A0A087XM62_POEFO Loading...

Parafibromin

AlphaFold DB , UniProt , Accession A0A087XM62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1M47.1Very low82.4Confident193 Ų19345.5 Ų45.595%0.95124%0.238SC*.  01120-153.6168.2-129.100106I116M1-I116 HydrophobicContact CE-CD1 4.27Å; M1-I116 HydrophobicContact CE-CG1 4.5Å; M1-I116 HydrophobicContact CE-CG2 3.59Å; M1-I116 HydrophobicContact SD-CB 4.39Å; M1-I116 HydrophobicContact SD-CD1 3.56Å; M1-I116 VanDerWaalsContact SD-CD1 3.56Å; M1-I116 HydrophobicContact SD-CG1 3.67Å; M1-I116 HydrophobicContact SD-CG2 3.81Å
2A64.9Low83Confident55 Ų5543.1 Ų43.146%0.45523%0.226SC..  trans-81.1141.1-174.600000110V7A2-V7 HydrophobicContact CB-CG2 3.95Å
3D83.1Confident83.5Confident22 Ų2245.5 Ų45.512%0.11824%0.238CC..  trans-68.9155.7171.956.2-74.8000111.9L5 S6 V7 N39 I114D3-L5 PolarHBondContact O-N 3.48Å; D3-L5 WeakPolarHBondContact OD2-CB 3.39Å; D3-S6 WeakPolarHBondContact O-CB 3.42Å; D3-S6 PolarHBondContact O-N 3.36Å; D3-S6 VanDerWaalsContact O-N 3.08Å; D3-S6 WeakPolarHBondContact OD1-CB 3.48Å; D3-S6 PolarHBondContact OD1-OG 2.92Å; D3-S6 WeakPolarHBondContact OD2-CB 3.43Å; D3-S6 PolarHBondContact OD2-N 3.49Å; D3-S6 PolarHBondContact OD2-OG 3.14Å; D3-S6 VanDerWaalsContact OD2-OG 3.07Å; D3-V7 WeakPolarHBondContact O-CG2 3.35Å; D3-V7 PolarHBondContact O-N 3.25Å; D3-N39 PolarHBondContact OD2-ND2 2.97Å; D3-I114 HydrophobicContact CB-CD1 3.9Å; D3-I114 HydrophobicContact CB-CG1 3.96Å; D3-I114 HydrophobicContact CB-CG2 3.86Å
4V87.6Confident83.9Confident5 Ų548.6 Ų48.63%0.0325%0.251CS..Hα-helixtrans-57-32.7-177.766.80000113V7 L8 F27 W32 V36 T38 L57V4-V7 PolarHBondContact O-N 3.35Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-F27 HydrophobicContact CG2-CE2 4.43Å; V4-W32 HydrophobicContact CB-CD2 4.18Å; V4-W32 HydrophobicContact CB-CG 4.29Å; V4-W32 HydrophobicContact CB-CZ2 4.39Å; V4-W32 HydrophobicContact CG2-CB 4.16Å; V4-W32 HydrophobicContact CG2-CD2 3.6Å; V4-W32 HydrophobicContact CG2-CE3 4.03Å; V4-W32 HydrophobicContact CG2-CG 3.66Å; V4-V36 HydrophobicContact CG1-CG1 4.29Å; V4-V36 HydrophobicContact CG1-CG2 4.44Å; V4-V36 HydrophobicContact CG2-CG1 4.25Å; V4-T38 HydrophobicContact CG1-CG2 4.09Å; V4-L57 HydrophobicContact CG2-CD1 4.05Å; V4-L57 HydrophobicContact CG2-CD2 3.84Å; V4-L57 HydrophobicContact CG2-CG 4.45Å
5L88.9Confident84.1Confident0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-72.5-41.9177.2-173.667.9000111.8D3 V7 L8 R9 N39 Y40 I60 L94 Y97 L98 I108D3-L5 PolarHBondContact O-N 3.48Å; D3-L5 WeakPolarHBondContact OD2-CB 3.39Å; L5-V7 VanDerWaalsContact C-N 3.3Å; L5-V7 PolarHBondContact O-N 3.27Å; L5-L8 HydrophobicContact CD1-CD2 4.4Å; L5-L8 PolarHBondContact O-N 3.45Å; L5-R9 WeakPolarHBondContact O-CB 3.25Å; L5-R9 PolarHBondContact O-N 3.2Å; L5-N39 VanDerWaalsContact CB-OD1 3.27Å; L5-N39 WeakPolarHBondContact CB-OD1 3.17Å; L5-N39 WeakPolarHBondContact CD2-OD1 3.41Å; L5-Y40 HydrophobicContact CD2-CD2 4.06Å; L5-I60 HydrophobicContact CD1-CD1 3.65Å; L5-I60 HydrophobicContact CD1-CG2 4.17Å; L5-L94 HydrophobicContact CD1-CD1 4.47Å; L5-Y97 HydrophobicContact CD2-CD1 4.36Å; L5-Y97 HydrophobicContact CD2-CE1 3.88Å; L5-Y97 HydrophobicContact CG-CE1 3.92Å; L5-L98 HydrophobicContact CD1-CD2 4.11Å; L5-I108 HydrophobicContact CD2-CD1 4.46Å; L5-I108 HydrophobicContact CD2-CG1 4.46Å
6S87.9Confident84.3Confident33 Ų3359 Ų5923%0.23129%0.291CS..Hα-helixtrans-61.8-38.1172.4-70.80000112.1D3 R9 Q10 Y97D3-S6 WeakPolarHBondContact O-CB 3.42Å; D3-S6 PolarHBondContact O-N 3.36Å; D3-S6 VanDerWaalsContact O-N 3.08Å; D3-S6 WeakPolarHBondContact OD1-CB 3.48Å; D3-S6 PolarHBondContact OD1-OG 2.92Å; D3-S6 WeakPolarHBondContact OD2-CB 3.43Å; D3-S6 PolarHBondContact OD2-N 3.49Å; D3-S6 PolarHBondContact OD2-OG 3.14Å; D3-S6 VanDerWaalsContact OD2-OG 3.07Å; S6-R9 PolarHBondContact O-N 2.91Å; S6-Q10 WeakPolarHBondContact O-CB 3.42Å; S6-Q10 PolarHBondContact O-N 3.48Å; S6-Y97 PolarHBondContact OG-OH 2.88Å
7V88.8Confident84.3Confident12 Ų1265.1 Ų65.17%0.07332%0.318CS..Hα-helixtrans-65.3-47.6174.2176.40000110.2A2 D3 V4 L5 R9 Q10 Y11 F27 W32A2-V7 HydrophobicContact CB-CG2 3.95Å; D3-V7 WeakPolarHBondContact O-CG2 3.35Å; D3-V7 PolarHBondContact O-N 3.25Å; V4-V7 PolarHBondContact O-N 3.35Å; L5-V7 VanDerWaalsContact C-N 3.3Å; L5-V7 PolarHBondContact O-N 3.27Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 2.94Å; V7-Q10 PolarHBondContact O-N 2.98Å; V7-Q10 VanDerWaalsContact O-N 3.13Å; V7-Y11 HydrophobicContact CG1-CD2 3.89Å; V7-Y11 HydrophobicContact CG1-CE2 3.87Å; V7-Y11 VanDerWaalsContact O-CD2 3.29Å; V7-Y11 WeakPolarHBondContact O-CD2 3.42Å; V7-Y11 PolarHBondContact O-N 3.33Å; V7-F27 HydrophobicContact CG1-CB 3.83Å; V7-F27 HydrophobicContact CG1-CD1 4.11Å; V7-F27 HydrophobicContact CG1-CD2 4.39Å; V7-F27 HydrophobicContact CG1-CG 3.86Å; V7-W32 HydrophobicContact CB-CH2 4.25Å; V7-W32 HydrophobicContact CG1-CH2 4.09Å; V7-W32 HydrophobicContact CG1-CZ3 4.09Å; V7-W32 HydrophobicContact CG2-CH2 3.98Å
8L89.5Confident84.5Confident0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-56.4-44.9174.9176.763.4000111.8V4 L5 Y11 N12 I18 F27 L57 I60 L61 L64 L98V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 3.36Å; L5-L8 HydrophobicContact CD1-CD2 4.4Å; L5-L8 PolarHBondContact O-N 3.45Å; L8-Y11 PolarHBondContact O-N 2.89Å; L8-N12 WeakPolarHBondContact O-CB 3.43Å; L8-N12 PolarHBondContact O-N 3.04Å; L8-I18 HydrophobicContact CD1-CD1 3.64Å; L8-F27 HydrophobicContact CB-CE1 4.11Å; L8-F27 HydrophobicContact CB-CZ 4.17Å; L8-F27 HydrophobicContact CD1-CE1 3.68Å; L8-F27 HydrophobicContact CD1-CZ 3.97Å; L8-L57 HydrophobicContact CD2-CD1 3.91Å; L8-I60 HydrophobicContact CD2-CB 4.39Å; L8-I60 HydrophobicContact CD2-CG2 3.67Å; L8-L61 HydrophobicContact CD1-CD1 4.01Å; L8-L64 HydrophobicContact CD1-CD2 4.31Å; L8-L98 HydrophobicContact CD2-CD2 4.1Å; L8-L98 HydrophobicContact CG-CD2 4.11Å
9R89.6Confident84.6Confident57 Ų5763 Ų6322%0.21531%0.312CS..Hα-helixtrans-58.7-48.7174.7175.4-179.7-179.3-791111.4L5 S6 V7 Y11 N12 I13 Y97 L98L5-R9 WeakPolarHBondContact O-CB 3.25Å; L5-R9 PolarHBondContact O-N 3.2Å; S6-R9 PolarHBondContact O-N 2.91Å; V7-R9 VanDerWaalsContact C-N 3.31Å; V7-R9 PolarHBondContact O-N 2.94Å; R9-Y11 VanDerWaalsContact C-N 3.31Å; R9-Y11 PolarHBondContact O-N 2.82Å; R9-N12 PolarHBondContact O-N 3.49Å; R9-I13 HydrophobicContact CG-CD1 3.63Å; R9-I13 HydrophobicContact CG-CG1 4.35Å; R9-I13 VanDerWaalsContact NH1-CD1 3.33Å; R9-I13 WeakPolarHBondContact O-CB 3.44Å; R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.46Å; R9-Y97 HydrophobicContact CB-CE1 4.18Å; R9-Y97 VanDerWaalsContact CD-CZ 3.45Å; R9-Y97 WeakPolarHBondContact CD-O 3.47Å; R9-Y97 HydrophobicContact CG-CE1 4.43Å; R9-Y97 PolarHBondContact NE-O 2.98Å; R9-L98 HydrophobicContact CB-CD2 4.25Å
10Q89.3Confident84.6Confident90 Ų9062.7 Ų62.742%0.42132%0.319SS..Hα-helixtrans-60.1-43.2-179.8-175.7177.811.300111.6S6 V7 I13 Q14S6-Q10 WeakPolarHBondContact O-CB 3.42Å; S6-Q10 PolarHBondContact O-N 3.48Å; V7-Q10 PolarHBondContact O-N 2.98Å; V7-Q10 VanDerWaalsContact O-N 3.13Å; Q10-I13 PolarHBondContact O-N 3.48Å; Q10-Q14 HydrophobicContact CG-CG 4.45Å; Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.46Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.4Å; Q10-Q14 PolarHBondContact O-N 2.99Å
11Y89.8Confident84.6Confident33 Ų3366.3 Ų66.313%0.12933%0.333CS..Hα-helixtrans-67-39.6177.8-85.9-113.7000112V7 L8 R9 Q14 K15 K16 I18 F27 G28V7-Y11 HydrophobicContact CG1-CD2 3.89Å; V7-Y11 HydrophobicContact CG1-CE2 3.87Å; V7-Y11 VanDerWaalsContact O-CD2 3.29Å; V7-Y11 WeakPolarHBondContact O-CD2 3.42Å; V7-Y11 PolarHBondContact O-N 3.33Å; L8-Y11 PolarHBondContact O-N 2.89Å; R9-Y11 VanDerWaalsContact C-N 3.31Å; R9-Y11 PolarHBondContact O-N 2.82Å; Y11-Q14 PolarHBondContact O-N 3.31Å; Y11-K15 WeakPolarHBondContact O-CA 3.39Å; Y11-K15 PolarHBondContact O-N 3.37Å; Y11-K16 HydrophobicContact CD1-CB 3.49Å; Y11-K16 VanDerWaalsContact CD1-CB 3.49Å; Y11-K16 HydrophobicContact CD1-CD 4.31Å; Y11-K16 HydrophobicContact CE1-CB 3.95Å; Y11-K16 HydrophobicContact CE1-CD 4.21Å; Y11-K16 HydrophobicContact CG-CB 4.11Å; Y11-K16 PolarHBondContact O-N 3.48Å; Y11-I18 HydrophobicContact CD1-CG1 4.23Å; Y11-F27 HydrophobicContact CD1-CB 4.31Å; Y11-F27 HydrophobicContact CD1-CD1 4.02Å; Y11-F27 HydrophobicContact CD2-CB 4.31Å; Y11-F27 HydrophobicContact CD2-CD1 4.13Å; Y11-F27 HydrophobicContact CE1-CB 3.93Å; Y11-F27 HydrophobicContact CE1-CD1 4.49Å; Y11-F27 HydrophobicContact CE2-CB 3.9Å; Y11-F27 AromaticContact CG-CD1 3.84Å; Y11-F27 HydrophobicContact CG-CD1 3.84Å; Y11-F27 PolarHBondContact OH-O 3.08Å; Y11-G28 PolarHBondContact OH-N 3.01Å
