ų7764.5 Ų64.552%0.5234%0.338SS..Hα-helixtrans-93.8-0.2-172.7-610000113.3V272 P296V272-C276 HydrophobicContact CG1-CB 4.37Å; V272-C276 VanDerWaalsContact O-CB 3.24Å; V272-C276 WeakPolarHBondContact O-CB 3.48Å; V272-C276 PolarHBondContact O-N 2.73Å; C276-P296 VanDerWaalsContact O-CA 3.29Å; C276-P296 WeakPolarHBondContact O-CA 3.49Å; C276-P296 VanDerWaalsContact O-CB 3.3Å; C276-P296 WeakPolarHBondContact O-CB 3.47Å; C276-P296 WeakPolarHBondContact O-CG 3.43Å
277G89.2Confident90.3Very high17 Ų1765.1 Ų65.118%0.17534%0.343CS..  trans80.9163.6-173.900000112.7E273E273-G277 CarbonylContact O-C 3.48Å; E273-G277 VanDerWaalsContact O-C 3.3Å; E273-G277 WeakPolarHBondContact O-CA 2.85Å; E273-G277 PolarHBondContact O-N 2.7Å
278F91.9Very high90.2Very high13 Ų1369.6 Ų69.66%0.05736%0.359CS..  trans-147.9164-176.971.5-88.6000111.8M267 L269 E273 R280 I292 T293 S294 I300 F329M267-F278 HydrophobicContact SD-CE2 3.88Å; M267-F278 HydrophobicContact SD-CZ 4.09Å; L269-F278 HydrophobicContact CD1-CD1 3.96Å; L269-F278 HydrophobicContact CD1-CE1 3.57Å; L269-F278 HydrophobicContact CD1-CZ 4.24Å; L269-F278 HydrophobicContact CD2-CD1 3.79Å; L269-F278 HydrophobicContact CD2-CD2 4.11Å; L269-F278 HydrophobicContact CD2-CE1 3.77Å; L269-F278 HydrophobicContact CD2-CE2 4.11Å; L269-F278 HydrophobicContact CD2-CG 3.97Å; L269-F278 HydrophobicContact CD2-CZ 3.95Å; L269-F278 HydrophobicContact CG-CE1 4.35Å; E273-F278 HydrophobicContact CB-CB 3.95Å; E273-F278 HydrophobicContact CG-CB 4.19Å; F278-R280 HydrophobicContact CD2-CB 3.85Å; F278-R280 HydrophobicContact CD2-CG 3.72Å; F278-R280 HydrophobicContact CE2-CB 3.93Å; F278-R280 HydrophobicContact CE2-CG 4.16Å; F278-I292 HydrophobicContact CE2-CB 4.48Å; F278-I292 HydrophobicContact CE2-CG2 3.9Å; F278-I292 HydrophobicContact CZ-CG2 3.97Å; F278-T293 WeakPolarHBondContact O-CA 3.39Å; F278-S294 PolarHBondContact O-N 3.26Å; F278-I300 HydrophobicContact CD1-CD1 4.33Å; F278-I300 HydrophobicContact CE1-CD1 3.55Å; F278-I300 HydrophobicContact CZ-CD1 4.49Å; F278-F329 HydrophobicContact CE1-CE1 4.2Å; F278-F329 AromaticContact CZ-CE1 3.75Å; F278-F329 HydrophobicContact CZ-CE1 3.75Å; F278-F329 HydrophobicContact CZ-CZ 4.26Å
279K92.3Very high90.1Very high159 Ų15967.1 Ų67.169%0.69135%0.354SS*.EExtended strand (participates in β ladder)trans-132.2110.5168.8-58.5-174-179.3176.20108L291 I292 T293K279-L291 HydrophobicContact CB-CD1 4.29Å; K279-I292 CarbonylContact C-O 3.3Å; K279-I292 WeakPolarHBondContact CA-O 3.36Å; K279-T293 HydrophobicContact CB-CG2 4.27Å; K279-T293 HydrophobicContact CD-CG2 4.31Å; K279-T293 HydrophobicContact CG-CG2 3.86Å
280R91.6Very high90.1Very high122 Ų12268.8 Ų68.846%0.4636%0.362SS..EExtended strand (participates in β ladder)trans-120.2122.4-178.9-85.1-76178.2169.30.3110.7M267 E273 F278 I292M267-R280 HydrophobicContact SD-CB 4.38Å; E273-R280 IonicContact OE1-NE 3.66Å; E273-R280 IonicContact OE1-NH2 3.82Å; F278-R280 HydrophobicContact CD2-CB 3.85Å; F278-R280 HydrophobicContact CD2-CG 3.72Å; F278-R280 HydrophobicContact CE2-CB 3.93Å; F278-R280 HydrophobicContact CE2-CG 4.16Å; R280-I292 PolarHBondContact N-O 2.7Å; R280-I292 PolarHBondContact O-N 3.05Å
281P93.1Very high90.1Very high82 Ų8267.7 Ų67.753%0.53236%0.36SS..EExtended strand (participates in β ladder)trans-75.9129.7169.930.5-31.2000109.5T289 L291P281-T289 HydrophobicContact CB-CG2 3.54Å; P281-L291 HydrophobicContact CB-CD1 4.4Å
282V91.8Very high90.2Very high21 Ų2166 Ų6613%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-121.9132.4174.4175.90000109.2F256 M265 M267 L290 I292F256-V282 HydrophobicContact CZ-CG1 4.28Å; M265-V282 HydrophobicContact CE-CG1 3.58Å; M265-V282 HydrophobicContact SD-CG1 4.39Å; M267-V282 HydrophobicContact CE-CG2 3.55Å; V282-L290 PolarHBondContact N-O 3.21Å; V282-L290 PolarHBondContact O-N 2.97Å; V282-I292 HydrophobicContact CB-CD1 4.03Å; V282-I292 HydrophobicContact CG2-CD1 3.61Å
283Q90.6Very high90.3Very high146 Ų14665.3 Ų65.368%0.68235%0.347SS*.EExtended strand (participates in β ladder)trans-78.5124.3175.3-69-175.2-12.700109.8F256F256-Q283 WeakPolarHBondContact CE2-O 3.31Å; F256-Q283 WeakPolarHBondContact CZ-O 3.27Å
284T90.1Very high90.3Very high18 Ų1864.1 Ų64.111%0.1134%0.343CS..  trans-85.3166.7175.162.40000111D286 S287 R288 L290T284-D286 PolarHBondContact O-N 3.08Å; T284-D286 VanDerWaalsContact O-N 3.17Å; T284-S287 PolarHBondContact O-N 3.47Å; T284-R288 WeakPolarHBondContact CB-O 2.99Å; T284-R288 PolarHBondContact N-O 2.89Å; T284-R288 WeakPolarHBondContact OG1-CB 3.31Å; T284-R288 PolarHBondContact OG1-N 3.39Å; T284-R288 PolarHBondContact OG1-O 2.7Å; T284-L290 HydrophobicContact CG2-CB 3.77Å
285L89.3Confident90.2Very high8 Ų873.6 Ų73.64%0.04238%0.378CS..THydrogen-bonded Turntrans-65.1-15.7177.6-60.4169000113.6L120 E121 Y124 N125 F256 L263 S287 M313L120-L285 HydrophobicContact CB-CD2 4.31Å; L120-L285 HydrophobicContact CD2-CD1 3.81Å; L120-L285 HydrophobicContact CD2-CD2 4.05Å; L120-L285 HydrophobicContact CG-CD1 3.75Å; L120-L285 HydrophobicContact CG-CD2 4.17Å; E121-L285 HydrophobicContact CG-CD2 3.82Å; Y124-L285 HydrophobicContact CD1-CB 4.34Å; Y124-L285 HydrophobicContact CD2-CB 3.85Å; Y124-L285 HydrophobicContact CD2-CD1 3.51Å; Y124-L285 HydrophobicContact CD2-CG 4.3Å; Y124-L285 HydrophobicContact CE2-CB 4.38Å; Y124-L285 HydrophobicContact CE2-CD1 4.2Å; Y124-L285 HydrophobicContact CG-CB 3.78Å; Y124-L285 HydrophobicContact CG-CD1 4.11Å; N125-L285 PolarHBondContact ND2-O 2.77Å; F256-L285 HydrophobicContact CD2-CD2 3.98Å; F256-L285 HydrophobicContact CD2-CG 4.44Å; F256-L285 HydrophobicContact CE2-CD2 4.33Å; L263-L285 HydrophobicContact CD1-CD1 3.68Å; L263-L285 HydrophobicContact CD2-CD1 4.38Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-M313 HydrophobicContact CD1-SD 4.03Å