12N89.3Confident86.3Confident17 Ų1760.3 Ų60.39%0.09132%0.321CS..Hα-helixtrans-66.8-39.6176.2-177.245000112.8L8 R9 K15 L64 L98 N99L8-N12 WeakPolarHBondContact O-CB 3.43Å; L8-N12 PolarHBondContact O-N 3.04Å; R9-N12 PolarHBondContact O-N 3.49Å; N12-K15 VanDerWaalsContact O-CD 3.31Å; N12-K15 WeakPolarHBondContact O-CD 3.42Å; N12-K15 VanDerWaalsContact O-CE 3.3Å; N12-K15 WeakPolarHBondContact O-CE 3.45Å; N12-K15 PolarHBondContact O-N 2.9Å; N12-K15 PolarHBondContact O-NZ 3.36Å; N12-K15 PolarHBondContact OD1-NZ 2.95Å; N12-L64 HydrophobicContact CB-CD2 4.14Å; N12-L98 PolarHBondContact ND2-O 2.77Å; N12-N99 PolarHBondContact ND2-OD1 3.15Å
13I89.9Confident87.2Confident74 Ų7462.5 Ų62.538%0.37932%0.324SS..Hα-helixtrans-67.6-43.5176.6-68.8169.6000110.6R9 Q10 K15R9-I13 HydrophobicContact CG-CD1 3.63Å; R9-I13 HydrophobicContact CG-CG1 4.35Å; R9-I13 VanDerWaalsContact NH1-CD1 3.33Å; R9-I13 WeakPolarHBondContact O-CB 3.44Å; R9-I13 VanDerWaalsContact O-CG1 3.28Å; R9-I13 WeakPolarHBondContact O-CG1 3.5Å; R9-I13 PolarHBondContact O-N 3.46Å; Q10-I13 PolarHBondContact O-N 3.48Å; I13-K15 PolarHBondContact O-N 3.21Å
14Q89.4Confident87.4Confident90 Ų9064.5 Ų64.542%0.42133%0.333SS..THydrogen-bonded Turntrans-79.5-1.7179.6-65.8-179.4-6.700113.2Q10 Y11 K16Q10-Q14 HydrophobicContact CG-CG 4.45Å; Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.46Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.4Å; Q10-Q14 PolarHBondContact O-N 2.99Å; Y11-Q14 PolarHBondContact O-N 3.31Å; Q14-K16 HydrophobicContact CB-CD 4.09Å; Q14-K16 HydrophobicContact CB-CG 3.91Å; Q14-K16 PolarHBondContact O-N 2.59Å; Q14-K16 VanDerWaalsContact O-N 3.15Å
15K86.9Confident87.5Confident157 Ų15764.2 Ų64.268%0.68333%0.332SS*.THydrogen-bonded Turntrans48.139.5-174.8-59.3-65.1173-162.40112.8Y11 N12 I13Y11-K15 WeakPolarHBondContact O-CA 3.39Å; Y11-K15 PolarHBondContact O-N 3.37Å; N12-K15 VanDerWaalsContact O-CD 3.31Å; N12-K15 WeakPolarHBondContact O-CD 3.42Å; N12-K15 VanDerWaalsContact O-CE 3.3Å; N12-K15 WeakPolarHBondContact O-CE 3.45Å; N12-K15 PolarHBondContact O-N 2.9Å; N12-K15 PolarHBondContact O-NZ 3.36Å; N12-K15 PolarHBondContact OD1-NZ 2.95Å; I13-K15 PolarHBondContact O-N 3.21Å
16K87.3Confident87.4Confident106 Ų10665.5 Ų65.546%0.46134%0.338SS..  trans-80.9149.8174.9-73.4179.6172173.90110.3Y11 Q14 I18Y11-K16 HydrophobicContact CD1-CB 3.49Å; Y11-K16 VanDerWaalsContact CD1-CB 3.49Å; Y11-K16 HydrophobicContact CD1-CD 4.31Å; Y11-K16 HydrophobicContact CE1-CB 3.95Å; Y11-K16 HydrophobicContact CE1-CD 4.21Å; Y11-K16 HydrophobicContact CG-CB 4.11Å; Y11-K16 PolarHBondContact O-N 3.48Å; Q14-K16 HydrophobicContact CB-CD 4.09Å; Q14-K16 HydrophobicContact CB-CG 3.91Å; Q14-K16 PolarHBondContact O-N 2.59Å; Q14-K16 VanDerWaalsContact O-N 3.15Å; K16-I18 PolarHBondContact O-N 3.12Å
17E83.4Confident87.4Confident162 Ų16264 Ų6476%0.75733%0.327SS*.  trans-65.5132.3179-167178.7-172.100111.2V19E17-V19 HydrophobicContact CG-CG2 4.01Å
18I89.1Confident87.2Confident46 Ų4665.9 Ų65.924%0.23635%0.35CS..  trans-114.5115.3173.8-58.6164.9000106.4L8 Y11 K16 V25 F27 L61L8-I18 HydrophobicContact CD1-CD1 3.64Å; Y11-I18 HydrophobicContact CD1-CG1 4.23Å; K16-I18 PolarHBondContact O-N 3.12Å; I18-V25 HydrophobicContact CG2-CG1 3.6Å; I18-F27 HydrophobicContact CB-CE1 4.43Å; I18-F27 HydrophobicContact CD1-CE1 3.99Å; I18-F27 HydrophobicContact CG1-CD1 4Å; I18-F27 HydrophobicContact CG1-CE1 3.89Å; I18-F27 HydrophobicContact CG2-CD1 4.12Å; I18-F27 HydrophobicContact CG2-CE1 3.69Å; I18-F27 HydrophobicContact CG2-CZ 4.13Å; I18-L61 HydrophobicContact CD1-CD1 4.42Å; I18-L61 HydrophobicContact CG2-CD1 4.19Å
19V86.4Confident86.8Confident45 Ų4570.7 Ų70.727%0.27337%0.372SS..EExtended strand (participates in β ladder)trans-101113.3-174.5178.50000109.2E17 K21 I26E17-V19 HydrophobicContact CG-CG2 4.01Å; V19-K21 HydrophobicContact CG1-CD 4.17Å; V19-K21 HydrophobicContact CG1-CG 3.88Å; V19-I26 HydrophobicContact CB-CB 4.29Å; V19-I26 HydrophobicContact CG1-CD1 4.5Å; V19-I26 PolarHBondContact N-O 3.27Å; V19-I26 VanDerWaalsContact N-O 3.12Å; V19-I26 WeakPolarHBondContact O-CB 3.43Å; V19-I26 PolarHBondContact O-N 3.49Å
20A84.8Confident86.6Confident56 Ų5671.9 Ų71.946%0.46338%0.379SS..EExtended strand (participates in β ladder)trans-92.7109.8170.700000109.5
21K83Confident86.4Confident140 Ų14067.6 Ų67.661%0.60936%0.359SS*.EExtended strand (participates in β ladder)trans-119114.5177.5-87.3-178.1-179.8-174.80109.6V19 D23 E24 I26V19-K21 HydrophobicContact CG1-CD 4.17Å; V19-K21 HydrophobicContact CG1-CG 3.88Å; K21-D23 PolarHBondContact O-N 3.49Å; K21-E24 PolarHBondContact N-O 3.05Å; K21-E24 PolarHBondContact O-N 3.44Å; K21-I26 HydrophobicContact CB-CD1 4.41Å; K21-I26 HydrophobicContact CD-CD1 4.3Å
22G83.4Confident86.3Confident67 Ų6766.5 Ų66.569%0.69136%0.355SS*.THydrogen-bonded Turntrans59.4-120.8-178.700000111.7K34G22-K34 WeakPolarHBondContact O-CE 3.16Å; G22-K34 PolarHBondContact O-NZ 3.5Å
23D84.4Confident86.4Confident100 Ų10067.4 Ų67.454%0.53536%0.362SS..THydrogen-bonded Turntrans-957.7178.8-16130.1000113.6K21 P33 K34K21-D23 PolarHBondContact O-N 3.49Å; D23-P33 CarbonylContact O-C 3.5Å; D23-P33 WeakPolarHBondContact O-CA 3.3Å; D23-K34 PolarHBondContact O-N 3.33Å
24E87.6Confident86.3Confident64 Ų6466.2 Ų66.230%0.29935%0.354SS..EExtended strand (participates in β ladder)trans-118.3146-178.4-63.1-172.7100.300112.6K21 S31 W32 R120K21-E24 PolarHBondContact N-O 3.05Å; K21-E24 PolarHBondContact O-N 3.44Å; E24-S31 PolarHBondContact OE1-OG 3.17Å; E24-W32 CarbonylContact C-O 3.59Å; E24-W32 WeakPolarHBondContact CA-O 3.37Å; E24-R120 IonicContact OE1-NH2 2.78Å; E24-R120 PolarHBondContact OE1-NH2 2.81Å; E24-R120 IonicContact OE2-CZ 3.31Å; E24-R120 VanDerWaalsContact OE2-CZ 3.29Å; E24-R120 IonicContact OE2-NH1 3.82Å; E24-R120 PolarHBondContact OE2-NH1 3.47Å; E24-R120 IonicContact OE2-NH2 3.05Å; E24-R120 PolarHBondContact OE2-NH2 3.38Å
25V88.1Confident86.3Confident0 Ų066.9 Ų66.90%036%0.36CS..EExtended strand (participates in β ladder)trans-112.9122172.7-172.70000108.6I18 F27 W32 K34 L57 L61I18-V25 HydrophobicContact CG2-CG1 3.6Å; V25-F27 HydrophobicContact CB-CE2 4.13Å; V25-F27 HydrophobicContact CG1-CD2 4.27Å; V25-F27 HydrophobicContact CG1-CE1 4.37Å; V25-F27 HydrophobicContact CG1-CE2 3.53Å; V25-F27 HydrophobicContact CG1-CZ 3.58Å; V25-W32 PolarHBondContact N-O 2.73Å; V25-W32 PolarHBondContact O-N 3.21Å; V25-K34 HydrophobicContact CG2-CG 3.65Å; V25-L57 HydrophobicContact CB-CD2 3.7Å; V25-L57 HydrophobicContact CG1-CD2 4.13Å; V25-L57 HydrophobicContact CG2-CD2 3.79Å; V25-L57 HydrophobicContact CG2-CG 4.33Å; V25-L61 HydrophobicContact CG1-CD2 3.98Å; V25-L61 HydrophobicContact CG2-CD2 4.03Å
26I88.1Confident86.4Confident27 Ų2759.4 Ų59.414%0.13833%0.328CS..EExtended strand (participates in β ladder)trans-107.2125.4-173.7-55.2168.2000109.4V19 K21 G28 F30V19-I26 HydrophobicContact CB-CB 4.29Å; V19-I26 HydrophobicContact CG1-CD1 4.5Å; V19-I26 PolarHBondContact N-O 3.27Å; V19-I26 VanDerWaalsContact N-O 3.12Å; V19-I26 WeakPolarHBondContact O-CB 3.43Å; V19-I26 PolarHBondContact O-N 3.49Å; K21-I26 HydrophobicContact CB-CD1 4.41Å; K21-I26 HydrophobicContact CD-CD1 4.3Å; I26-G28 WeakPolarHBondContact CG2-O 3.08Å; I26-F30 WeakPolarHBondContact CA-O 3.37Å
27F87.5Confident86.6Confident0 Ų060.2 Ų60.20%033%0.331CS..EExtended strand (participates in β ladder)trans-11785173.5-57.4-89.9000108.6V4 V7 L8 Y11 I18 V25 E29 F30 W32 L57V4-F27 HydrophobicContact CG2-CE2 4.43Å; V7-F27 HydrophobicContact CG1-CB 3.83Å; V7-F27 HydrophobicContact CG1-CD1 4.11Å; V7-F27 HydrophobicContact CG1-CD2 4.39Å; V7-F27 HydrophobicContact CG1-CG 3.86Å; L8-F27 HydrophobicContact CB-CE1 4.11Å; L8-F27 HydrophobicContact CB-CZ 4.17Å; L8-F27 HydrophobicContact CD1-CE1 3.68Å; L8-F27 HydrophobicContact CD1-CZ 3.97Å; Y11-F27 HydrophobicContact CD1-CB 4.31Å; Y11-F27 HydrophobicContact CD1-CD1 4.02Å; Y11-F27 HydrophobicContact CD2-CB 4.31Å; Y11-F27 HydrophobicContact CD2-CD1 4.13Å; Y11-F27 HydrophobicContact CE1-CB 3.93Å; Y11-F27 HydrophobicContact CE1-CD1 4.49Å; Y11-F27 HydrophobicContact CE2-CB 3.9Å; Y11-F27 AromaticContact CG-CD1 3.84Å; Y11-F27 HydrophobicContact CG-CD1 3.84Å; Y11-F27 PolarHBondContact OH-O 3.08Å; I18-F27 HydrophobicContact CB-CE1 4.43Å; I18-F27 HydrophobicContact CD1-CE1 3.99Å; I18-F27 HydrophobicContact CG1-CD1 4Å; I18-F27 HydrophobicContact CG1-CE1 3.89Å; I18-F27 HydrophobicContact CG2-CD1 4.12Å; I18-F27 HydrophobicContact CG2-CE1 3.69Å; I18-F27 HydrophobicContact CG2-CZ 4.13Å; V25-F27 HydrophobicContact CB-CE2 4.13Å; V25-F27 HydrophobicContact CG1-CD2 4.27Å; V25-F27 HydrophobicContact CG1-CE1 4.37Å; V25-F27 HydrophobicContact CG1-CE2 3.53Å; V25-F27 HydrophobicContact CG1-CZ 3.58Å; F27-E29 PolarHBondContact O-N 3.06Å; F27-F30 PolarHBondContact N-O 3.22Å; F27-F30 PolarHBondContact O-N 3.14Å; F27-F30 VanDerWaalsContact O-N 3.09Å; F27-W32 HydrophobicContact CB-CZ3 4.17Å; F27-W32 AromaticContact CD2-CE3 3.45Å; F27-W32 HydrophobicContact CD2-CE3 3.45Å; F27-W32 VanDerWaalsContact CD2-CE3 3.45Å; F27-W32 AromaticContact CD2-CZ3 3.45Å; F27-W32 HydrophobicContact CD2-CZ3 3.45Å; F27-W32 VanDerWaalsContact CD2-CZ3 3.45Å; F27-W32 AromaticContact CE2-CE3 3.83Å; F27-W32 HydrophobicContact CE2-CE3 3.83Å; F27-W32 HydrophobicContact CE2-CZ3 4.16Å; F27-W32 HydrophobicContact CG-CZ3 4.14Å; F27-L57 HydrophobicContact CE2-CD2 4.01Å; F27-L57 HydrophobicContact CZ-CD1 4.21Å; F27-L57 HydrophobicContact CZ-CD2 4.31Å