286D87.1Confident90Very high40 Ų4075.4 Ų75.421%0.21440%0.395CS..THydrogen-bonded Turntrans-85.46.3172.6-75.2-28.9000113Y124 N125 T284 R288 K322Y124-D286 WeakPolarHBondContact CD1-OD1 3.43Å; Y124-D286 WeakPolarHBondContact CE1-OD1 3.16Å; Y124-D286 WeakPolarHBondContact CE1-OD2 3.09Å; Y124-D286 PolarHBondContact OH-OD2 2.82Å; N125-D286 PolarHBondContact OD1-OD1 2.85Å; T284-D286 PolarHBondContact O-N 3.08Å; T284-D286 VanDerWaalsContact O-N 3.17Å; D286-R288 HydrophobicContact CB-CG 4.03Å; D286-R288 PolarHBondContact O-N 3.44Å; D286-R288 VanDerWaalsContact O-N 3.15Å; D286-R288 IonicContact OD2-CZ 2.74Å; D286-R288 IonicContact OD2-NE 2.64Å; D286-R288 PolarHBondContact OD2-NE 2.79Å; D286-R288 IonicContact OD2-NH2 3.39Å; D286-R288 PolarHBondContact OD2-NH2 2.86Å; D286-K322 IonicContact OD2-NZ 2.78Å; D286-K322 PolarHBondContact OD2-NZ 3.27Å
287S87.1Confident89.5Confident113 Ų11374.7 Ų74.779%0.7940%0.4SS*.SBendtrans61.413.6-168.4-52.10000114.6T284 L285T284-S287 PolarHBondContact O-N 3.47Å; L285-S287 VanDerWaalsContact C-N 3.27Å
288R90.1Very high89.3Confident112 Ų11277.9 Ų77.942%0.42341%0.411SS..  trans-84.5145.7172.6-61.4-178.1-72.4132.47.2109.9T284 D286 E311T284-R288 WeakPolarHBondContact CB-O 2.99Å; T284-R288 PolarHBondContact N-O 2.89Å; T284-R288 WeakPolarHBondContact OG1-CB 3.31Å; T284-R288 PolarHBondContact OG1-N 3.39Å; T284-R288 PolarHBondContact OG1-O 2.7Å; D286-R288 HydrophobicContact CB-CG 4.03Å; D286-R288 PolarHBondContact O-N 3.44Å; D286-R288 VanDerWaalsContact O-N 3.15Å; D286-R288 IonicContact OD2-CZ 2.74Å; D286-R288 IonicContact OD2-NE 2.64Å; D286-R288 PolarHBondContact OD2-NE 2.79Å; D286-R288 IonicContact OD2-NH2 3.39Å; D286-R288 PolarHBondContact OD2-NH2 2.86Å; R288-E311 IonicContact NH2-OE2 2.74Å
289T91.6Very high89Confident94 Ų9482.6 Ų82.658%0.57744%0.436SS*.EExtended strand (participates in β ladder)trans-92.4114.4174.8-52.90000110.1P281P281-T289 HydrophobicContact CB-CG2 3.54Å
290L91.6Very high88.8Confident36 Ų3675.6 Ų75.619%0.18841%0.406CS..EExtended strand (participates in β ladder)trans-92.8121.3173.7-175.369.6000109.2V282 T284 I292 V308 E311 L325V282-L290 PolarHBondContact N-O 3.21Å; V282-L290 PolarHBondContact O-N 2.97Å; T284-L290 HydrophobicContact CG2-CB 3.77Å; L290-I292 HydrophobicContact CD2-CG1 4.28Å; L290-I292 HydrophobicContact CG-CG1 4.42Å; L290-I292 PolarHBondContact O-N 3.13Å; L290-V308 HydrophobicContact CD2-CG1 4.35Å; L290-E311 HydrophobicContact CD1-CG 4.3Å; L290-E311 HydrophobicContact CD2-CB 4.35Å; L290-E311 HydrophobicContact CD2-CG 3.99Å; L290-L325 HydrophobicContact CD2-CD2 4.16Å
291L92.4Very high88.7Confident101 Ų10177 Ų7753%0.52942%0.415SS..EExtended strand (participates in β ladder)trans-89.5104.2175.9-171.768.9000109.6K279 P281 T293K279-L291 HydrophobicContact CB-CD1 4.29Å; P281-L291 HydrophobicContact CB-CD1 4.4Å; L291-T293 HydrophobicContact CD2-CG2 4.01Å; L291-T293 HydrophobicContact CG-CG2 3.87Å
292I91.8Very high88.6Confident17 Ų1777.1 Ų77.19%0.08742%0.416CS..EExtended strand (participates in β ladder)trans-84.1124.1174.8-66.2152.3000108M267 F278 K279 R280 V282 L290 I327M267-I292 HydrophobicContact CE-CD1 3.81Å; F278-I292 HydrophobicContact CE2-CB 4.48Å; F278-I292 HydrophobicContact CE2-CG2 3.9Å; F278-I292 HydrophobicContact CZ-CG2 3.97Å; K279-I292 CarbonylContact C-O 3.3Å; K279-I292 WeakPolarHBondContact CA-O 3.36Å; R280-I292 PolarHBondContact N-O 2.7Å; R280-I292 PolarHBondContact O-N 3.05Å; V282-I292 HydrophobicContact CB-CD1 4.03Å; V282-I292 HydrophobicContact CG2-CD1 3.61Å; L290-I292 HydrophobicContact CD2-CG1 4.28Å; L290-I292 HydrophobicContact CG-CG1 4.42Å; L290-I292 PolarHBondContact O-N 3.13Å; I292-I327 HydrophobicContact CD1-CD1 3.4Å; I292-I327 VanDerWaalsContact CD1-CD1 3.4Å; I292-I327 HydrophobicContact CG1-CD1 4.06Å; I292-I327 HydrophobicContact CG2-CD1 4.27Å
293T91.3Very high88.5Confident84 Ų8478.1 Ų78.152%0.51543%0.431SS..EExtended strand (participates in β ladder)trans-125.3128.8-177.163.70000110.9F278 K279 L291F278-T293 WeakPolarHBondContact O-CA 3.39Å; K279-T293 HydrophobicContact CB-CG2 4.27Å; K279-T293 HydrophobicContact CD-CG2 4.31Å; K279-T293 HydrophobicContact CG-CG2 3.86Å; L291-T293 HydrophobicContact CD2-CG2 4.01Å; L291-T293 HydrophobicContact CG-CG2 3.87Å
294S90.2Very high88.5Confident13 Ų1373.5 Ų73.59%0.09141%0.41CS..PPolyproline II helixtrans-101.9139164.5-177.40000109.4F278F278-S294 PolarHBondContact O-N 3.26Å
295R87.3Confident88.7Confident200 Ų20076.4 Ų76.476%0.75543%0.428SS*.PPolyproline II helixtrans-76140.5177.7-66.4-177-178.3-172.91.5109.5G297 E298R295-G297 PolarHBondContact O-N 3.26Å; R295-E298 WeakPolarHBondContact O-CB 3.48Å; R295-E298 PolarHBondContact O-N 2.8Å
296P83.6Confident88.8Confident111 Ų11179.7 Ų79.772%0.72144%0.442SS*.THydrogen-bonded Turntrans-54.6128.9171.4-25.134.3000111.2C276C276-P296 VanDerWaalsContact O-CA 3.29Å; C276-P296 WeakPolarHBondContact O-CA 3.49Å; C276-P296 VanDerWaalsContact O-CB 3.3Å; C276-P296 WeakPolarHBondContact O-CB 3.47Å; C276-P296 WeakPolarHBondContact O-CG 3.43Å
297G74.8Confident89.1Confident62 Ų6281.1 Ų81.164%0.63946%0.455SS*.THydrogen-bonded Turntrans92.5-10.2-174.900000115.1R295 L299R295-G297 PolarHBondContact O-N 3.26Å; G297-L299 PolarHBondContact O-N 3.03Å
298E84.8Confident89.4Confident84 Ų8477.7 Ų77.739%0.39343%0.429SS..  trans-81.7106.3166.7-169.3179.7169.600109.4R295 K306R295-E298 WeakPolarHBondContact O-CB 3.48Å; R295-E298 PolarHBondContact O-N 2.8Å; E298-K306 IonicContact OE1-NZ 2.85Å; E298-K306 PolarHBondContact OE1-NZ 3.21Å
299L85.7Confident89.5Confident112 Ų11278.4 Ų78.459%0.58644%0.44SS*.  trans-75.5125.1-177.5-68.9154.7000110.8L275 G297L275-L299 HydrophobicContact CD2-CD2 3.39Å; G297-L299 PolarHBondContact O-N 3.03Å