28G84.6Confident87Confident53 Ų5352.8 Ų52.855%0.54630%0.297SS..THydrogen-bonded Turntrans60.5-108.4-17600000111.7Y11 I26Y11-G28 PolarHBondContact OH-N 3.01Å; I26-G28 WeakPolarHBondContact CG2-O 3.08Å
29E81.8Confident87Confident100 Ų10051 Ų5147%0.46729%0.288SS..THydrogen-bonded Turntrans-86.3-12.3-178.9-60.4-177.9-179.600114F27 R120F27-E29 PolarHBondContact O-N 3.06Å; E29-R120 PolarHBondContact O-N 2.68Å
30F85.2Confident87.1Confident82 Ų8249 Ų4936%0.3628%0.275SS..EExtended strand (participates in β ladder)trans-105138.6-176-59.7-74.9000111.7I26 F27 W32I26-F30 WeakPolarHBondContact CA-O 3.37Å; F27-F30 PolarHBondContact N-O 3.22Å; F27-F30 PolarHBondContact O-N 3.14Å; F27-F30 VanDerWaalsContact O-N 3.09Å; F30-W32 HydrophobicContact CB-CE3 4.09Å; F30-W32 HydrophobicContact CB-CH2 3.4Å; F30-W32 VanDerWaalsContact CB-CH2 3.4Å; F30-W32 HydrophobicContact CB-CZ2 4.38Å; F30-W32 HydrophobicContact CB-CZ3 3.24Å; F30-W32 HydrophobicContact CD1-CH2 4.49Å; F30-W32 AromaticContact CG-CH2 3.92Å; F30-W32 HydrophobicContact CG-CH2 3.92Å; F30-W32 HydrophobicContact CG-CZ3 4.23Å
31S85Confident87.4Confident1 Ų147.8 Ų47.81%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-122.2138175.1-166.90000110.6E24 L118 R120E24-S31 PolarHBondContact OE1-OG 3.17Å; S31-L118 PolarHBondContact N-O 2.81Å; S31-L118 PolarHBondContact O-N 2.77Å; S31-R120 PolarHBondContact OG-NE 3.31Å; S31-R120 PolarHBondContact OG-NH2 2.87Å
32W88.4Confident87.8Confident9 Ų942.1 Ų42.13%0.03424%0.237CC..EExtended strand (participates in β ladder)trans-129.9147.8168.3-71.6-94.2000110.5V4 V7 E24 V25 F27 F30 V36 L57 E115 G117V4-W32 HydrophobicContact CB-CD2 4.18Å; V4-W32 HydrophobicContact CB-CG 4.29Å; V4-W32 HydrophobicContact CB-CZ2 4.39Å; V4-W32 HydrophobicContact CG2-CB 4.16Å; V4-W32 HydrophobicContact CG2-CD2 3.6Å; V4-W32 HydrophobicContact CG2-CE3 4.03Å; V4-W32 HydrophobicContact CG2-CG 3.66Å; V7-W32 HydrophobicContact CB-CH2 4.25Å; V7-W32 HydrophobicContact CG1-CH2 4.09Å; V7-W32 HydrophobicContact CG1-CZ3 4.09Å; V7-W32 HydrophobicContact CG2-CH2 3.98Å; E24-W32 CarbonylContact C-O 3.59Å; E24-W32 WeakPolarHBondContact CA-O 3.37Å; V25-W32 PolarHBondContact N-O 2.73Å; V25-W32 PolarHBondContact O-N 3.21Å; F27-W32 HydrophobicContact CB-CZ3 4.17Å; F27-W32 AromaticContact CD2-CE3 3.45Å; F27-W32 HydrophobicContact CD2-CE3 3.45Å; F27-W32 VanDerWaalsContact CD2-CE3 3.45Å; F27-W32 AromaticContact CD2-CZ3 3.45Å; F27-W32 HydrophobicContact CD2-CZ3 3.45Å; F27-W32 VanDerWaalsContact CD2-CZ3 3.45Å; F27-W32 AromaticContact CE2-CE3 3.83Å; F27-W32 HydrophobicContact CE2-CE3 3.83Å; F27-W32 HydrophobicContact CE2-CZ3 4.16Å; F27-W32 HydrophobicContact CG-CZ3 4.14Å; F30-W32 HydrophobicContact CB-CE3 4.09Å; F30-W32 HydrophobicContact CB-CH2 3.4Å; F30-W32 VanDerWaalsContact CB-CH2 3.4Å; F30-W32 HydrophobicContact CB-CZ2 4.38Å; F30-W32 HydrophobicContact CB-CZ3 3.24Å; F30-W32 HydrophobicContact CD1-CH2 4.49Å; F30-W32 AromaticContact CG-CH2 3.92Å; F30-W32 HydrophobicContact CG-CH2 3.92Å; F30-W32 HydrophobicContact CG-CZ3 4.23Å; W32-V36 HydrophobicContact CB-CG1 4.02Å; W32-L57 HydrophobicContact CB-CD2 4.13Å; W32-E115 PolarHBondContact NE1-O 3.09Å; W32-G117 VanDerWaalsContact CZ2-CA 3.49Å
33P89.7Confident88Confident37 Ų3745.2 Ų45.224%0.2423%0.228CC..EExtended strand (participates in β ladder)trans-68148.3170.831.1-34.4000110.2D23 N35 V36D23-P33 CarbonylContact O-C 3.5Å; D23-P33 WeakPolarHBondContact O-CA 3.3Å; P33-N35 WeakPolarHBondContact CB-OD1 3.38Å; P33-N35 WeakPolarHBondContact CG-OD1 3.03Å; P33-N35 PolarHBondContact O-N 3.4Å; P33-V36 HydrophobicContact CG-CB 4.19Å; P33-V36 WeakPolarHBondContact O-CB 3.31Å; P33-V36 WeakPolarHBondContact O-CG1 3.33Å; P33-V36 PolarHBondContact O-N 3.13Å; P33-V36 VanDerWaalsContact O-N 3.1Å
34K88.9Confident88Confident49 Ų4942.3 Ų42.321%0.21322%0.222CC..THydrogen-bonded Turntrans-57.1-34.9178.8-81.6179.9175.6174.90112.8G22 D23 V25 V36 D58G22-K34 WeakPolarHBondContact O-CE 3.16Å; G22-K34 PolarHBondContact O-NZ 3.5Å; D23-K34 PolarHBondContact O-N 3.33Å; V25-K34 HydrophobicContact CG2-CG 3.65Å; K34-V36 PolarHBondContact O-N 3.33Å; K34-D58 HydrophobicContact CB-CB 3.94Å; K34-D58 HydrophobicContact CG-CB 4.44Å; K34-D58 WeakPolarHBondContact O-CB 2.97Å; K34-D58 PolarHBondContact O-N 3.15Å
35N88.7Confident87.8Confident103 Ų10340.3 Ų40.355%0.55121%0.214SC*.THydrogen-bonded Turntrans-75.9-2-179.870.95.5000114.8P33 K37P33-N35 WeakPolarHBondContact CB-OD1 3.38Å; P33-N35 WeakPolarHBondContact CG-OD1 3.03Å; P33-N35 PolarHBondContact O-N 3.4Å; N35-K37 PolarHBondContact O-N 3.4Å
36V90.2Very high87Confident1 Ų142.1 Ų42.11%0.00623%0.232CC..  trans-58130.9-179.566.70000110.5V4 W32 P33 K34 T56 L57 E115V4-V36 HydrophobicContact CG1-CG1 4.29Å; V4-V36 HydrophobicContact CG1-CG2 4.44Å; V4-V36 HydrophobicContact CG2-CG1 4.25Å; W32-V36 HydrophobicContact CB-CG1 4.02Å; P33-V36 HydrophobicContact CG-CB 4.19Å; P33-V36 WeakPolarHBondContact O-CB 3.31Å; P33-V36 WeakPolarHBondContact O-CG1 3.33Å; P33-V36 PolarHBondContact O-N 3.13Å; P33-V36 VanDerWaalsContact O-N 3.1Å; K34-V36 PolarHBondContact O-N 3.33Å; V36-T56 CarbonylContact O-C 3.59Å; V36-T56 WeakPolarHBondContact O-CA 3.27Å; V36-L57 HydrophobicContact CG1-CB 3.39Å; V36-L57 HydrophobicContact CG1-CD2 3.84Å; V36-L57 HydrophobicContact CG1-CG 4.24Å; V36-L57 PolarHBondContact O-N 3.13Å; V36-E115 HydrophobicContact CG2-CB 3.74Å; V36-E115 HydrophobicContact CG2-CG 4.15Å; V36-E115 VanDerWaalsContact CG2-OE2 3.3Å; V36-E115 WeakPolarHBondContact CG2-OE2 3.38Å
37K90.7Very high86.4Confident123 Ų12346.8 Ų46.854%0.53525%0.252SS..EExtended strand (participates in β ladder)trans-76.4129.4174.6-68.7-173.2179.7-176.60109.8N35N35-K37 PolarHBondContact O-N 3.4Å
38T91Very high85.4Confident5 Ų556.3 Ų56.33%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-81.1-176.3173.8700000111.1V4 Y40 Y54 Y55 I60V4-T38 HydrophobicContact CG1-CG2 4.09Å; T38-Y40 PolarHBondContact OG1-N 2.82Å; T38-Y54 WeakPolarHBondContact O-CB 3.26Å; T38-Y55 WeakPolarHBondContact CB-O 3.34Å; T38-Y55 WeakPolarHBondContact CG2-O 3.26Å; T38-Y55 PolarHBondContact N-O 3.16Å; T38-Y55 PolarHBondContact OG1-O 2.89Å; T38-I60 HydrophobicContact CG2-CD1 3.78Å
39N89.4Confident84.6Confident9 Ų957.7 Ų57.75%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-94.19.3172.757.5-2.1000113D3 L5 I108 D109 A112D3-N39 PolarHBondContact OD2-ND2 2.97Å; L5-N39 VanDerWaalsContact CB-OD1 3.27Å; L5-N39 WeakPolarHBondContact CB-OD1 3.17Å; L5-N39 WeakPolarHBondContact CD2-OD1 3.41Å; N39-I108 WeakPolarHBondContact O-CA 3.34Å; N39-D109 WeakPolarHBondContact CB-O 3.49Å; N39-D109 PolarHBondContact O-N 3.43Å; N39-A112 HydrophobicContact CB-CB 3.98Å
40Y89.9Confident84.4Confident2 Ų259.7 Ų59.71%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-92.3116.3178.6-156-77.5000111.1L5 T38 Y54 Y55 D90 L94 S105 I108L5-Y40 HydrophobicContact CD2-CD2 4.06Å; T38-Y40 PolarHBondContact OG1-N 2.82Å; Y40-Y54 VanDerWaalsContact O-CA 3.27Å; Y40-Y54 WeakPolarHBondContact O-CA 3.22Å; Y40-Y55 AromaticContact CD1-CD2 3.72Å; Y40-Y55 HydrophobicContact CD1-CD2 3.72Å; Y40-Y55 AromaticContact CD1-CE2 3.87Å; Y40-Y55 HydrophobicContact CD1-CE2 3.87Å; Y40-Y55 HydrophobicContact CE1-CE2 4.29Å; Y40-Y55 HydrophobicContact CG-CD2 4.45Å; Y40-Y55 PolarHBondContact O-N 2.97Å; Y40-D90 HydrophobicContact CE1-CB 3.95Å; Y40-L94 HydrophobicContact CD2-CD1 3.56Å; Y40-L94 HydrophobicContact CE1-CB 4.38Å; Y40-L94 HydrophobicContact CE2-CB 4.05Å; Y40-L94 HydrophobicContact CE2-CD1 3.66Å; Y40-L94 HydrophobicContact CE2-CG 4.44Å; Y40-L94 HydrophobicContact CG-CD1 4.01Å; Y40-L94 PolarHBondContact OH-N 3.5Å; Y40-S105 PolarHBondContact OH-OG 3.28Å; Y40-I108 HydrophobicContact CD2-CD1 4.36Å; Y40-I108 HydrophobicContact CD2-CG1 3.68Å; Y40-I108 HydrophobicContact CE2-CG1 4.07Å
41I90.3Very high84.2Confident32 Ų3260.4 Ų60.416%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-70.2137.3-177.9-61.6164.1000110.5K52 E53 Y54 S107 D109I41-K52 HydrophobicContact CD1-CD 4.26Å; I41-E53 WeakPolarHBondContact CA-O 3.08Å; I41-Y54 HydrophobicContact CG1-CD1 4Å; I41-Y54 HydrophobicContact CG1-CE1 3.59Å; I41-S107 WeakPolarHBondContact CB-O 3.26Å; I41-S107 WeakPolarHBondContact CG1-O 3.01Å; I41-S107 PolarHBondContact N-O 2.93Å; I41-D109 HydrophobicContact CD1-CB 3.89Å; I41-D109 HydrophobicContact CG1-CB 4.05Å