300I89.8Confident89.4Confident12 Ų1279.1 Ų79.16%0.06244%0.441CS..  trans-104.5118171-63.8171.9000108.4L269 A274 F278 D304 F329L269-I300 HydrophobicContact CD1-CB 4.49Å; L269-I300 HydrophobicContact CD1-CD1 3.95Å; L269-I300 HydrophobicContact CD1-CG2 4.15Å; A274-I300 PolarHBondContact O-N 2.95Å; F278-I300 HydrophobicContact CD1-CD1 4.33Å; F278-I300 HydrophobicContact CE1-CD1 3.55Å; F278-I300 HydrophobicContact CZ-CD1 4.49Å; I300-D304 HydrophobicContact CG2-CB 4.25Å; I300-F329 HydrophobicContact CD1-CZ 4.49Å; I300-F329 HydrophobicContact CG2-CB 3.54Å; I300-F329 HydrophobicContact CG2-CD1 4.33Å; I300-F329 HydrophobicContact CG2-CD2 3.81Å; I300-F329 HydrophobicContact CG2-CG 3.63Å
301K89.2Confident89.4Confident152 Ų15279.1 Ų79.166%0.66144%0.44SS*.  trans-81.1152.2179-62.6-179.7-177.6-179.60110.3G303 D304K301-G303 PolarHBondContact O-N 2.95Å; K301-D304 HydrophobicContact CB-CB 4.26Å; K301-D304 WeakPolarHBondContact O-CB 3.31Å; K301-D304 PolarHBondContact O-N 2.81Å
302P90.8Very high89.4Confident84 Ų8474.3 Ų74.355%0.54542%0.415SS..THydrogen-bonded Turntrans-56.5127.8167.3-16.927.7000110D304 V331 F333P302-D304 VanDerWaalsContact C-N 3.31Å; P302-V331 HydrophobicContact CB-CB 4.34Å; P302-V331 HydrophobicContact CB-CG2 4.38Å; P302-V331 HydrophobicContact CG-CB 4.06Å; P302-V331 HydrophobicContact CG-CG2 4.14Å; P302-F333 HydrophobicContact CG-CE2 4.35Å
303G88.8Confident89.5Confident42 Ų4273.5 Ų73.543%0.43341%0.411SS..THydrogen-bonded Turntrans81.34.5-176.900000114.9K301 F329K301-G303 PolarHBondContact O-N 2.95Å; G303-F329 WeakPolarHBondContact CA-O 3.28Å; G303-F329 PolarHBondContact N-O 3.37Å
304D91.8Very high89.6Confident48 Ų4869.7 Ų69.726%0.25739%0.387SS..  trans-68.6150174.9-165.517.2000111I300 K301 P302 K306 F329I300-D304 HydrophobicContact CG2-CB 4.25Å; K301-D304 HydrophobicContact CB-CB 4.26Å; K301-D304 WeakPolarHBondContact O-CB 3.31Å; K301-D304 PolarHBondContact O-N 2.81Å; P302-D304 VanDerWaalsContact C-N 3.31Å; D304-K306 WeakPolarHBondContact OD2-CE 3.3Å; D304-K306 IonicContact OD2-NZ 3.23Å; D304-F329 PolarHBondContact O-N 3.34Å
305T93.4Very high89.6Confident80 Ų8071.4 Ų71.449%0.49139%0.394SS..EExtended strand (participates in β ladder)trans-124.1123.7179.3540000110.2I327 H328T305-I327 WeakPolarHBondContact CA-O 3.46Å; T305-H328 HydrophobicContact CG2-CB 4.28Å
306K92.3Very high89.6Confident76 Ų7665.6 Ų65.633%0.3337%0.373SS..EExtended strand (participates in β ladder)trans-116.4158.5172.8-54.3-77.6179.1149.50109.5E298 D304 I327 F329E298-K306 IonicContact OE1-NZ 2.85Å; E298-K306 PolarHBondContact OE1-NZ 3.21Å; D304-K306 WeakPolarHBondContact OD2-CE 3.3Å; D304-K306 IonicContact OD2-NZ 3.23Å; K306-I327 PolarHBondContact N-O 3.14Å; K306-I327 PolarHBondContact O-N 2.89Å; K306-F329 HydrophobicContact CB-CE2 3.72Å; K306-F329 HydrophobicContact CB-CZ 4.49Å; K306-F329 HydrophobicContact CG-CD2 4.23Å; K306-F329 HydrophobicContact CG-CE2 3.56Å; K306-F329 HydrophobicContact CG-CZ 4.49Å
307C93.1Very high89.8Confident70 Ų7070.4 Ų70.447%0.47338%0.377SS..EExtended strand (participates in β ladder)trans-126.5142.517965.90000112.4L325 I326C307-L325 CarbonylContact C-O 3.53Å; C307-L325 WeakPolarHBondContact CA-O 3.28Å; C307-I326 HydrophobicContact CB-CG1 4.48Å
308V92.8Very high90.5Very high42 Ų4274.7 Ų74.726%0.25537%0.374SS..EExtended strand (participates in β ladder)trans-106.3119.3168.7-172.90000107.5L290 E311 R324 L325 I327L290-V308 HydrophobicContact CD2-CG1 4.35Å; V308-E311 HydrophobicContact CB-CB 4.43Å; V308-E311 HydrophobicContact CG1-CB 4.14Å; V308-E311 HydrophobicContact CG1-CG 3.81Å; V308-R324 WeakPolarHBondContact O-CA 3.31Å; V308-L325 HydrophobicContact CB-CB 4.28Å; V308-L325 PolarHBondContact N-O 3.05Å; V308-L325 PolarHBondContact O-N 3.29Å; V308-I327 HydrophobicContact CG2-CD1 4.25Å
309L92.1Very high90.3Very high126 Ų12673.2 Ų73.266%0.6637%0.372SS*.THydrogen-bonded Turntrans-69.2145.9-179.3-59.5176000110.5E311L309-E311 PolarHBondContact O-N 3.22Å; L309-E311 VanDerWaalsContact O-N 3.16Å
310N90.4Very high90.4Very high110 Ų11077.5 Ų77.559%0.58839%0.386SS*.THydrogen-bonded Turntrans62.712176.3-54.4-45.3000116.4K322 G323N310-K322 WeakPolarHBondContact O-CB 3.45Å; N310-K322 VanDerWaalsContact O-CD 3.29Å; N310-K322 WeakPolarHBondContact O-CD 3.46Å; N310-G323 CarbonylContact C-O 3.39Å; N310-G323 VanDerWaalsContact CA-O 3.25Å; N310-G323 WeakPolarHBondContact CA-O 3.47Å; N310-G323 PolarHBondContact N-O 3.21Å
311E91.1Very high90.4Very high36 Ų3681.3 Ų81.317%0.16840%0.403CS..  trans-109.417176.9-67.6-63.7165.800113R288 L290 V308 L309 G323 L325R288-E311 IonicContact NH2-OE2 2.74Å; L290-E311 HydrophobicContact CD1-CG 4.3Å; L290-E311 HydrophobicContact CD2-CB 4.35Å; L290-E311 HydrophobicContact CD2-CG 3.99Å; V308-E311 HydrophobicContact CB-CB 4.43Å; V308-E311 HydrophobicContact CG1-CB 4.14Å; V308-E311 HydrophobicContact CG1-CG 3.81Å; L309-E311 PolarHBondContact O-N 3.22Å; L309-E311 VanDerWaalsContact O-N 3.16Å; E311-G323 PolarHBondContact N-O 2.96Å; E311-L325 HydrophobicContact CB-CB 3.96Å
312G92Very high90.5Very high0 Ų076.7 Ų76.70%038%0.383CS..SBendtrans-87.8-162.7171.200000113.6Y124 G323 R324Y124-G312 WeakPolarHBondContact CE2-O 3.22Å; G312-G323 VanDerWaalsContact CA-C 3.49Å; G312-G323 WeakPolarHBondContact CA-O 3.35Å; G312-G323 PolarHBondContact N-O 2.9Å; G312-R324 WeakPolarHBondContact CA-O 3.29Å
313M94.3Very high90.6Very high0 Ų073.2 Ų73.20%036%0.362CS..PPolyproline II helixtrans-71.2146177.8-68.6-64.4-72.900111.4L120 L123 Y124 R258 E261 L263 L285 K322 G323L120-M313 HydrophobicContact CD1-CE 3.91Å; L120-M313 HydrophobicContact CD1-SD 3.82Å; L120-M313 HydrophobicContact CG-SD 4.25Å; L123-M313 HydrophobicContact CB-CE 3.82Å; Y124-M313 HydrophobicContact CD2-SD 3.81Å; R258-M313 HydrophobicContact CG-CG 3.92Å; E261-M313 WeakPolarHBondContact O-CB 3.34Å; E261-M313 PolarHBondContact O-N 2.9Å; L263-M313 HydrophobicContact CD1-CG 4.48Å; L263-M313 HydrophobicContact CD1-SD 4.31Å; L263-M313 HydrophobicContact CD2-CG 3.65Å; L263-M313 HydrophobicContact CD2-SD 3.75Å; L263-M313 HydrophobicContact CG-CG 3.94Å; L263-M313 HydrophobicContact CG-SD 4.27Å; L285-M313 HydrophobicContact CD1-SD 4.03Å; M313-K322 WeakPolarHBondContact O-CA 3.47Å; M313-G323 PolarHBondContact O-N 3.28Å