42I91.3Very high84.3Confident21 Ų2165.4 Ų65.411%0.10835%0.354CS..PPolyproline II helixtrans-74124.7173-57.8-178.3000109.9G44 T45 E53 Y55 R87I42-G44 PolarHBondContact O-N 3.1Å; I42-T45 HydrophobicContact CB-CG2 3.94Å; I42-T45 HydrophobicContact CG2-CG2 4.09Å; I42-T45 WeakPolarHBondContact O-CB 3.46Å; I42-T45 PolarHBondContact O-N 3.26Å; I42-T45 VanDerWaalsContact O-N 3.08Å; I42-T45 PolarHBondContact O-OG1 3.16Å; I42-E53 HydrophobicContact CD1-CB 3.93Å; I42-E53 HydrophobicContact CG1-CB 4.37Å; I42-E53 PolarHBondContact N-O 3.32Å; I42-Y55 HydrophobicContact CB-CE1 4.41Å; I42-Y55 HydrophobicContact CB-CE2 4.23Å; I42-Y55 HydrophobicContact CD1-CD1 4.14Å; I42-Y55 HydrophobicContact CD1-CE1 4.21Å; I42-Y55 HydrophobicContact CG1-CD1 3.84Å; I42-Y55 HydrophobicContact CG1-CD2 3.93Å; I42-Y55 HydrophobicContact CG1-CE1 3.78Å; I42-Y55 HydrophobicContact CG1-CE2 3.9Å; I42-Y55 HydrophobicContact CG1-CG 3.91Å; I42-Y55 HydrophobicContact CG2-CE1 4.18Å; I42-R87 HydrophobicContact CG2-CG 4.34Å; I42-R87 VanDerWaalsContact CG2-NE 3.28Å
43W88.2Confident84.3Confident131 Ų13169.6 Ų69.650%0.49637%0.374SS..THydrogen-bonded Turntrans-52.9128178-179.1-105.9000112.6R87 P89 D90W43-R87 VanDerWaalsContact O-CD 3.27Å; W43-R87 WeakPolarHBondContact O-CD 3.47Å; W43-R87 PolarHBondContact O-NH1 3.18Å; W43-P89 HydrophobicContact CB-CB 4.42Å; W43-P89 HydrophobicContact CD2-CB 4.13Å; W43-P89 HydrophobicContact CG-CB 3.87Å; W43-P89 HydrophobicContact CG-CG 4.13Å; W43-D90 WeakPolarHBondContact CB-OD1 3.34Å; W43-D90 WeakPolarHBondContact CB-OD2 3.02Å; W43-D90 PolarHBondContact N-OD2 2.89Å
44G83.1Confident84.4Confident40 Ų4069.6 Ų69.641%0.41237%0.37SS..THydrogen-bonded Turntrans92.1-3.318000000114.5I42I42-G44 PolarHBondContact O-N 3.1Å
45T83.1Confident84.6Confident22 Ų2267.5 Ų67.514%0.13536%0.361CS..  trans-92.7159.2170.670.80000110.9I42 K47 E53I42-T45 HydrophobicContact CB-CG2 3.94Å; I42-T45 HydrophobicContact CG2-CG2 4.09Å; I42-T45 WeakPolarHBondContact O-CB 3.46Å; I42-T45 PolarHBondContact O-N 3.26Å; I42-T45 VanDerWaalsContact O-N 3.08Å; I42-T45 PolarHBondContact O-OG1 3.16Å; T45-K47 VanDerWaalsContact C-N 3.31Å; T45-K47 PolarHBondContact O-N 3.5Å; T45-E53 HydrophobicContact CG2-CB 4.02Å; T45-E53 HydrophobicContact CG2-CG 4.17Å; T45-E53 PolarHBondContact OG1-N 2.99Å
46G73.1Confident84.8Confident37 Ų3763.9 Ų63.938%0.38134%0.342SS..SBendtrans75.98.9-179.200000116.2Q50G46-Q50 WeakPolarHBondContact CA-O 3.48Å
47K75.6Confident84.8Confident125 Ų12563.9 Ų63.954%0.54334%0.342SS..SBendtrans-96.8151170.8-62.7-175.3179.6-177.20109.6T45 G49 Q50T45-K47 VanDerWaalsContact C-N 3.31Å; T45-K47 PolarHBondContact O-N 3.5Å; K47-G49 VanDerWaalsContact C-N 3.27Å; K47-G49 PolarHBondContact O-N 3.13Å; K47-Q50 PolarHBondContact O-N 3.43Å
48E65.4Low84.9Confident201 Ų20159.8 Ų59.894%0.93933%0.326SS*.THydrogen-bonded Turntrans57.130.8175.6-58.4-179.7179.700115.6Q50E48-Q50 VanDerWaalsContact C-N 3.3Å; E48-Q50 PolarHBondContact O-N 3.09Å
49G68.1Low85Confident82 Ų8259.6 Ų59.685%0.84533%0.325SS*.THydrogen-bonded Turntrans79.94.6176.800000115.3K47K47-G49 VanDerWaalsContact C-N 3.27Å; K47-G49 PolarHBondContact O-N 3.13Å
50Q76.8Confident85.1Confident142 Ų14259.1 Ų59.166%0.66432%0.323SS*.PPolyproline II helixtrans-73.7149.8170.3-67.7-151.80.900112.1G46 K47 E48G46-Q50 WeakPolarHBondContact CA-O 3.48Å; K47-Q50 PolarHBondContact O-N 3.43Å; E48-Q50 VanDerWaalsContact C-N 3.3Å; E48-Q50 PolarHBondContact O-N 3.09Å
51P82Confident85.2Confident97 Ų9759.5 Ų59.563%0.6333%0.325SS*.PPolyproline II helixtrans-62145.8178.526.2-34000111.5
52K86.3Confident85.3Confident105 Ų10559.1 Ų59.146%0.45732%0.322SS..PPolyproline II helixtrans-70.1131.1170.1-65.1179.4179.6178.10109I41 Y54 D109I41-K52 HydrophobicContact CD1-CD 4.26Å; K52-Y54 HydrophobicContact CB-CE2 4.4Å; K52-D109 IonicContact NZ-OD2 3.89Å; K52-D109 PolarHBondContact NZ-OD2 2.89Å
53E89.3Confident85.4Confident97 Ų9758.1 Ų58.145%0.45332%0.317SS..  trans-110.1153.5171.2-55.8-169.5154.100110.4I41 I42 T45I41-E53 WeakPolarHBondContact CA-O 3.08Å; I42-E53 HydrophobicContact CD1-CB 3.93Å; I42-E53 HydrophobicContact CG1-CB 4.37Å; I42-E53 PolarHBondContact N-O 3.32Å; T45-E53 HydrophobicContact CG2-CB 4.02Å; T45-E53 HydrophobicContact CG2-CG 4.17Å; T45-E53 PolarHBondContact OG1-N 2.99Å
54Y91.4Very high85.5Confident37 Ų3752.9 Ų52.915%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-126.5144-175.5-55.2-83.4000110.4T38 Y40 I41 K52 D109 A112T38-Y54 WeakPolarHBondContact O-CB 3.26Å; Y40-Y54 VanDerWaalsContact O-CA 3.27Å; Y40-Y54 WeakPolarHBondContact O-CA 3.22Å; I41-Y54 HydrophobicContact CG1-CD1 4Å; I41-Y54 HydrophobicContact CG1-CE1 3.59Å; K52-Y54 HydrophobicContact CB-CE2 4.4Å; Y54-D109 HydrophobicContact CE1-CB 3.73Å; Y54-D109 PolarHBondContact OH-OD2 3.43Å; Y54-A112 HydrophobicContact CD1-CB 4.42Å; Y54-A112 HydrophobicContact CE1-CB 3.83Å; Y54-A112 HydrophobicContact CE2-CB 4.34Å
55Y92.8Very high85.9Confident5 Ų556 Ų562%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-65.5145.4175.2-69.8-70.8000111T38 Y40 I42 V86 R87 D90T38-Y55 WeakPolarHBondContact CB-O 3.34Å; T38-Y55 WeakPolarHBondContact CG2-O 3.26Å; T38-Y55 PolarHBondContact N-O 3.16Å; T38-Y55 PolarHBondContact OG1-O 2.89Å; Y40-Y55 AromaticContact CD1-CD2 3.72Å; Y40-Y55 HydrophobicContact CD1-CD2 3.72Å; Y40-Y55 AromaticContact CD1-CE2 3.87Å; Y40-Y55 HydrophobicContact CD1-CE2 3.87Å; Y40-Y55 HydrophobicContact CE1-CE2 4.29Å; Y40-Y55 HydrophobicContact CG-CD2 4.45Å; Y40-Y55 PolarHBondContact O-N 2.97Å; I42-Y55 HydrophobicContact CB-CE1 4.41Å; I42-Y55 HydrophobicContact CB-CE2 4.23Å; I42-Y55 HydrophobicContact CD1-CD1 4.14Å; I42-Y55 HydrophobicContact CD1-CE1 4.21Å; I42-Y55 HydrophobicContact CG1-CD1 3.84Å; I42-Y55 HydrophobicContact CG1-CD2 3.93Å; I42-Y55 HydrophobicContact CG1-CE1 3.78Å; I42-Y55 HydrophobicContact CG1-CE2 3.9Å; I42-Y55 HydrophobicContact CG1-CG 3.91Å; I42-Y55 HydrophobicContact CG2-CE1 4.18Å; Y55-V86 HydrophobicContact CD1-CG2 4.2Å; Y55-V86 HydrophobicContact CE1-CB 4.29Å; Y55-V86 HydrophobicContact CE1-CG1 4.36Å; Y55-V86 HydrophobicContact CE1-CG2 4.25Å; Y55-V86 HydrophobicContact CE2-CG1 4.4Å; Y55-R87 WeakPolarHBondContact OH-CB 3.16Å; Y55-R87 WeakPolarHBondContact OH-CG 3.47Å; Y55-R87 PolarHBondContact OH-N 2.91Å; Y55-D90 HydrophobicContact CE2-CB 4.22Å; Y55-D90 WeakPolarHBondContact CE2-OD2 3.38Å; Y55-D90 PolarHBondContact OH-OD2 3.4Å
56T92.8Very high86.3Confident28 Ų2855.6 Ų55.617%0.17230%0.303CS..EExtended strand (participates in β ladder)trans-77.7159.517260.10000110.9V36 D58 S59 I60V36-T56 CarbonylContact O-C 3.59Å; V36-T56 WeakPolarHBondContact O-CA 3.27Å; T56-D58 PolarHBondContact O-N 3.49Å; T56-S59 PolarHBondContact O-N 3.41Å; T56-S59 PolarHBondContact OG1-N 2.85Å; T56-S59 PolarHBondContact OG1-OG 2.76Å; T56-S59 VanDerWaalsContact OG1-OG 3.07Å; T56-I60 PolarHBondContact O-N 2.85Å
57L91.2Very high87.2Confident0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-58.3-40.9175178.861.4000111.6V4 L8 V25 F27 W32 V36 S59 I60 L61V4-L57 HydrophobicContact CG2-CD1 4.05Å; V4-L57 HydrophobicContact CG2-CD2 3.84Å; V4-L57 HydrophobicContact CG2-CG 4.45Å; L8-L57 HydrophobicContact CD2-CD1 3.91Å; V25-L57 HydrophobicContact CB-CD2 3.7Å; V25-L57 HydrophobicContact CG1-CD2 4.13Å; V25-L57 HydrophobicContact CG2-CD2 3.79Å; V25-L57 HydrophobicContact CG2-CG 4.33Å; F27-L57 HydrophobicContact CE2-CD2 4.01Å; F27-L57 HydrophobicContact CZ-CD1 4.21Å; F27-L57 HydrophobicContact CZ-CD2 4.31Å; W32-L57 HydrophobicContact CB-CD2 4.13Å; V36-L57 HydrophobicContact CG1-CB 3.39Å; V36-L57 HydrophobicContact CG1-CD2 3.84Å; V36-L57 HydrophobicContact CG1-CG 4.24Å; V36-L57 PolarHBondContact O-N 3.13Å; L57-S59 PolarHBondContact O-N 3.49Å; L57-I60 PolarHBondContact O-N 3.29Å; L57-L61 VanDerWaalsContact O-CB 3.3Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 PolarHBondContact O-N 3.27Å
58D92.2Very high87.8Confident37 Ų3757.4 Ų57.420%0.19831%0.307CS..Hα-helixtrans-60.9-44.1179.5-154.924000112.4K34 T56 I60 L61 F62K34-D58 HydrophobicContact CB-CB 3.94Å; K34-D58 HydrophobicContact CG-CB 4.44Å; K34-D58 WeakPolarHBondContact O-CB 2.97Å; K34-D58 PolarHBondContact O-N 3.15Å; T56-D58 PolarHBondContact O-N 3.49Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.12Å; D58-L61 PolarHBondContact O-N 2.83Å; D58-F62 WeakPolarHBondContact O-CB 3.49Å; D58-F62 PolarHBondContact O-N 3.1Å
59S92.7Very high89.1Confident1 Ų149.7 Ų49.71%0.00727%0.272CS..Hα-helixtrans-58.2-41.7176.4-680000112.8T56 L57 L63 P84T56-S59 PolarHBondContact O-N 3.41Å; T56-S59 PolarHBondContact OG1-N 2.85Å; T56-S59 PolarHBondContact OG1-OG 2.76Å; T56-S59 VanDerWaalsContact OG1-OG 3.07Å; L57-S59 PolarHBondContact O-N 3.49Å; S59-L63 PolarHBondContact O-N 2.75Å; S59-P84 VanDerWaalsContact CB-O 3.22Å; S59-P84 WeakPolarHBondContact CB-O 3.14Å; S59-P84 PolarHBondContact OG-O 3.39Å