314P93.4Very high90.9Very high4 Ų476.8 Ų76.83%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-65.6146.617026.2-32.2000111.3K219 G220K219-P314 HydrophobicContact CB-CB 4.5Å; K219-P314 HydrophobicContact CB-CG 4.18Å; G220-P314 WeakPolarHBondContact CA-O 3.38Å
315M90.5Very high91Very high49 Ų4974.6 Ų74.624%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-76.8135.8174.7-71.8-179.8175.800111.2E261 R317 R318 E321E261-M315 HydrophobicContact CG-CG 4.23Å; E261-M315 WeakPolarHBondContact OE2-CE 3.2Å; M315-R317 PolarHBondContact O-N 3.43Å; M315-R318 HydrophobicContact CB-CB 4.12Å; M315-R318 CarbonylContact O-C 3.55Å; M315-R318 PolarHBondContact O-N 3.34Å; M315-E321 HydrophobicContact CB-CB 4.49Å; M315-E321 HydrophobicContact CG-CB 4.34Å; M315-E321 PolarHBondContact N-O 3.5Å; M315-E321 HydrophobicContact SD-CB 3.77Å
316Y87.6Confident91.1Very high78 Ų7872.3 Ų72.331%0.30634%0.335SS..THydrogen-bonded Turntrans-59.6131.6176.5-176.7-121.7000110.7D218 M221 R318D218-Y316 HydrophobicContact CB-CD2 4.35Å; D218-Y316 HydrophobicContact CB-CE2 3.86Å; M221-Y316 HydrophobicContact CG-CD2 3.76Å; M221-Y316 HydrophobicContact CG-CE2 3.64Å; Y316-R318 PolarHBondContact O-N 3.02Å
317R87.2Confident91.2Very high211 Ų21168.8 Ų68.880%0.79632%0.32SS*.THydrogen-bonded Turntrans68.5-10.6-172-52.9176.5174.4175.4-2.8116M315M315-R317 PolarHBondContact O-N 3.43Å
318R89.2Confident91.3Very high152 Ų15269.3 Ų69.357%0.57432%0.315SS*.EExtended strand (participates in β ladder)trans-127.272.6176.7-63.9-173.9-169.7175.12.5110.1M315 Y316 F320 E321M315-R318 HydrophobicContact CB-CB 4.12Å; M315-R318 CarbonylContact O-C 3.55Å; M315-R318 PolarHBondContact O-N 3.34Å; Y316-R318 PolarHBondContact O-N 3.02Å; R318-F320 PolarHBondContact O-N 3.47Å; R318-F320 VanDerWaalsContact O-N 3.1Å; R318-E321 HydrophobicContact CB-CB 4.44Å; R318-E321 VanDerWaalsContact CD-OE2 3.24Å; R318-E321 WeakPolarHBondContact CD-OE2 3.24Å; R318-E321 IonicContact NH1-OE2 3.36Å; R318-E321 PolarHBondContact NH1-OE2 2.6Å; R318-E321 PolarHBondContact O-N 3.16Å; R318-E321 VanDerWaalsContact O-N 3.13Å
319P81Confident91.4Very high54 Ų5467.5 Ų67.535%0.35130%0.304SS..EExtended strand (participates in β ladder)trans-67.9-14.8-171.428.2-36.1000114.3K219K219-P319 HydrophobicContact CB-CB 4.37Å; K219-P319 HydrophobicContact CD-CB 4.09Å
320F86.8Confident91.4Very high202 Ų20264.1 Ų64.189%0.88629%0.291SS*.EExtended strand (participates in β ladder)trans-82.9-20.2177.8-56-72.8000113R318R318-F320 PolarHBondContact O-N 3.47Å; R318-F320 VanDerWaalsContact O-N 3.1Å
321E90.9Very high91.5Very high92 Ų9259.5 Ų59.543%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-93.2123.1174.9-69.7174.6-17700108.4M315 R318M315-E321 HydrophobicContact CB-CB 4.49Å; M315-E321 HydrophobicContact CG-CB 4.34Å; M315-E321 PolarHBondContact N-O 3.5Å; M315-E321 HydrophobicContact SD-CB 3.77Å; R318-E321 HydrophobicContact CB-CB 4.44Å; R318-E321 VanDerWaalsContact CD-OE2 3.24Å; R318-E321 WeakPolarHBondContact CD-OE2 3.24Å; R318-E321 IonicContact NH1-OE2 3.36Å; R318-E321 PolarHBondContact NH1-OE2 2.6Å; R318-E321 PolarHBondContact O-N 3.16Å; R318-E321 VanDerWaalsContact O-N 3.13Å
322K92.1Very high91.6Very high55 Ų5561.2 Ų61.224%0.23928%0.28CS..EExtended strand (participates in β ladder)trans-117.4146.1179.5-66.6-178.6179.4-170.10109.6Y124 D286 N310 M313Y124-K322 WeakPolarHBondContact OH-CD 3.28Å; Y124-K322 WeakPolarHBondContact OH-CE 3.36Å; Y124-K322 PolarHBondContact OH-NZ 3.17Å; D286-K322 IonicContact OD2-NZ 2.78Å; D286-K322 PolarHBondContact OD2-NZ 3.27Å; N310-K322 WeakPolarHBondContact O-CB 3.45Å; N310-K322 VanDerWaalsContact O-CD 3.29Å; N310-K322 WeakPolarHBondContact O-CD 3.46Å; M313-K322 WeakPolarHBondContact O-CA 3.47Å
323G91.4Very high91.4Very high10 Ų1067.3 Ų67.310%0.10331%0.306CS..  trans-69.2-163.2170.800000112.4N310 E311 G312 M313N310-G323 CarbonylContact C-O 3.39Å; N310-G323 VanDerWaalsContact CA-O 3.25Å; N310-G323 WeakPolarHBondContact CA-O 3.47Å; N310-G323 PolarHBondContact N-O 3.21Å; E311-G323 PolarHBondContact N-O 2.96Å; G312-G323 VanDerWaalsContact CA-C 3.49Å; G312-G323 WeakPolarHBondContact CA-O 3.35Å; G312-G323 PolarHBondContact N-O 2.9Å; M313-G323 PolarHBondContact O-N 3.28Å
324R94.9Very high91Very high117 Ų11769.6 Ų69.644%0.44232%0.321SS..  trans-106.8152.2177.149.8174.7-179.5-171.82.7111.9D262 L263 V308 G312 I326D262-R324 VanDerWaalsContact CA-O 3.28Å; D262-R324 WeakPolarHBondContact CA-O 3.41Å; D262-R324 HydrophobicContact CB-CG 4.26Å; D262-R324 WeakPolarHBondContact OD1-CG 3.27Å; D262-R324 PolarHBondContact OD1-N 2.86Å; D262-R324 VanDerWaalsContact OD1-N 3.13Å; D262-R324 IonicContact OD1-NE 3.03Å; D262-R324 IonicContact OD2-CZ 3.36Å; D262-R324 IonicContact OD2-NE 2.78Å; D262-R324 PolarHBondContact OD2-NE 3.41Å; D262-R324 IonicContact OD2-NH2 3.8Å; D262-R324 PolarHBondContact OD2-NH2 3.43Å; L263-R324 PolarHBondContact N-O 2.95Å; V308-R324 WeakPolarHBondContact O-CA 3.31Å; G312-R324 WeakPolarHBondContact CA-O 3.29Å; R324-I326 HydrophobicContact CG-CG1 4.25Å
325L94.9Very high90.7Very high3 Ų374.3 Ų74.32%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-92.9116.6166.5176.564.3000108.5F256 L263 M265 L290 C307 V308 E311 I327F256-L325 HydrophobicContact CD1-CD1 4.11Å; F256-L325 HydrophobicContact CE1-CD1 3.88Å; L263-L325 HydrophobicContact CB-CD1 3.71Å; L263-L325 CarbonylContact O-C 3.6Å; L263-L325 WeakPolarHBondContact O-CA 3.31Å; M265-L325 HydrophobicContact CE-CD1 3.89Å; M265-L325 HydrophobicContact CE-CD2 3.92Å; M265-L325 HydrophobicContact CE-CG 4.41Å; M265-L325 HydrophobicContact CG-CD1 4.1Å; M265-L325 HydrophobicContact SD-CD1 4.42Å; M265-L325 HydrophobicContact SD-CD2 4.24Å; L290-L325 HydrophobicContact CD2-CD2 4.16Å; C307-L325 CarbonylContact C-O 3.53Å; C307-L325 WeakPolarHBondContact CA-O 3.28Å; V308-L325 HydrophobicContact CB-CB 4.28Å; V308-L325 PolarHBondContact N-O 3.05Å; V308-L325 PolarHBondContact O-N 3.29Å; E311-L325 HydrophobicContact CB-CB 3.96Å; L325-I327 HydrophobicContact CD2-CD1 4.31Å; L325-I327 HydrophobicContact CD2-CG1 4.37Å; L325-I327 HydrophobicContact CG-CG1 4.1Å
326I95.3Very high90.1Very high31 Ų3176.4 Ų76.416%0.15938%0.377CS..EExtended strand (participates in β ladder)trans-99.2124.2176.3-55.1173.1000107.7D262 L263 L264 M265 C307 R324D262-I326 HydrophobicContact CB-CD1 4.07Å; L263-I326 PolarHBondContact O-N 2.96Å; L264-I326 CarbonylContact C-O 3.15Å; L264-I326 VanDerWaalsContact CA-O 3.3Å; L264-I326 WeakPolarHBondContact CA-O 3.47Å; L264-I326 HydrophobicContact CG-CB 4.39Å; M265-I326 PolarHBondContact N-O 3.35Å; C307-I326 HydrophobicContact CB-CG1 4.48Å; R324-I326 HydrophobicContact CG-CG1 4.25Å
327I94.9Very high89.6Confident3 Ų380.4 Ų80.42%0.01540%0.404CS..EExtended strand (participates in β ladder)trans-112119.2-178.4-49.5-177.2000107.3M265 M267 I292 T305 K306 V308 L325 F329M265-I327 HydrophobicContact CG-CB 4.09Å; M265-I327 HydrophobicContact CG-CG1 3.76Å; M265-I327 HydrophobicContact CG-CG2 3.96Å; M265-I327 WeakPolarHBondContact O-CA 3.23Å; M265-I327 HydrophobicContact SD-CB 4.47Å; M265-I327 HydrophobicContact SD-CD1 3.95Å; M265-I327 HydrophobicContact SD-CG1 3.8Å; M265-I327 HydrophobicContact SD-CG2 4.12Å; M267-I327 HydrophobicContact CB-CG2 3.72Å; M267-I327 HydrophobicContact CE-CG2 4.45Å; I292-I327 HydrophobicContact CD1-CD1 3.4Å; I292-I327 VanDerWaalsContact CD1-CD1 3.4Å; I292-I327 HydrophobicContact CG1-CD1 4.06Å; I292-I327 HydrophobicContact CG2-CD1 4.27Å; T305-I327 WeakPolarHBondContact CA-O 3.46Å; K306-I327 PolarHBondContact N-O 3.14Å; K306-I327 PolarHBondContact O-N 2.89Å; V308-I327 HydrophobicContact CG2-CD1 4.25Å; L325-I327 HydrophobicContact CD2-CD1 4.31Å; L325-I327 HydrophobicContact CD2-CG1 4.37Å; L325-I327 HydrophobicContact CG-CG1 4.1Å; I327-F329 HydrophobicContact CB-CE2 4.05Å; I327-F329 HydrophobicContact CB-CZ 3.92Å; I327-F329 HydrophobicContact CG2-CD1 4.15Å; I327-F329 HydrophobicContact CG2-CD2 4.45Å; I327-F329 HydrophobicContact CG2-CE1 3.62Å; I327-F329 HydrophobicContact CG2-CE2 3.93Å; I327-F329 HydrophobicContact CG2-CZ 3.5Å
328H94.6Very high89.4Confident80 Ų8075.2 Ų75.237%0.3739%0.387SS..EExtended strand (participates in β ladder)trans-92.8122.2171.6-179.6-85.5000109.2M265 S266 M267 T305M265-H328 PolarHBondContact O-N 3.35Å; S266-H328 WeakPolarHBondContact CA-O 3.41Å; M267-H328 PolarHBondContact N-O 3.15Å; T305-H328 HydrophobicContact CG2-CB 4.28Å
329F94.1Very high89.1Confident5 Ų570 Ų702%0.02237%0.371CS..EExtended strand (participates in β ladder)trans-95.6123.7-177.6-64.7-77.3000111.4M267 L269 F278 I300 G303 D304 K306 I327M267-F329 HydrophobicContact CB-CD1 4.09Å; M267-F329 HydrophobicContact CB-CE1 4.18Å; M267-F329 HydrophobicContact CG-CD1 4.41Å; M267-F329 HydrophobicContact CG-CE1 4.34Å; M267-F329 WeakPolarHBondContact O-CA 3.4Å; M267-F329 HydrophobicContact SD-CD1 4.48Å; M267-F329 HydrophobicContact SD-CE1 3.86Å; L269-F329 HydrophobicContact CD1-CB 4.37Å; L269-F329 HydrophobicContact CD1-CD1 3.37Å; L269-F329 HydrophobicContact CD1-CE1 3.91Å; L269-F329 HydrophobicContact CD1-CG 4.1Å; L269-F329 HydrophobicContact CG-CD1 3.84Å; L269-F329 HydrophobicContact CG-CE1 4.43Å; F278-F329 HydrophobicContact CE1-CE1 4.2Å; F278-F329 AromaticContact CZ-CE1 3.75Å; F278-F329 HydrophobicContact CZ-CE1 3.75Å; F278-F329 HydrophobicContact CZ-CZ 4.26Å; I300-F329 HydrophobicContact CD1-CZ 4.49Å; I300-F329 HydrophobicContact CG2-CB 3.54Å; I300-F329 HydrophobicContact CG2-CD1 4.33Å; I300-F329 HydrophobicContact CG2-CD2 3.81Å; I300-F329 HydrophobicContact CG2-CG 3.63Å; G303-F329 WeakPolarHBondContact CA-O 3.28Å; G303-F329 PolarHBondContact N-O 3.37Å; D304-F329 PolarHBondContact O-N 3.34Å; K306-F329 HydrophobicContact CB-CE2 3.72Å; K306-F329 HydrophobicContact CB-CZ 4.49Å; K306-F329 HydrophobicContact CG-CD2 4.23Å; K306-F329 HydrophobicContact CG-CE2 3.56Å; K306-F329 HydrophobicContact CG-CZ 4.49Å; I327-F329 HydrophobicContact CB-CE2 4.05Å; I327-F329 HydrophobicContact CB-CZ 3.92Å; I327-F329 HydrophobicContact CG2-CD1 4.15Å; I327-F329 HydrophobicContact CG2-CD2 4.45Å; I327-F329 HydrophobicContact CG2-CE1 3.62Å; I327-F329 HydrophobicContact CG2-CE2 3.93Å; I327-F329 HydrophobicContact CG2-CZ 3.5Å
330S93.2Very high89.3Confident55 Ų5570.4 Ų70.439%0.38537%0.373SS..EExtended strand (participates in β ladder)trans-105.5124.2167.5-172.90000108.6M267 E268 L269M267-S330 PolarHBondContact O-N 3.28Å; E268-S330 CarbonylContact C-O 3.57Å; E268-S330 WeakPolarHBondContact CA-O 3.25Å; L269-S330 PolarHBondContact N-O 2.96Å
331V92.9Very high89.1Confident13 Ų1369.6 Ų69.68%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-96.6117.2179.4-177.60000108.8L269 L271 A274 P302 F333L269-V331 CarbonylContact O-C 3.51Å; L269-V331 WeakPolarHBondContact O-CA 3.16Å; L271-V331 HydrophobicContact CB-CG1 4.36Å; L271-V331 HydrophobicContact CD1-CG1 4.12Å; A274-V331 HydrophobicContact CB-CG1 4.1Å; A274-V331 HydrophobicContact CB-CG2 3.89Å; P302-V331 HydrophobicContact CB-CB 4.34Å; P302-V331 HydrophobicContact CB-CG2 4.38Å; P302-V331 HydrophobicContact CG-CB 4.06Å; P302-V331 HydrophobicContact CG-CG2 4.14Å; V331-F333 HydrophobicContact CG1-CE2 4.49Å