60I92.6Very high90.2Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-76-41.6-178.4-60.4-177.2000110.8L5 L8 T38 T56 L57 D58 L63 L64 L94 L98L5-I60 HydrophobicContact CD1-CD1 3.65Å; L5-I60 HydrophobicContact CD1-CG2 4.17Å; L8-I60 HydrophobicContact CD2-CB 4.39Å; L8-I60 HydrophobicContact CD2-CG2 3.67Å; T38-I60 HydrophobicContact CG2-CD1 3.78Å; T56-I60 PolarHBondContact O-N 2.85Å; L57-I60 PolarHBondContact O-N 3.29Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.12Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.98Å; I60-L64 PolarHBondContact O-N 3.41Å; I60-L94 HydrophobicContact CD1-CD1 4.25Å; I60-L94 HydrophobicContact CD1-CD2 4.36Å; I60-L94 HydrophobicContact CG1-CD2 4.05Å; I60-L94 HydrophobicContact CG2-CD1 4.31Å; I60-L94 HydrophobicContact CG2-CD2 4.16Å; I60-L98 HydrophobicContact CG2-CD1 3.68Å
61L91.6Very high91Very high10 Ų1044.8 Ų44.85%0.05224%0.235CC..Hα-helixtrans-64.9-41.6177.1-172.566.5000111.2L8 I18 V25 L57 D58 L63 L64 N65L8-L61 HydrophobicContact CD1-CD1 4.01Å; I18-L61 HydrophobicContact CD1-CD1 4.42Å; I18-L61 HydrophobicContact CG2-CD1 4.19Å; V25-L61 HydrophobicContact CG1-CD2 3.98Å; V25-L61 HydrophobicContact CG2-CD2 4.03Å; L57-L61 VanDerWaalsContact O-CB 3.3Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 PolarHBondContact O-N 3.27Å; D58-L61 PolarHBondContact O-N 2.83Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.85Å; L61-L64 WeakPolarHBondContact O-CB 3.47Å; L61-L64 PolarHBondContact O-N 3.42Å; L61-L64 VanDerWaalsContact O-N 3.13Å; L61-N65 PolarHBondContact O-N 2.67Å
62F92.4Very high91.5Very high24 Ų2444.4 Ų44.411%0.10523%0.232CC..Hα-helixtrans-63.4-38.2176-170.8-100.8000112.1D58 N66 Y74 R77 A78 E81 I83D58-F62 WeakPolarHBondContact O-CB 3.49Å; D58-F62 PolarHBondContact O-N 3.1Å; F62-N66 WeakPolarHBondContact O-CB 3.5Å; F62-N66 PolarHBondContact O-N 3.33Å; F62-N66 PolarHBondContact O-ND2 2.57Å; F62-Y74 HydrophobicContact CD1-CD2 4.14Å; F62-Y74 AromaticContact CD1-CE2 3.52Å; F62-Y74 HydrophobicContact CD1-CE2 3.52Å; F62-Y74 HydrophobicContact CE1-CD2 4.06Å; F62-Y74 AromaticContact CE1-CE2 3.88Å; F62-Y74 HydrophobicContact CE1-CE2 3.88Å; F62-R77 HydrophobicContact CE1-CB 4.41Å; F62-R77 HydrophobicContact CZ-CB 4.09Å; F62-R77 HydrophobicContact CZ-CG 3.96Å; F62-A78 HydrophobicContact CD1-CB 3.99Å; F62-A78 VanDerWaalsContact CE1-CA 3.44Å; F62-A78 HydrophobicContact CE1-CB 3.6Å; F62-E81 HydrophobicContact CE2-CB 4.36Å; F62-E81 HydrophobicContact CE2-CG 3.9Å; F62-E81 HydrophobicContact CZ-CG 4.14Å; F62-I83 HydrophobicContact CB-CD1 4.02Å; F62-I83 HydrophobicContact CB-CG2 4.23Å; F62-I83 HydrophobicContact CD2-CD1 3.56Å; F62-I83 HydrophobicContact CE2-CD1 4.15Å; F62-I83 HydrophobicContact CG-CD1 3.78Å
63L93.1Very high91.8Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-62.1-45.2171.1176.167.4000111.4S59 I60 L61 N65 N66 V67 Y74 V86 R91 L94 L95S59-L63 PolarHBondContact O-N 2.75Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.98Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.85Å; L63-N65 VanDerWaalsContact C-N 3.34Å; L63-N65 PolarHBondContact O-N 2.75Å; L63-N66 CarbonylContact O-C 3.37Å; L63-N66 PolarHBondContact O-N 3.33Å; L63-V67 VanDerWaalsContact O-CG1 3.25Å; L63-V67 WeakPolarHBondContact O-CG1 3.46Å; L63-V67 PolarHBondContact O-N 3.38Å; L63-V67 VanDerWaalsContact O-N 3.12Å; L63-Y74 HydrophobicContact CB-CE2 4.01Å; L63-Y74 HydrophobicContact CD1-CD2 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 4.26Å; L63-Y74 HydrophobicContact CD1-CE2 3.93Å; L63-V86 HydrophobicContact CB-CG2 4.2Å; L63-V86 HydrophobicContact CD2-CB 4Å; L63-V86 HydrophobicContact CD2-CG1 4Å; L63-V86 HydrophobicContact CD2-CG2 3.95Å; L63-R91 HydrophobicContact CD1-CG 4.22Å; L63-R91 HydrophobicContact CD2-CG 4.43Å; L63-L94 HydrophobicContact CD2-CD2 3.86Å; L63-L95 HydrophobicContact CD2-CD2 4.24Å; L63-L95 HydrophobicContact CD2-CG 4.34Å; L63-L95 HydrophobicContact CG-CD2 4.31Å
64L90.8Very high92.1Very high21 Ų2136.5 Ų36.511%0.1120%0.201CC..Hα-helixtrans-63.3-38.9-178.3-170.364.4000112.2L8 N12 I60 L61 N66 V67 L98L8-L64 HydrophobicContact CD1-CD2 4.31Å; N12-L64 HydrophobicContact CB-CD2 4.14Å; I60-L64 PolarHBondContact O-N 3.41Å; L61-L64 WeakPolarHBondContact O-CB 3.47Å; L61-L64 PolarHBondContact O-N 3.42Å; L61-L64 VanDerWaalsContact O-N 3.13Å; L64-N66 VanDerWaalsContact C-N 3.31Å; L64-N66 PolarHBondContact O-N 2.76Å; L64-V67 WeakPolarHBondContact O-CG1 3.36Å; L64-L98 HydrophobicContact CD1-CD1 4.46Å
65N90.8Very high92.2Very high106 Ų10637.3 Ų37.357%0.56721%0.209SC*.Hα-helixtrans-71.8-25.7176.8-68.2-15000112.9L61 L63L61-N65 PolarHBondContact O-N 2.67Å; L63-N65 VanDerWaalsContact C-N 3.34Å; L63-N65 PolarHBondContact O-N 2.75Å
66N91.8Very high92.2Very high13 Ų1345.1 Ų45.17%0.0724%0.239CC..THydrogen-bonded Turntrans-113.229.4-176.2-67.5-84.1000113.1F62 L63 L64 H68 L69 Y74 R77F62-N66 WeakPolarHBondContact O-CB 3.5Å; F62-N66 PolarHBondContact O-N 3.33Å; F62-N66 PolarHBondContact O-ND2 2.57Å; L63-N66 CarbonylContact O-C 3.37Å; L63-N66 PolarHBondContact O-N 3.33Å; L64-N66 VanDerWaalsContact C-N 3.31Å; L64-N66 PolarHBondContact O-N 2.76Å; N66-H68 VanDerWaalsContact C-N 3.26Å; N66-H68 PolarHBondContact O-N 3.4Å; N66-L69 HydrophobicContact CB-CD1 4.19Å; N66-L69 PolarHBondContact O-N 2.76Å; N66-Y74 HydrophobicContact CB-CD2 4.1Å; N66-R77 WeakPolarHBondContact OD1-CD 3.46Å; N66-R77 PolarHBondContact OD1-NH1 2.98Å
67V90.8Very high92.2Very high67 Ų6749.5 Ų49.541%0.40625%0.252SS..THydrogen-bonded Turntrans-63-30.3-179.1-70.50000113.8L63 L64 L69 R91 L95L63-V67 VanDerWaalsContact O-CG1 3.25Å; L63-V67 WeakPolarHBondContact O-CG1 3.46Å; L63-V67 PolarHBondContact O-N 3.38Å; L63-V67 VanDerWaalsContact O-N 3.12Å; L64-V67 WeakPolarHBondContact O-CG1 3.36Å; V67-L69 PolarHBondContact O-N 2.96Å; V67-R91 PolarHBondContact O-NH2 3.49Å; V67-L95 HydrophobicContact CG1-CD1 4.35Å; V67-L95 HydrophobicContact CG1-CD2 3.57Å
68H89.7Confident92.3Very high133 Ų13349.5 Ų49.562%0.61625%0.252SS*.THydrogen-bonded Turntrans-70-19.3-179.960.7-84.9000113.1N66N66-H68 VanDerWaalsContact C-N 3.26Å; N66-H68 PolarHBondContact O-N 3.4Å
69L91.3Very high92.2Very high39 Ų3950.8 Ų50.820%0.20427%0.268CS..SBendtrans-83137.9179.2-62.5-178.7000111.4N66 V67 R91N66-L69 HydrophobicContact CB-CD1 4.19Å; N66-L69 PolarHBondContact O-N 2.76Å; V67-L69 PolarHBondContact O-N 2.96Å; L69-R91 PolarHBondContact O-NH2 3.4Å
70P92.6Very high92.2Very high85 Ų8555.8 Ų55.855%0.55230%0.299SS*.  trans-53.4144.6166.1-24.833.8000111.2P72 S73 Y74P70-P72 VanDerWaalsContact C-CD 3.46Å; P70-P72 VanDerWaalsContact C-N 3.34Å; P70-S73 PolarHBondContact O-N 2.82Å; P70-Y74 PolarHBondContact O-N 3.34Å
71H92.3Very high92Very high35 Ų3561.3 Ų61.316%0.16233%0.325CS..Hα-helixtrans-52.4-41.8-173.6-170.662000114.4S73 Y74 V75 V86 R91H71-S73 VanDerWaalsContact C-N 3.34Å; H71-S73 PolarHBondContact O-N 3.08Å; H71-Y74 AromaticContact CE1-CD1 3.89Å; H71-Y74 AromaticContact ND1-CD1 3.67Å; H71-Y74 WeakPolarHBondContact O-CB 3.42Å; H71-Y74 PolarHBondContact O-N 3.14Å; H71-V75 WeakPolarHBondContact O-CG2 3.35Å; H71-V75 PolarHBondContact O-N 3.3Å; H71-V86 PolarHBondContact CE1-O 3.01Å; H71-V86 VanDerWaalsContact CE1-O 3.22Å; H71-R91 PolarHBondContact ND1-NH1 2.96Å
72P92.9Very high91.9Very high89 Ų8968 Ų6858%0.57836%0.361SS*.Hα-helixtrans-62-36175.4-24.235.9000114.2P70 V75 R76P70-P72 VanDerWaalsContact C-CD 3.46Å; P70-P72 VanDerWaalsContact C-N 3.34Å; P72-V75 PolarHBondContact O-N 2.84Å; P72-R76 PolarHBondContact O-N 3.05Å
73S93.1Very high91.8Very high36 Ų3667.8 Ų67.825%0.25236%0.36SS..Hα-helixtrans-73.7-36.1176.9-61.70000111.8P70 H71 R76 R77P70-S73 PolarHBondContact O-N 2.82Å; H71-S73 VanDerWaalsContact C-N 3.34Å; H71-S73 PolarHBondContact O-N 3.08Å; S73-R76 PolarHBondContact O-N 2.96Å; S73-R76 PolarHBondContact OG-NH2 2.78Å; S73-R76 VanDerWaalsContact OG-NH2 3.14Å; S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 VanDerWaalsContact O-N 3.08Å
74Y95.1Very high91.8Very high0 Ų071.6 Ų71.60%039%0.385CS..Hα-helixtrans-59.3-44.8170.3158.1-97.4000112F62 L63 N66 P70 H71 R76 R77 A78 V85 V86F62-Y74 HydrophobicContact CD1-CD2 4.14Å; F62-Y74 AromaticContact CD1-CE2 3.52Å; F62-Y74 HydrophobicContact CD1-CE2 3.52Å; F62-Y74 HydrophobicContact CE1-CD2 4.06Å; F62-Y74 AromaticContact CE1-CE2 3.88Å; F62-Y74 HydrophobicContact CE1-CE2 3.88Å; L63-Y74 HydrophobicContact CB-CE2 4.01Å; L63-Y74 HydrophobicContact CD1-CD2 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 4.26Å; L63-Y74 HydrophobicContact CD1-CE2 3.93Å; N66-Y74 HydrophobicContact CB-CD2 4.1Å; P70-Y74 PolarHBondContact O-N 3.34Å; H71-Y74 AromaticContact CE1-CD1 3.89Å; H71-Y74 AromaticContact ND1-CD1 3.67Å; H71-Y74 WeakPolarHBondContact O-CB 3.42Å; H71-Y74 PolarHBondContact O-N 3.14Å; Y74-R76 VanDerWaalsContact C-N 3.35Å; Y74-R76 PolarHBondContact O-N 3.47Å; Y74-R77 PolarHBondContact O-N 3.2Å; Y74-A78 WeakPolarHBondContact O-CB 3.34Å; Y74-A78 PolarHBondContact O-N 3.4Å; Y74-V85 HydrophobicContact CE1-CB 4.23Å; Y74-V85 HydrophobicContact CE1-CG1 4.31Å; Y74-V86 PolarHBondContact OH-N 3.44Å; Y74-V86 VanDerWaalsContact OH-N 3.1Å
75V93.2Very high91.9Very high54 Ų5473.3 Ų73.333%0.32740%0.396SS..Hα-helixtrans-61-43.8179.2168.90000111.2H71 P72 R77 A78 A79 V85H71-V75 WeakPolarHBondContact O-CG2 3.35Å; H71-V75 PolarHBondContact O-N 3.3Å; P72-V75 PolarHBondContact O-N 2.84Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 2.88Å; V75-A78 PolarHBondContact O-N 2.92Å; V75-A79 PolarHBondContact O-N 2.84Å; V75-V85 HydrophobicContact CB-CG1 4.38Å; V75-V85 HydrophobicContact CG1-CG1 4.28Å; V75-V85 HydrophobicContact CG2-CB 4.5Å; V75-V85 HydrophobicContact CG2-CG1 4.2Å
76R93.3Very high92Very high170 Ų17068.3 Ų68.364%0.64237%0.369SS*.Hα-helixtrans-60.3-44.3175.4-73.2-175.1-72163.2-1.6111.9P72 S73 Y74 A79 T80P72-R76 PolarHBondContact O-N 3.05Å; S73-R76 PolarHBondContact O-N 2.96Å; S73-R76 PolarHBondContact OG-NH2 2.78Å; S73-R76 VanDerWaalsContact OG-NH2 3.14Å; Y74-R76 VanDerWaalsContact C-N 3.35Å; Y74-R76 PolarHBondContact O-N 3.47Å; R76-A79 PolarHBondContact O-N 3.33Å; R76-T80 PolarHBondContact O-N 2.95Å; R76-T80 VanDerWaalsContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.18Å
77R92.4Very high92.1Very high119 Ų11973 Ų7345%0.44939%0.386SS..Hα-helixtrans-66.4-40.7179.6-153-178.4-159.9157.811.7112.6F62 N66 S73 Y74 V75 A79 T80 E81F62-R77 HydrophobicContact CE1-CB 4.41Å; F62-R77 HydrophobicContact CZ-CB 4.09Å; F62-R77 HydrophobicContact CZ-CG 3.96Å; N66-R77 WeakPolarHBondContact OD1-CD 3.46Å; N66-R77 PolarHBondContact OD1-NH1 2.98Å; S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 VanDerWaalsContact O-N 3.08Å; Y74-R77 PolarHBondContact O-N 3.2Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 2.88Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.46Å; R77-T80 WeakPolarHBondContact O-CB 3.34Å; R77-T80 PolarHBondContact O-N 2.93Å; R77-E81 PolarHBondContact O-N 3.02Å
78A93.1Very high92Very high0 Ų079 Ų790%040%0.402CS..Hα-helixtrans-63.5-37.8176.100000111.9F62 Y74 V75 E81 N82 I83 V85F62-A78 HydrophobicContact CD1-CB 3.99Å; F62-A78 VanDerWaalsContact CE1-CA 3.44Å; F62-A78 HydrophobicContact CE1-CB 3.6Å; Y74-A78 WeakPolarHBondContact O-CB 3.34Å; Y74-A78 PolarHBondContact O-N 3.4Å; V75-A78 PolarHBondContact O-N 2.92Å; A78-E81 CarbonylContact O-C 3.59Å; A78-E81 PolarHBondContact O-N 3.1Å; A78-N82 PolarHBondContact O-N 2.91Å; A78-N82 VanDerWaalsContact O-N 3.11Å; A78-I83 PolarHBondContact O-N 3.39Å; A78-V85 HydrophobicContact CB-CG1 3.41Å; A78-V85 VanDerWaalsContact CB-CG1 3.41Å
79A91.7Very high92.1Very high65 Ų6576.4 Ų76.454%0.53740%0.397SS..Hα-helixtrans-64.5-38.7175.400000112.2V75 R76 R77 E81 N82V75-A79 PolarHBondContact O-N 2.84Å; R76-A79 PolarHBondContact O-N 3.33Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.46Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 2.78Å; A79-N82 PolarHBondContact O-N 3.21Å
80T92.4Very high92.1Very high106 Ų10674.8 Ų74.865%0.6539%0.388SS*.Hα-helixtrans-62-39.5174.7-53.70000112.2R76 R77 N82R76-T80 PolarHBondContact O-N 2.95Å; R76-T80 VanDerWaalsContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.18Å; R77-T80 WeakPolarHBondContact O-CB 3.34Å; R77-T80 PolarHBondContact O-N 2.93Å; T80-N82 VanDerWaalsContact C-N 3.29Å; T80-N82 PolarHBondContact O-N 2.84Å
81E87.4Confident92.1Very high116 Ų11672.2 Ų72.254%0.54237%0.367SS..THydrogen-bonded Turntrans-84.92.4179.6-60.9-66.8158.600113.2F62 R77 A78 A79 I83F62-E81 HydrophobicContact CE2-CB 4.36Å; F62-E81 HydrophobicContact CE2-CG 3.9Å; F62-E81 HydrophobicContact CZ-CG 4.14Å; R77-E81 PolarHBondContact O-N 3.02Å; A78-E81 CarbonylContact O-C 3.59Å; A78-E81 PolarHBondContact O-N 3.1Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 2.78Å; E81-I83 HydrophobicContact CB-CD1 3.86Å; E81-I83 HydrophobicContact CB-CG1 3.99Å; E81-I83 PolarHBondContact O-N 3.07Å
82N89.4Confident92Very high150 Ų15079.2 Ų79.280%0.80240%0.397SS*.THydrogen-bonded Turntrans55.431.5-174.4-68.6-76.7000114.6A78 A79 T80A78-N82 PolarHBondContact O-N 2.91Å; A78-N82 VanDerWaalsContact O-N 3.11Å; A79-N82 PolarHBondContact O-N 3.21Å; T80-N82 VanDerWaalsContact C-N 3.29Å; T80-N82 PolarHBondContact O-N 2.84Å
83I91.1Very high91.8Very high19 Ų1976.2 Ų76.210%0.09738%0.383CS..PPolyproline II helixtrans-98.4131.7-179.6-60.3173000109.9F62 A78 E81 V85F62-I83 HydrophobicContact CB-CD1 4.02Å; F62-I83 HydrophobicContact CB-CG2 4.23Å; F62-I83 HydrophobicContact CD2-CD1 3.56Å; F62-I83 HydrophobicContact CE2-CD1 4.15Å; F62-I83 HydrophobicContact CG-CD1 3.78Å; A78-I83 PolarHBondContact O-N 3.39Å; E81-I83 HydrophobicContact CB-CD1 3.86Å; E81-I83 HydrophobicContact CB-CG1 3.99Å; E81-I83 PolarHBondContact O-N 3.07Å; I83-V85 PolarHBondContact O-N 3.23Å
84P91.9Very high91.7Very high81 Ų8174.5 Ų74.553%0.52637%0.371SS..PPolyproline II helixtrans-58.4131.5174.4-22.732.5000112S59S59-P84 VanDerWaalsContact CB-O 3.22Å; S59-P84 WeakPolarHBondContact CB-O 3.14Å; S59-P84 PolarHBondContact OG-O 3.39Å
85V92.8Very high91.5Very high56 Ų5676 Ų7634%0.33938%0.378SS..PPolyproline II helixtrans-79.5139.2-176.2-69.20000112.8Y74 V75 A78 I83 R87Y74-V85 HydrophobicContact CE1-CB 4.23Å; Y74-V85 HydrophobicContact CE1-CG1 4.31Å; V75-V85 HydrophobicContact CB-CG1 4.38Å; V75-V85 HydrophobicContact CG1-CG1 4.28Å; V75-V85 HydrophobicContact CG2-CB 4.5Å; V75-V85 HydrophobicContact CG2-CG1 4.2Å; A78-V85 HydrophobicContact CB-CG1 3.41Å; A78-V85 VanDerWaalsContact CB-CG1 3.41Å; I83-V85 PolarHBondContact O-N 3.23Å; V85-R87 PolarHBondContact O-N 2.78Å
86V93.7Very high91.4Very high1 Ų174.7 Ų74.71%0.00637%0.372CS..PPolyproline II helixtrans-69.6126.2166178.70000109.2Y55 L63 H71 Y74 D90 L94Y55-V86 HydrophobicContact CD1-CG2 4.2Å; Y55-V86 HydrophobicContact CE1-CB 4.29Å; Y55-V86 HydrophobicContact CE1-CG1 4.36Å; Y55-V86 HydrophobicContact CE1-CG2 4.25Å; Y55-V86 HydrophobicContact CE2-CG1 4.4Å; L63-V86 HydrophobicContact CB-CG2 4.2Å; L63-V86 HydrophobicContact CD2-CB 4Å; L63-V86 HydrophobicContact CD2-CG1 4Å; L63-V86 HydrophobicContact CD2-CG2 3.95Å; H71-V86 PolarHBondContact CE1-O 3.01Å; H71-V86 VanDerWaalsContact CE1-O 3.22Å; Y74-V86 PolarHBondContact OH-N 3.44Å; Y74-V86 VanDerWaalsContact OH-N 3.1Å; V86-D90 HydrophobicContact CG1-CB 4.15Å; V86-L94 HydrophobicContact CG1-CD2 3.93Å; V86-L94 HydrophobicContact CG2-CD2 4.15Å
87R93.1Very high91.2Very high112 Ų11267.1 Ų67.142%0.42334%0.344SS..PPolyproline II helixtrans-66.3146.4-177.4-61.7-178.2179.9-160.6-1.4111.1I42 W43 Y55 V85 P89 D90 R91I42-R87 HydrophobicContact CG2-CG 4.34Å; I42-R87 VanDerWaalsContact CG2-NE 3.28Å; W43-R87 VanDerWaalsContact O-CD 3.27Å; W43-R87 WeakPolarHBondContact O-CD 3.47Å; W43-R87 PolarHBondContact O-NH1 3.18Å; Y55-R87 WeakPolarHBondContact OH-CB 3.16Å; Y55-R87 WeakPolarHBondContact OH-CG 3.47Å; Y55-R87 PolarHBondContact OH-N 2.91Å; V85-R87 PolarHBondContact O-N 2.78Å; R87-P89 VanDerWaalsContact C-CD 3.48Å; R87-D90 PolarHBondContact O-N 3.36Å; R87-D90 VanDerWaalsContact O-N 3.08Å; R87-R91 PolarHBondContact O-N 2.97Å
88R90.6Very high91.1Very high193 Ų19361.5 Ų61.573%0.72832%0.322SS*.Hα-helixtrans-52.6-42.5-177.7-166.1175.7178.4-133.10.8114.4D90 R91R88-D90 VanDerWaalsContact C-N 3.3Å; R88-D90 PolarHBondContact O-N 2.94Å; R88-R91 PolarHBondContact O-N 2.82Å
89P91.7Very high90.9Very high79 Ų7965.1 Ų65.151%0.51334%0.342SS..Hα-helixtrans-63.1-33.7178.7-25.838.5000113.7W43 R87W43-P89 HydrophobicContact CB-CB 4.42Å; W43-P89 HydrophobicContact CD2-CB 4.13Å; W43-P89 HydrophobicContact CG-CB 3.87Å; W43-P89 HydrophobicContact CG-CG 4.13Å; R87-P89 VanDerWaalsContact C-CD 3.48Å
90D91.4Very high90.6Very high4 Ų463.5 Ų63.52%0.02133%0.331CS..Hα-helixtrans-80.6-24.8-179.5-67.6-36.3000112.8Y40 W43 Y55 V86 R87 R88 K92 G93 L94Y40-D90 HydrophobicContact CE1-CB 3.95Å; W43-D90 WeakPolarHBondContact CB-OD1 3.34Å; W43-D90 WeakPolarHBondContact CB-OD2 3.02Å; W43-D90 PolarHBondContact N-OD2 2.89Å; Y55-D90 HydrophobicContact CE2-CB 4.22Å; Y55-D90 WeakPolarHBondContact CE2-OD2 3.38Å; Y55-D90 PolarHBondContact OH-OD2 3.4Å; V86-D90 HydrophobicContact CG1-CB 4.15Å; R87-D90 PolarHBondContact O-N 3.36Å; R87-D90 VanDerWaalsContact O-N 3.08Å; R88-D90 VanDerWaalsContact C-N 3.3Å; R88-D90 PolarHBondContact O-N 2.94Å; D90-K92 VanDerWaalsContact C-N 3.34Å; D90-K92 PolarHBondContact O-N 3.25Å; D90-G93 PolarHBondContact O-N 3.48Å; D90-L94 VanDerWaalsContact O-CB 3.29Å; D90-L94 WeakPolarHBondContact O-CB 2.8Å; D90-L94 PolarHBondContact O-N 2.83Å