332V91.9Very high88.7Confident72 Ų7270.9 Ų70.944%0.43638%0.375SS..EExtended strand (participates in β ladder)trans-85.5116.8175.3-177.90000108.4E268 L269 L271E268-V332 HydrophobicContact CB-CG2 4.31Å; L269-V332 PolarHBondContact O-N 2.88Å; L271-V332 PolarHBondContact N-O 3.25Å
333F87.8Confident88.3Confident127 Ų12772.9 Ų72.956%0.55738%0.383SS*.PPolyproline II helixtrans-76.4147.8173.4-76.4-94.9000110.6L271 P302 V331L271-F333 HydrophobicContact CD1-CD1 4.41Å; L271-F333 HydrophobicContact CD1-CE1 3.92Å; L271-F333 HydrophobicContact CD1-CZ 4.32Å; L271-F333 HydrophobicContact CD2-CD1 4.01Å; L271-F333 HydrophobicContact CD2-CE1 4.11Å; P302-F333 HydrophobicContact CG-CE2 4.35Å; V331-F333 HydrophobicContact CG1-CE2 4.49Å
334P86.6Confident87.7Confident49 Ų4975.6 Ų75.632%0.31840%0.396SS..PPolyproline II helixtrans-62.4154.6173.928.2-34.5000110.8F338P334-F338 HydrophobicContact CB-CB 3.88Å; P334-F338 HydrophobicContact CB-CD1 3.78Å; P334-F338 HydrophobicContact CB-CD2 3.85Å; P334-F338 HydrophobicContact CB-CE1 4.26Å; P334-F338 HydrophobicContact CB-CE2 4.3Å; P334-F338 HydrophobicContact CB-CG 3.56Å; P334-F338 HydrophobicContact CB-CZ 4.49Å; P334-F338 HydrophobicContact CG-CD1 3.55Å; P334-F338 HydrophobicContact CG-CD2 4.12Å; P334-F338 HydrophobicContact CG-CE1 3.57Å; P334-F338 HydrophobicContact CG-CE2 4.11Å; P334-F338 HydrophobicContact CG-CG 3.84Å; P334-F338 HydrophobicContact CG-CZ 3.86Å
335P86.5Confident87Confident102 Ų10277 Ų7766%0.66241%0.405SS*.PPolyproline II helixtrans-61.4161.6-179.226.7-35.2000112.2N337 F338P335-N337 PolarHBondContact O-N 2.85Å; P335-F338 HydrophobicContact CG-CB 4.35Å; P335-F338 WeakPolarHBondContact O-CB 3.34Å; P335-F338 PolarHBondContact O-N 3.05Å
336A78.4Confident86.4Confident94 Ų9481.8 Ų81.878%0.77743%0.427SS*.THydrogen-bonded Turntrans-54.2140.9174.400000110.9F338A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 3.19Å
337N77.8Confident85.8Confident161 Ų16183.8 Ų83.886%0.86144%0.438SS*.THydrogen-bonded Turntrans60.425.7-177.5-56.8-47000115.7P335 L339P335-N337 PolarHBondContact O-N 2.85Å; N337-L339 PolarHBondContact O-N 3.49Å; N337-L339 VanDerWaalsContact O-N 3.11Å
338F81.3Confident85.1Confident102 Ų10288.2 Ų88.245%0.44746%0.458SS..  trans-60.8-22.1-179.587-78.8000114.9P334 P335 A336P334-F338 HydrophobicContact CB-CB 3.88Å; P334-F338 HydrophobicContact CB-CD1 3.78Å; P334-F338 HydrophobicContact CB-CD2 3.85Å; P334-F338 HydrophobicContact CB-CE1 4.26Å; P334-F338 HydrophobicContact CB-CE2 4.3Å; P334-F338 HydrophobicContact CB-CG 3.56Å; P334-F338 HydrophobicContact CB-CZ 4.49Å; P334-F338 HydrophobicContact CG-CD1 3.55Å; P334-F338 HydrophobicContact CG-CD2 4.12Å; P334-F338 HydrophobicContact CG-CE1 3.57Å; P334-F338 HydrophobicContact CG-CE2 4.11Å; P334-F338 HydrophobicContact CG-CG 3.84Å; P334-F338 HydrophobicContact CG-CZ 3.86Å; P335-F338 HydrophobicContact CG-CB 4.35Å; P335-F338 WeakPolarHBondContact O-CB 3.34Å; P335-F338 PolarHBondContact O-N 3.05Å; A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 3.19Å
339L84.1Confident84.6Confident44 Ų4494.2 Ų94.223%0.2348%0.478CS..SBendtrans-124.9142.5175.9-81170.4000111.4N337 K343 L344 L347N337-L339 PolarHBondContact O-N 3.49Å; N337-L339 VanDerWaalsContact O-N 3.11Å; L339-K343 HydrophobicContact CB-CB 4.48Å; L339-K343 HydrophobicContact CD2-CB 4.04Å; L339-K343 HydrophobicContact CD2-CD 3.91Å; L339-L344 HydrophobicContact CB-CD2 3.87Å; L339-L344 HydrophobicContact CB-CG 4.26Å; L339-L344 HydrophobicContact CD1-CD2 4.42Å; L339-L347 HydrophobicContact CD1-CD1 4.41Å
340P84.8Confident83.9Confident61 Ų61103.6 Ų103.640%0.39651%0.514SS..  trans-67.2149.7171.930.2-35.4000111H342 K343 L344P340-H342 WeakPolarHBondContact CB-CE1 3.37Å; P340-H342 WeakPolarHBondContact CG-CE1 3.27Å; P340-H342 PolarHBondContact O-N 3.22Å; P340-K343 HydrophobicContact CG-CB 4.36Å; P340-K343 HydrophobicContact CG-CD 4.12Å; P340-K343 HydrophobicContact CG-CG 4.16Å; P340-K343 PolarHBondContact O-N 2.84Å; P340-L344 PolarHBondContact O-N 3.26Å
341K82.9Confident83.4Confident185 Ų185105.3 Ų105.380%0.80452%0.519SS*.Hα-helixtrans-52.3-31-172.2-63.4-175.5-179.9-176.90115L344K341-L344 PolarHBondContact O-N 2.92Å
342H83Confident82.7Confident120 Ų120110.3 Ų110.356%0.55655%0.552SS**Hα-helixtrans-69.7-35.6178.261.2-89.8000112.8P340P340-H342 WeakPolarHBondContact CB-CE1 3.37Å; P340-H342 WeakPolarHBondContact CG-CE1 3.27Å; P340-H342 PolarHBondContact O-N 3.22Å
343K83.3Confident81.8Confident96 Ų96110.2 Ų110.242%0.41757%0.565SS.*Hα-helixtrans-78.8-22.9176.5-68.7-172.9179.2-176.50112.9L339 P340 K345 E346 L347L339-K343 HydrophobicContact CB-CB 4.48Å; L339-K343 HydrophobicContact CD2-CB 4.04Å; L339-K343 HydrophobicContact CD2-CD 3.91Å; P340-K343 HydrophobicContact CG-CB 4.36Å; P340-K343 HydrophobicContact CG-CD 4.12Å; P340-K343 HydrophobicContact CG-CG 4.16Å; P340-K343 PolarHBondContact O-N 2.84Å; K343-K345 VanDerWaalsContact C-N 3.28Å; K343-K345 PolarHBondContact O-N 3.41Å; K343-E346 WeakPolarHBondContact O-CB 3.5Å; K343-E346 PolarHBondContact O-N 2.88Å; K343-E346 VanDerWaalsContact O-N 3.11Å; K343-L347 PolarHBondContact O-N 3.38Å
344L79.6Confident81.2Confident68 Ų68111.9 Ų111.936%0.35657%0.572SS.*Hα-helixtrans-62.7-37172.9-67.9177.1000111.6L339 P340 K341 E346 L347 E348L339-L344 HydrophobicContact CB-CD2 3.87Å; L339-L344 HydrophobicContact CB-CG 4.26Å; L339-L344 HydrophobicContact CD1-CD2 4.42Å; P340-L344 PolarHBondContact O-N 3.26Å; K341-L344 PolarHBondContact O-N 2.92Å; L344-E346 PolarHBondContact O-N 2.79Å; L344-L347 WeakPolarHBondContact O-CB 3.35Å; L344-L347 PolarHBondContact O-N 3.37Å; L344-L347 VanDerWaalsContact O-N 3.16Å; L344-E348 WeakPolarHBondContact O-CG 3.3Å; L344-E348 PolarHBondContact O-N 2.86Å