91R91.9Very high90.4Very high32 Ų3265.3 Ų65.312%0.12133%0.332CS..Hα-helixtrans-53-46.5-172.5-177.9173.7176.4126.5-11.1113.1L63 V67 L69 H71 R87 R88 L95L63-R91 HydrophobicContact CD1-CG 4.22Å; L63-R91 HydrophobicContact CD2-CG 4.43Å; V67-R91 PolarHBondContact O-NH2 3.49Å; L69-R91 PolarHBondContact O-NH2 3.4Å; H71-R91 PolarHBondContact ND1-NH1 2.96Å; R87-R91 PolarHBondContact O-N 2.97Å; R88-R91 PolarHBondContact O-N 2.82Å; R91-L95 HydrophobicContact CG-CD1 3.94Å; R91-L95 WeakPolarHBondContact O-CB 3.26Å; R91-L95 VanDerWaalsContact O-CG 3.23Å; R91-L95 WeakPolarHBondContact O-CG 3.41Å; R91-L95 PolarHBondContact O-N 3.25Å; R91-L95 VanDerWaalsContact O-N 3.14Å
92K90.4Very high90.1Very high181 Ų18161.3 Ų61.379%0.78732%0.317SS*.Hα-helixtrans-67.9-45.9-178.6-172.9179.4179.5-178.80111.5D90 S96D90-K92 VanDerWaalsContact C-N 3.34Å; D90-K92 PolarHBondContact O-N 3.25Å; K92-S96 WeakPolarHBondContact O-CB 3.2Å; K92-S96 PolarHBondContact O-N 3.46Å
93G88.4Confident89.4Confident27 Ų2758.7 Ų58.728%0.27831%0.31SS..Hα-helixtrans-67.2-40.2-178.900000112.8D90 Y97D90-G93 PolarHBondContact O-N 3.48Å; G93-Y97 PolarHBondContact O-N 3.39Å; G93-Y97 VanDerWaalsContact O-N 3.13Å
94L90.9Very high88.6Confident0 Ų061.4 Ų61.40%033%0.328CS..Hα-helixtrans-66.4-44.1177.7179.760.6000112L5 Y40 I60 L63 V86 D90 Y97 L98L5-L94 HydrophobicContact CD1-CD1 4.47Å; Y40-L94 HydrophobicContact CD2-CD1 3.56Å; Y40-L94 HydrophobicContact CE1-CB 4.38Å; Y40-L94 HydrophobicContact CE2-CB 4.05Å; Y40-L94 HydrophobicContact CE2-CD1 3.66Å; Y40-L94 HydrophobicContact CE2-CG 4.44Å; Y40-L94 HydrophobicContact CG-CD1 4.01Å; Y40-L94 PolarHBondContact OH-N 3.5Å; I60-L94 HydrophobicContact CD1-CD1 4.25Å; I60-L94 HydrophobicContact CD1-CD2 4.36Å; I60-L94 HydrophobicContact CG1-CD2 4.05Å; I60-L94 HydrophobicContact CG2-CD1 4.31Å; I60-L94 HydrophobicContact CG2-CD2 4.16Å; L63-L94 HydrophobicContact CD2-CD2 3.86Å; V86-L94 HydrophobicContact CG1-CD2 3.93Å; V86-L94 HydrophobicContact CG2-CD2 4.15Å; D90-L94 VanDerWaalsContact O-CB 3.29Å; D90-L94 WeakPolarHBondContact O-CB 2.8Å; D90-L94 PolarHBondContact O-N 2.83Å; L94-Y97 PolarHBondContact O-N 3.22Å; L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.07Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.76Å
95L91.4Very high87.9Confident30 Ų3058.6 Ų58.616%0.15731%0.31CS..Hα-helixtrans-66.8-41.6178.1-70.8174000112.3L63 V67 R91 Y97 L98 N99L63-L95 HydrophobicContact CD2-CD2 4.24Å; L63-L95 HydrophobicContact CD2-CG 4.34Å; L63-L95 HydrophobicContact CG-CD2 4.31Å; V67-L95 HydrophobicContact CG1-CD1 4.35Å; V67-L95 HydrophobicContact CG1-CD2 3.57Å; R91-L95 HydrophobicContact CG-CD1 3.94Å; R91-L95 WeakPolarHBondContact O-CB 3.26Å; R91-L95 VanDerWaalsContact O-CG 3.23Å; R91-L95 WeakPolarHBondContact O-CG 3.41Å; R91-L95 PolarHBondContact O-N 3.25Å; R91-L95 VanDerWaalsContact O-N 3.14Å; L95-Y97 VanDerWaalsContact C-N 3.26Å; L95-Y97 PolarHBondContact O-N 3.43Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-N99 WeakPolarHBondContact O-CB 3.24Å; L95-N99 PolarHBondContact O-N 3Å; L95-N99 PolarHBondContact O-ND2 3.49Å
96S90.6Very high87.2Confident27 Ų2763 Ų6319%0.18934%0.337CS..Hα-helixtrans-59.6-39.7175.7-169.80000111.5K92 G100 E101 S102K92-S96 WeakPolarHBondContact O-CB 3.2Å; K92-S96 PolarHBondContact O-N 3.46Å; S96-G100 PolarHBondContact O-N 3.41Å; S96-E101 WeakPolarHBondContact CA-OE2 3.25Å; S96-E101 WeakPolarHBondContact CB-OE2 3.49Å; S96-E101 WeakPolarHBondContact O-CB 3.29Å; S96-E101 PolarHBondContact O-N 2.86Å; S96-E101 VanDerWaalsContact OG-CB 3.31Å; S96-E101 WeakPolarHBondContact OG-CB 3.48Å; S96-E101 PolarHBondContact OG-OE2 3.45Å; S96-S102 VanDerWaalsContact C-OG 3.26Å; S96-S102 WeakPolarHBondContact CB-OG 3.43Å; S96-S102 PolarHBondContact O-N 2.87Å; S96-S102 PolarHBondContact O-OG 3.25Å; S96-S102 PolarHBondContact OG-OG 3.46Å
97Y89.8Confident86.7Confident12 Ų1263.9 Ų63.95%0.04734%0.343CS..Hα-helixtrans-66.4-47.6174.6175.4-101000112.5L5 S6 R9 G93 L94 L95 N99 G100 S102 I108L5-Y97 HydrophobicContact CD2-CD1 4.36Å; L5-Y97 HydrophobicContact CD2-CE1 3.88Å; L5-Y97 HydrophobicContact CG-CE1 3.92Å; S6-Y97 PolarHBondContact OG-OH 2.88Å; R9-Y97 HydrophobicContact CB-CE1 4.18Å; R9-Y97 VanDerWaalsContact CD-CZ 3.45Å; R9-Y97 WeakPolarHBondContact CD-O 3.47Å; R9-Y97 HydrophobicContact CG-CE1 4.43Å; R9-Y97 PolarHBondContact NE-O 2.98Å; G93-Y97 PolarHBondContact O-N 3.39Å; G93-Y97 VanDerWaalsContact O-N 3.13Å; L94-Y97 PolarHBondContact O-N 3.22Å; L95-Y97 VanDerWaalsContact C-N 3.26Å; L95-Y97 PolarHBondContact O-N 3.43Å; Y97-N99 PolarHBondContact O-N 3.21Å; Y97-G100 PolarHBondContact O-N 3.18Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; Y97-S102 PolarHBondContact N-OG 2.86Å; Y97-I108 HydrophobicContact CD1-CD1 3.91Å; Y97-I108 HydrophobicContact CD2-CD1 3.6Å; Y97-I108 HydrophobicContact CE1-CD1 3.78Å; Y97-I108 HydrophobicContact CE2-CD1 3.44Å; Y97-I108 VanDerWaalsContact CE2-CD1 3.44Å; Y97-I108 HydrophobicContact CG-CD1 3.82Å
98L89.6Confident86.4Confident0 Ų059.8 Ų59.80%033%0.33CS..Hα-helixtrans-66.1-33.7-178.9-72.8172.3000113.3L5 L8 R9 N12 I60 L64 L94 L95 G100L5-L98 HydrophobicContact CD1-CD2 4.11Å; L8-L98 HydrophobicContact CD2-CD2 4.1Å; L8-L98 HydrophobicContact CG-CD2 4.11Å; R9-L98 HydrophobicContact CB-CD2 4.25Å; N12-L98 PolarHBondContact ND2-O 2.77Å; I60-L98 HydrophobicContact CG2-CD1 3.68Å; L64-L98 HydrophobicContact CD1-CD1 4.46Å; L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.07Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.76Å; L95-L98 PolarHBondContact O-N 3.33Å; L98-G100 PolarHBondContact O-N 3.31Å
99N88.8Confident85.9Confident77 Ų7751.5 Ų51.541%0.41230%0.3SS..Hα-helixtrans-79.1-9.7176.4-71.2-22000112.8N12 L95 Y97 E101N12-N99 PolarHBondContact ND2-OD1 3.15Å; L95-N99 WeakPolarHBondContact O-CB 3.24Å; L95-N99 PolarHBondContact O-N 3Å; L95-N99 PolarHBondContact O-ND2 3.49Å; Y97-N99 PolarHBondContact O-N 3.21Å; N99-E101 HydrophobicContact CB-CG 4.42Å
100G85.5Confident85.2Confident30 Ų3057.2 Ų57.231%0.30931%0.311SS..THydrogen-bonded Turntrans84.15.1178.600000115.2S96 Y97 L98 S102S96-G100 PolarHBondContact O-N 3.41Å; Y97-G100 PolarHBondContact O-N 3.18Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; L98-G100 PolarHBondContact O-N 3.31Å; G100-S102 PolarHBondContact O-N 2.82Å
101E87.1Confident84.2Confident145 Ų14561.7 Ų61.768%0.67834%0.343SS*.SBendtrans-61.4-34.4172.2-64.3169.3-169.300111.5S96 N99S96-E101 WeakPolarHBondContact CA-OE2 3.25Å; S96-E101 WeakPolarHBondContact CB-OE2 3.49Å; S96-E101 WeakPolarHBondContact O-CB 3.29Å; S96-E101 PolarHBondContact O-N 2.86Å; S96-E101 VanDerWaalsContact OG-CB 3.31Å; S96-E101 WeakPolarHBondContact OG-CB 3.48Å; S96-E101 PolarHBondContact OG-OE2 3.45Å; N99-E101 HydrophobicContact CB-CG 4.42Å
102S82Confident83Confident32 Ų3260.6 Ų60.622%0.22434%0.34CS..  trans-120.8133.7173.532.20000111.1S96 Y97 G100S96-S102 VanDerWaalsContact C-OG 3.26Å; S96-S102 WeakPolarHBondContact CB-OG 3.43Å; S96-S102 PolarHBondContact O-N 2.87Å; S96-S102 PolarHBondContact O-OG 3.25Å; S96-S102 PolarHBondContact OG-OG 3.46Å; Y97-S102 PolarHBondContact N-OG 2.86Å; G100-S102 PolarHBondContact O-N 2.82Å
103S73.9Confident81.5Confident94 Ų9457.4 Ų57.466%0.65734%0.338SS*.SBendtrans-81.7-18.8178.856.90000112.7
104T74.9Confident80.5Confident76 Ų7659.8 Ų59.847%0.46634%0.344SS..  trans-146.3152178.563.20000110.6
105S77.4Confident79Confident23 Ų2364.7 Ų64.716%0.16137%0.367CS..  trans-126.7146.3171.3-1780000109.6Y40 S107 I108Y40-S105 PolarHBondContact OH-OG 3.28Å; S105-S107 PolarHBondContact O-N 3.37Å; S105-I108 PolarHBondContact O-N 2.94Å; S105-I108 VanDerWaalsContact O-N 3.08Å
106T78.3Confident77.6Confident147 Ų14768.3 Ų68.390%0.90239%0.385SS*.THydrogen-bonded Turntrans-61.6-25178.348.30000112.8I108T106-I108 VanDerWaalsContact C-N 3.34Å
107S83.8Confident76.1Confident20 Ų2067.5 Ų67.514%0.1438%0.381CS..THydrogen-bonded Turntrans-84.5-2.9177.6-53.40000113.7I41 S105I41-S107 WeakPolarHBondContact CB-O 3.26Å; I41-S107 WeakPolarHBondContact CG1-O 3.01Å; I41-S107 PolarHBondContact N-O 2.93Å; S105-S107 PolarHBondContact O-N 3.37Å
108I85.1Confident74.9Confident27 Ų2772.9 Ų72.914%0.13841%0.41CS..BIsolated β-bridgetrans-88.1113.4178.3-66.1169.9000109.9L5 N39 Y40 Y97 S105 T106 R110L5-I108 HydrophobicContact CD2-CD1 4.46Å; L5-I108 HydrophobicContact CD2-CG1 4.46Å; N39-I108 WeakPolarHBondContact O-CA 3.34Å; Y40-I108 HydrophobicContact CD2-CD1 4.36Å; Y40-I108 HydrophobicContact CD2-CG1 3.68Å; Y40-I108 HydrophobicContact CE2-CG1 4.07Å; Y97-I108 HydrophobicContact CD1-CD1 3.91Å; Y97-I108 HydrophobicContact CD2-CD1 3.6Å; Y97-I108 HydrophobicContact CE1-CD1 3.78Å; Y97-I108 HydrophobicContact CE2-CD1 3.44Å; Y97-I108 VanDerWaalsContact CE2-CD1 3.44Å; Y97-I108 HydrophobicContact CG-CD1 3.82Å; S105-I108 PolarHBondContact O-N 2.94Å; S105-I108 VanDerWaalsContact O-N 3.08Å; T106-I108 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.48Å