345K79.1Confident80.4Confident147 Ų147118.2 Ų118.264%0.63960%0.599SS**Hα-helixtrans-63.6-28.8173.2-68.2-173.3177.4-174.90113K343K343-K345 VanDerWaalsContact C-N 3.28Å; K343-K345 PolarHBondContact O-N 3.41Å
346E82.9Confident79.3Confident103 Ų103120.7 Ų120.748%0.48161%0.607SS.*Hα-helixtrans-74.2-40.5173.5-63.8176.917400110.8K343 L344 E348 R349 Y350K343-E346 WeakPolarHBondContact O-CB 3.5Å; K343-E346 PolarHBondContact O-N 2.88Å; K343-E346 VanDerWaalsContact O-N 3.11Å; L344-E346 PolarHBondContact O-N 2.79Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.42Å; E346-R349 WeakPolarHBondContact O-CB 3.25Å; E346-R349 PolarHBondContact O-N 2.82Å; E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 WeakPolarHBondContact O-CE2 3.5Å
347L82.4Confident78.4Confident73 Ų73122.3 Ų122.338%0.38261%0.608SS.*Hα-helixtrans-61.3-41.3175-166.7105.3000112L339 K343 L344 R349 Y350 L351L339-L347 HydrophobicContact CD1-CD1 4.41Å; K343-L347 PolarHBondContact O-N 3.38Å; L344-L347 WeakPolarHBondContact O-CB 3.35Å; L344-L347 PolarHBondContact O-N 3.37Å; L344-L347 VanDerWaalsContact O-N 3.16Å; L347-R349 PolarHBondContact O-N 3.22Å; L347-Y350 PolarHBondContact O-N 3.4Å; L347-L351 HydrophobicContact CD2-CD1 3.7Å; L347-L351 HydrophobicContact CG-CD1 4.17Å; L347-L351 PolarHBondContact O-N 3.45Å
348E80.2Confident77.4Confident96 Ų96123.2 Ų123.245%0.44961%0.607SS.*Hα-helixtrans-58.2-27.2176-76.7-178.4156.100112.8L344 E346 Y350 K354L344-E348 WeakPolarHBondContact O-CG 3.3Å; L344-E348 PolarHBondContact O-N 2.86Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.42Å; E348-Y350 VanDerWaalsContact C-N 3.32Å; E348-K354 VanDerWaalsContact OE1-CE 3.3Å; E348-K354 WeakPolarHBondContact OE1-CE 3.44Å; E348-K354 IonicContact OE1-NZ 3.96Å; E348-K354 PolarHBondContact OE1-NZ 3.09Å
349R83.1Confident76.1Confident205 Ų205125.8 Ų125.877%0.77462%0.62SS**Hα-helixtrans-72.7-24.5176.6-64.8174.8-179.7-178.2-1.3113.5E346 L347E346-R349 WeakPolarHBondContact O-CB 3.25Å; E346-R349 PolarHBondContact O-N 2.82Å; L347-R349 PolarHBondContact O-N 3.22Å
350Y80.9Confident74.6Confident202 Ų202127.8 Ų127.879%0.79263%0.634SS**Hα-helixtrans-95-13.7-177.9-63.5-71.3000113E346 L347 E348E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 WeakPolarHBondContact O-CE2 3.5Å; L347-Y350 PolarHBondContact O-N 3.4Å; E348-Y350 VanDerWaalsContact C-N 3.32Å
351L81.8Confident73Confident91 Ų91132.2 Ų132.248%0.47666%0.655SS.*SBendtrans-97.7157.3178.2-68.5176.3000110.7L347L347-L351 HydrophobicContact CD2-CD1 3.7Å; L347-L351 HydrophobicContact CG-CD1 4.17Å; L347-L351 PolarHBondContact O-N 3.45Å
352P77.6Confident71.6Confident119 Ų119128.2 Ų128.277%0.77365%0.65SS**PPolyproline II helixtrans-56.1144.8172.521.8-31.2000110.8
353G74.6Confident70.2Confident69 Ų69128.6 Ų128.671%0.71165%0.653SS**PPolyproline II helixtrans-54.5147.6177.700000111.3M355G353-M355 PolarHBondContact O-N 2.94Å
354K74.3Confident68.9Low162 Ų162130 Ų13070%0.70467%0.666SS**PPolyproline II helixtrans-57.5137.6171.3-65.2176.6-175168.10107.6E348 D356E348-K354 VanDerWaalsContact OE1-CE 3.3Å; E348-K354 WeakPolarHBondContact OE1-CE 3.44Å; E348-K354 IonicContact OE1-NZ 3.96Å; E348-K354 PolarHBondContact OE1-NZ 3.09Å; K354-D356 PolarHBondContact O-N 3.16Å
355M69.8Low67.7Low182 Ų182135 Ų13590%0.89769%0.687SS**PPolyproline II helixtrans-58.7131.4171.9-63.8-170.179.600107.4G353 T357G353-M355 PolarHBondContact O-N 2.94Å; M355-T357 PolarHBondContact O-N 3.47Å
356D62.8Low66.6Low154 Ų154135.6 Ų135.682%0.82470%0.697SS**PPolyproline II helixtrans-56.6129.2177.5-67.6-41.7000107.9K354 E358K354-D356 PolarHBondContact O-N 3.16Å; D356-E358 PolarHBondContact O-N 3.16Å
357T61.1Low65.3Low129 Ų129135.9 Ų135.979%0.79170%0.702SS**  trans-59.8110.1170-37.50000105.6M355 Q359M355-T357 PolarHBondContact O-N 3.47Å; T357-Q359 PolarHBondContact O-N 3.31Å
358E55.9Low64.2Low179 Ų179138 Ų13884%0.83671%0.705SS**  trans-58.899.8164.7-72.8-173.6168.600105.5D356 T360D356-E358 PolarHBondContact O-N 3.16Å; E358-T360 VanDerWaalsContact C-N 3.34Å; E358-T360 PolarHBondContact O-N 2.78Å
359Q54.8Low63.7Low156 Ų156141 Ų14173%0.72972%0.723SS**  trans-61.9107.4164.7-72.8-177.8-29.700104.3T357 D361T357-Q359 PolarHBondContact O-N 3.31Å; Q359-D361 PolarHBondContact O-N 3.21Å
360T52.5Low62.9Low86 Ų86140.9 Ų140.953%0.52872%0.724SS.*  trans-64.996.1166.244.70000106E358 S362E358-T360 VanDerWaalsContact C-N 3.34Å; E358-T360 PolarHBondContact O-N 2.78Å; T360-S362 PolarHBondContact O-N 2.96Å
361D50.3Low62.5Low155 Ų155135.5 Ų135.583%0.82972%0.721SS**THydrogen-bonded Turntrans-62.721-176.5-78.1-24.8000114.3Q359Q359-D361 PolarHBondContact O-N 3.21Å
362S54.5Low62.2Low101 Ų101138.3 Ų138.371%0.70674%0.737SS**THydrogen-bonded Turntrans-137.216.6-16577.80000117.6T360T360-S362 PolarHBondContact O-N 2.96Å
363M52.3Low61.9Low127 Ų127141.3 Ų141.363%0.62675%0.745SS**SBendtrans-149.6137.8167.8-63.5-170.987.500111.7L367M363-L367 HydrophobicContact CE-CD2 3.7Å; M363-L367 HydrophobicContact SD-CD2 4.49Å
364D56.8Low61.9Low126 Ų126146.2 Ų146.267%0.67475%0.75SS**  trans-46.6142.4-177.3-61.7-56.2000113.4D366 L367D364-D366 PolarHBondContact O-N 2.75Å; D364-L367 PolarHBondContact O-N 3.24Å; D364-L367 VanDerWaalsContact O-N 3.07Å
365E54.3Low61.6Low173 Ų173145.5 Ų145.581%0.80875%0.754SS**G310 helixtrans-55.8-17.3179.9-72.9-174.6150.800113.8L367E365-L367 VanDerWaalsContact C-N 3.29Å; E365-L367 PolarHBondContact O-N 2.95Å
366D55.5Low61.6Low159 Ų159143.1 Ų143.185%0.8575%0.754SS**G310 helixtrans-78.8-1.1178.4-64.9-26.6000114.5D364D364-D366 PolarHBondContact O-N 2.75Å
367L54.9Low61.8Low110 Ų110141.1 Ų141.158%0.57674%0.743SS**G310 helixtrans-102.4-1.2179.9-109.294.7000115.7M363 D364 E365 I369M363-L367 HydrophobicContact CE-CD2 3.7Å; M363-L367 HydrophobicContact SD-CD2 4.49Å; D364-L367 PolarHBondContact O-N 3.24Å; D364-L367 VanDerWaalsContact O-N 3.07Å; E365-L367 VanDerWaalsContact C-N 3.29Å; E365-L367 PolarHBondContact O-N 2.95Å; L367-I369 PolarHBondContact O-N 3.49Å
368Y60.2Low61.5Low116 Ų116142.1 Ų142.146%0.45574%0.742SS.*  trans-79.9111.1178.4-65.9-80.2000111.3Y370Y368-Y370 PolarHBondContact O-N 3.15Å
369I69.4Low61.6Low161 Ų161141.6 Ų141.683%0.82674%0.74SS**  trans-82106165.6-57.4174.3000107.3L367 A371L367-I369 PolarHBondContact O-N 3.49Å; I369-A371 PolarHBondContact O-N 3.06Å
370Y66.8Low61.5Low201 Ų201137.5 Ų137.579%0.78873%0.728SS**  trans-67.5115.1170.1-64.7-85.4000108.9Y368Y368-Y370 PolarHBondContact O-N 3.15Å
371A72.4Confident61.5Low89 Ų89143.1 Ų143.174%0.73674%0.74SS**  trans-105.6107.7173.100000108.4I369I369-A371 PolarHBondContact O-N 3.06Å
372D75.4Confident61.7Low151 Ų151146 Ų14681%0.80774%0.739SS**  trans-69136.5168.8-70.1-35.4000109.3E374D372-E374 PolarHBondContact O-N 2.92Å
373L71.4Confident61.6Low181 Ų181151.3 Ų151.395%0.94874%0.744SS**  trans-74.4114.8175.2-73.1161.2000108.9
374E74.7Confident61.4Low172 Ų172152 Ų15280%0.80475%0.745SS**  trans-96.7148170.5-66.3-176.417300110.9D372 C376D372-E374 PolarHBondContact O-N 2.92Å; E374-C376 PolarHBondContact O-N 3.45Å
375D68.6Low60.8Low148 Ų148155.3 Ų155.379%0.79175%0.748SS**  trans-62.6126.9172.3-70.2-36.9000109.9D377D375-D377 PolarHBondContact O-N 2.87Å
376C68.4Low60.2Low132 Ų132154.6 Ų154.689%0.89275%0.745SS**  trans-73.324.9-179.3-73.50000114.1E374 L378E374-C376 PolarHBondContact O-N 3.45Å; C376-L378 PolarHBondContact O-N 3.47Å
377D66.7Low59.4Low112 Ų112154.7 Ų154.760%0.59974%0.74SS**  trans-75.7111.7-180-104.3-16.7000111.2D375 E379 S380D375-D377 PolarHBondContact O-N 2.87Å; D377-E379 PolarHBondContact O-N 3.33Å; D377-E379 VanDerWaalsContact O-N 3.14Å; D377-S380 PolarHBondContact O-N 3.39Å
378L56Low58.5Low149 Ų149159.1 Ų159.178%0.7875%0.751SS**Hα-helixtrans-59.1-23-179.9-96.3139.1000113.8C376C376-L378 PolarHBondContact O-N 3.47Å
379E57.3Low57.5Low168 Ų168162.5 Ų162.579%0.78576%0.764SS**Hα-helixtrans-73.3-38.1177-74-160.5146.800113D377 R381 R382D377-E379 PolarHBondContact O-N 3.33Å; D377-E379 VanDerWaalsContact O-N 3.14Å; E379-R381 PolarHBondContact O-N 2.84Å; E379-R382 PolarHBondContact O-N 3.49Å
380S53.4Low56.3Low70 Ų70164.7 Ų164.749%0.4976%0.763SS.*Hα-helixtrans-64.3-30180-630000112D377 R382 R383D377-S380 PolarHBondContact O-N 3.39Å; S380-R382 PolarHBondContact O-N 3.48Å; S380-R383 PolarHBondContact O-N 2.86Å
381R52.4Low55.2Low204 Ų204163.2 Ų163.277%0.7777%0.765SS**Hα-helixtrans-72.3-25.1-179.6-147.3172.3-179178.41.5113.8E379E379-R381 PolarHBondContact O-N 2.84Å
382R53.7Low53.7Low216 Ų216166.4 Ų166.482%0.81577%0.77SS**Hα-helixtrans-72.2-30.5175.8-83.9-175.2175.2177.1-0.4112.9E379 S380E379-R382 PolarHBondContact O-N 3.49Å; S380-R382 PolarHBondContact O-N 3.48Å
383R53.8Low52.1Low213 Ų213167.8 Ų167.880%0.80477%0.772SS**Hα-helixtrans-73.1-37.3178.9-73.5-177.2178.1164.52112.5S380S380-R383 PolarHBondContact O-N 2.86Å
384H47.1Very low50.4Low142 Ų142166.4 Ų166.466%0.65777%0.765SS**Hα-helixtrans-75.1-26.9-178.9-90.872.2000114.2H386H384-H386 VanDerWaalsContact C-N 3.3Å; H384-H386 PolarHBondContact O-N 3.14Å
385R45Very low48.8Very low194 Ų194164.7 Ų164.773%0.73276%0.762SS**THydrogen-bonded Turntrans-74.2-18.8-178.2-156.7175.5-176.11790.9113.9
386H41.3Very low47.2Very low158 Ų158167 Ų16773%0.73176%0.761SS**THydrogen-bonded Turntrans-86.9-8.2-174.9-136.8-58.8000114.2H384H384-H386 VanDerWaalsContact C-N 3.3Å; H384-H386 PolarHBondContact O-N 3.14Å
387Q38.3Very low45.7Very low162 Ų162167.9 Ų167.976%0.75776%0.762SS**SBendtrans-95.6-14.2-175.7-163.4166.57.200113.7
388Y36.7Very low44.2Very low203 Ų203167.4 Ų167.480%0.79677%0.767SS**SBendtrans-96.51-173.4-101.5-84.4000115.6
389Y39.5Very low43.2Very low187 Ų187167 Ų16773%0.73377%0.772SS**SBendtrans-97.116.3-173.7-104.2-78.8000115.3
390Y43.8Very low42Very low207 Ų207163 Ų16381%0.81278%0.775SS**SBendtrans-131.821.4-175.1-87.5-67.4000116.5
391M43.8Very low41.1Very low169 Ų169163.3 Ų163.383%0.83379%0.789SS**SBendtrans-141.1125.4169.7-68.5-65.8-155.600111.4
392D40.5Very low40.2Very low157 Ų157160.4 Ų160.484%0.8479%0.794SS**  trans8677.6161.1-60.5-39.8000120.6
393E41.3Very low39.6Very low180 Ų180158.8 Ų158.884%0.84180%0.796SS**  trans-122.4112.1132-79.1-175.5156.800104
394D36.5Very low38.6Very low152 Ų152154.5 Ų154.581%0.81380%0.797SS**  -174119.584.7-73.7-45.2000110.1
395D40Very low38.1Very low136 Ų136155.7 Ų155.773%0.72780%0.802SS**  trans-156.2151147.1-146.4-11.8000111.9
396Y35.6Very low37.9Very low197 Ų197151.7 Ų151.777%0.77380%0.799SS**  trans89.1108.8175.1-53.8-72.5000119.5
397T36.2Very low37.9Very low150 Ų150153.6 Ų153.692%0.9283%0.831SS**  -176.714990.331.30000113.3
398S36.1Very low37.9Very low101 Ų101153.2 Ų153.271%0.70684%0.835SS**  trans-108.9148.2-168.1-166.60000113.9
399T35.7Very low37.9Very low142 Ų142150.6 Ų150.687%0.87184%0.837SS**  trans68.2126.1150.246.30000123.5
400G32.3Very low37.9Very low82 Ų82148.6 Ų148.685%0.84584%0.842SS**  trans170.387.7154.700000112.1
401G34.3Very low37.5Very low77 Ų77145.1 Ų145.179%0.79484%0.844SS**  trans-84.7161.4-17300000115.8
402V33.5Very low37.1Very low143 Ų143143.6 Ų143.687%0.86785%0.845SS**  trans-146.8129.5148.1-171.40000108.2
403Q39.9Very low36.9Very low183 Ų183142.7 Ų142.786%0.85585%0.845SS**  trans-110.7128.3178.2-143.2-178.80.100108.1
404C34.1Very low36.6Very low123 Ų123140.1 Ų140.183%0.83185%0.846SS**  trans-137.7130.5162.5-57.10000109
405H35.7Very low36.6Very low166 Ų166139.2 Ų139.277%0.76985%0.848SS**  trans-84.8140.3-170.8-132.4-67.3000112.4
406T41.3Very low36.3Very low110 Ų110139.4 Ų139.468%0.67586%0.858SS**  trans15.8131.3150.956.50000121.2
407S40.8Very low36.3Very low199 Ų199134.2 Ų134.2100%1.39287%0.866SS**  -159.40103.7-67.90000110.1

Retrieved 407 of 407 residues in 199.3 ms (Link to these results)