109D81.6Confident73.1Confident18 Ų1879.5 Ų79.510%0.09644%0.441CS..  trans-90.697.8175.9-163.7-18.1000110.6N39 I41 K52 Y54 S111 A112N39-D109 WeakPolarHBondContact CB-O 3.49Å; N39-D109 PolarHBondContact O-N 3.43Å; I41-D109 HydrophobicContact CD1-CB 3.89Å; I41-D109 HydrophobicContact CG1-CB 4.05Å; K52-D109 IonicContact NZ-OD2 3.89Å; K52-D109 PolarHBondContact NZ-OD2 2.89Å; Y54-D109 HydrophobicContact CE1-CB 3.73Å; Y54-D109 PolarHBondContact OH-OD2 3.43Å; D109-S111 PolarHBondContact O-N 3.32Å; D109-S111 WeakPolarHBondContact OD1-CA 3.49Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 2.74Å; D109-S111 PolarHBondContact OD1-OG 2.96Å; D109-A112 HydrophobicContact CB-CB 4.28Å; D109-A112 VanDerWaalsContact O-CB 3.31Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.18Å
110R75.6Confident71.5Confident200 Ų20080.1 Ų80.176%0.75544%0.438SS*.THydrogen-bonded Turntrans-64.7-9.7176-63.9-175-176.7175.20.5113.7I108I108-R110 PolarHBondContact O-N 3.48Å
111S70.2Confident69.4Low98 Ų9884.2 Ų84.269%0.68546%0.459SS*.THydrogen-bonded Turntrans-94.5-2.9175.675.40000113.7D109D109-S111 PolarHBondContact O-N 3.32Å; D109-S111 WeakPolarHBondContact OD1-CA 3.49Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 2.74Å; D109-S111 PolarHBondContact OD1-OG 2.96Å
112A68.6Low66.8Low8 Ų882.1 Ų82.17%0.06646%0.456CS..SBendtrans-61141176.900000111N39 Y54 D109 I114N39-A112 HydrophobicContact CB-CB 3.98Å; Y54-A112 HydrophobicContact CD1-CB 4.42Å; Y54-A112 HydrophobicContact CE1-CB 3.83Å; Y54-A112 HydrophobicContact CE2-CB 4.34Å; D109-A112 HydrophobicContact CB-CB 4.28Å; D109-A112 VanDerWaalsContact O-CB 3.31Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.18Å; A112-I114 PolarHBondContact O-N 3.45Å
113P59.1Low64.5Low114 Ų11489.5 Ų89.574%0.7449%0.487SS*.  trans-58.8110.7173.4-21.132.3000110.3
114I65.6Low62.8Low78 Ų7891.3 Ų91.340%0.449%0.494SS..PPolyproline II helixtrans-83.4119.4178.4-60164.6000108.1D3 A112 I116D3-I114 HydrophobicContact CB-CD1 3.9Å; D3-I114 HydrophobicContact CB-CG1 3.96Å; D3-I114 HydrophobicContact CB-CG2 3.86Å; A112-I114 PolarHBondContact O-N 3.45Å; I114-I116 PolarHBondContact O-N 2.67Å
115E59.8Low60.8Low102 Ų10297.5 Ų97.548%0.47751%0.514SS..PPolyproline II helixtrans-73.8116.6166.3-69.8-173.1-169.200109.2W32 V36 G117W32-E115 PolarHBondContact NE1-O 3.09Å; V36-E115 HydrophobicContact CG2-CB 3.74Å; V36-E115 HydrophobicContact CG2-CG 4.15Å; V36-E115 VanDerWaalsContact CG2-OE2 3.3Å; V36-E115 WeakPolarHBondContact CG2-OE2 3.38Å; E115-G117 PolarHBondContact O-N 2.81Å
116I62.9Low58.5Low106 Ų106108.1 Ų108.154%0.54455%0.551SS.*PPolyproline II helixtrans-73.5124.5179.2-60.9165.7000107.5M1 I114M1-I116 HydrophobicContact CE-CD1 4.27Å; M1-I116 HydrophobicContact CE-CG1 4.5Å; M1-I116 HydrophobicContact CE-CG2 3.59Å; M1-I116 HydrophobicContact SD-CB 4.39Å; M1-I116 HydrophobicContact SD-CD1 3.56Å; M1-I116 VanDerWaalsContact SD-CD1 3.56Å; M1-I116 HydrophobicContact SD-CG1 3.67Å; M1-I116 HydrophobicContact SD-CG2 3.81Å; I114-I116 PolarHBondContact O-N 2.67Å
117G58.6Low56.2Low11 Ų11106.1 Ų106.111%0.11355%0.549CS..PPolyproline II helixtrans-58.5140.1-179.900000111.6W32 E115 Q119W32-G117 VanDerWaalsContact CZ2-CA 3.49Å; E115-G117 PolarHBondContact O-N 2.81Å; G117-Q119 PolarHBondContact O-N 3.36Å
118L64.7Low53.7Low124 Ų124110 Ų11065%0.64958%0.582SS**EExtended strand (participates in β ladder)trans-71.8121.3173.2-68.8165.4000107.6S31 R120S31-L118 PolarHBondContact N-O 2.81Å; S31-L118 PolarHBondContact O-N 2.77Å; L118-R120 PolarHBondContact O-N 3.14Å
119Q51.3Low51.1Low139 Ų139116.2 Ų116.265%0.6562%0.616SS**EExtended strand (participates in β ladder)trans-74.3116173.9-167173.513.100107.9G117G117-Q119 PolarHBondContact O-N 3.36Å
120R55.5Low48.7Very low90 Ų90124.5 Ų124.534%0.3465%0.654SS.*PPolyproline II helixtrans-80.4138.7173.1-68.6-166.9-154.1-135.11.8109.2E24 E29 S31 L118 T122E24-R120 IonicContact OE1-NH2 2.78Å; E24-R120 PolarHBondContact OE1-NH2 2.81Å; E24-R120 IonicContact OE2-CZ 3.31Å; E24-R120 VanDerWaalsContact OE2-CZ 3.29Å; E24-R120 IonicContact OE2-NH1 3.82Å; E24-R120 PolarHBondContact OE2-NH1 3.47Å; E24-R120 IonicContact OE2-NH2 3.05Å; E24-R120 PolarHBondContact OE2-NH2 3.38Å; E29-R120 PolarHBondContact O-N 2.68Å; S31-R120 PolarHBondContact OG-NE 3.31Å; S31-R120 PolarHBondContact OG-NH2 2.87Å; L118-R120 PolarHBondContact O-N 3.14Å; R120-T122 PolarHBondContact O-N 3.16Å
121P40.8Very low46.6Very low116 Ų116121.5 Ų121.575%0.75366%0.658SS**PPolyproline II helixtrans-64.8119.9162.525.7-29.1000108.3Q123P121-Q123 PolarHBondContact O-N 3.29Å
122T33.5Very low44.6Very low101 Ų101121.6 Ų121.662%0.6266%0.658SS**  trans-66.290.1-175.5-34.70000110.5R120 V124R120-T122 PolarHBondContact O-N 3.16Å; T122-V124 HydrophobicContact CG2-CG2 4.29Å
123Q34.2Very low42.8Very low188 Ų188125.7 Ų125.788%0.87969%0.686SS**  trans-102.790.8162.7-72.4-162.6-6.300108.9P121 K125P121-Q123 PolarHBondContact O-N 3.29Å; Q123-K125 PolarHBondContact O-N 3.41Å
124V37.8Very low41.4Very low132 Ų132128.5 Ų128.580%0.869%0.69SS**  trans-82.8103159.6-179.40000106.5T122T122-V124 HydrophobicContact CG2-CG2 4.29Å
125K32.3Very low40Very low206 Ų206129.1 Ų129.190%0.89671%0.707SS**  trans-145.5134.7155.8-105.7-179.1-176.9-177.80110.6Q123Q123-K125 PolarHBondContact O-N 3.41Å
126R29.3Very low38.8Very low246 Ų246134.5 Ų134.593%0.92873%0.728SS**  trans-56.6153.9-179.1-71.8172.5179136.8-0.8112
127A29.2Very low37.4Very low104 Ų104137.9 Ų137.986%0.8674%0.739SS**  trans-56.8141173.300000113.5
128A31.9Very low36.5Very low101 Ų101142.9 Ų142.984%0.83577%0.769SS**  -178.3148122.100000109.6
129D31Very low35.3Very low159 Ų159146.1 Ų146.185%0.8577%0.773SS**  trans-47.2144.3-179.5-79.1-54.7000116.1
130E30.8Very low35Very low192 Ų192145.7 Ų145.790%0.89777%0.774SS**  -179.9161.9108.9-106-160.7157.400112.8
131V32.2Very low34.5Very low137 Ų137147.4 Ų147.483%0.8379%0.786SS**  trans-79.9154.3-163.9177.90000113.6
132S27.7Very low35.1Very low100 Ų100147 Ų14770%0.69978%0.777SS**  trans121.6124.8143.4-1640000118.4
133S31.7Very low36Very low94 Ų94145.5 Ų145.566%0.65778%0.775SS**  trans49.2121.914264.70000121.6
134E28.2Very low37.1Very low172 Ų172142.6 Ų142.680%0.80476%0.761SS**  166.6149.4107.6-91.1-169.415700113.5
135A36.8Very low38.1Very low92 Ų92145 Ų14576%0.7676%0.756SS**  trans-61.3147.6-179.100000113.6K137A135-K137 PolarHBondContact O-N 2.91Å; A135-K137 VanDerWaalsContact O-N 3.14Å
136K34.4Very low39.5Very low215 Ų215139.7 Ų139.794%0.93574%0.741SS**  trans-60.9111.2177-69.6176.2176.5176.50111.1
137K33.5Very low41.3Very low177 Ų177136 Ų13677%0.7773%0.727SS**PPolyproline II helixtrans-71.5140.5165-70.6177-179.9172.50110.6A135A135-K137 PolarHBondContact O-N 2.91Å; A135-K137 VanDerWaalsContact O-N 3.14Å
138P39.8Very low42.9Very low115 Ų115136.4 Ų136.475%0.74771%0.714SS**PPolyproline II helixtrans-78.5151.5169.727-21.2000111.3I140P138-I140 PolarHBondContact O-N 3.5Å
139R39Very low44.3Very low193 Ų193136.7 Ų136.773%0.72870%0.701SS**PPolyproline II helixtrans-62.4118-175.8-170.6174.8-178.6147.3-0.2111.3E141R139-E141 VanDerWaalsContact C-N 3.35Å; R139-E141 IonicContact NE-OE2 2.82Å; R139-E141 IonicContact NH2-OE2 2.89Å; R139-E141 PolarHBondContact O-N 2.83Å
140I46Very low45.7Very low130 Ų130136.8 Ų136.867%0.66769%0.694SS**THydrogen-bonded Turntrans-74.9-14.9-169.6-73.4161.8000114P138 D142P138-I140 PolarHBondContact O-N 3.5Å; I140-D142 PolarHBondContact O-N 3.35Å
141E45Very low47.2Very low126 Ų126133.8 Ų133.859%0.58968%0.68SS**Hα-helixtrans-72.7-23.1-174.5-67.8178144.100114.8R139R139-E141 VanDerWaalsContact C-N 3.35Å; R139-E141 IonicContact NE-OE2 2.82Å; R139-E141 IonicContact NH2-OE2 2.89Å; R139-E141 PolarHBondContact O-N 2.83Å
142D53.3Low48.8Very low107 Ų107136.2 Ų136.257%0.57268%0.675SS**Hα-helixtrans-84.2-27-179.4-75.6-35.1000112.9I140 V146I140-D142 PolarHBondContact O-N 3.35Å; D142-V146 VanDerWaalsContact O-CG2 3.31Å; D142-V146 WeakPolarHBondContact O-CG2 3.33Å; D142-V146 PolarHBondContact O-N 2.91Å
143A52.9Low49.9Very low69 Ų69137.3 Ų137.357%0.5767%0.672SS**Hα-helixtrans-73.1-36.5-176.700000112.8R147A143-R147 PolarHBondContact O-N 3.32Å; A143-R147 VanDerWaalsContact O-N 3.13Å
144E55.9Low51.1Low127 Ų127135.8 Ų135.859%0.59367%0.665SS**Hα-helixtrans-67.2-40.6176.8-76.1-112.1133.900111.7V146 R147 L148E144-V146 PolarHBondContact O-N 2.9Å; E144-R147 PolarHBondContact O-N 2.94Å; E144-L148 PolarHBondContact O-N 3.43Å; E144-L148 VanDerWaalsContact O-N 3.09Å
145R60.1Low52.6Low184 Ų184131.3 Ų131.369%0.69466%0.658SS**Hα-helixtrans-64.5-41.4178.2-69.1-176.1-179.1-104.80.4111.9R147 L148 D149R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.23Å; R145-L148 PolarHBondContact O-N 2.99Å; R145-D149 PolarHBondContact O-N 2.81Å; R145-D149 VanDerWaalsContact O-N 3.13Å
146V60.6Low53.5Low94 Ų94137.5 Ų137.557%0.5766%0.661SS**Hα-helixtrans-68.2-33.3177.7173.60000112D142 E144 K150D142-V146 VanDerWaalsContact O-CG2 3.31Å; D142-V146 WeakPolarHBondContact O-CG2 3.33Å; D142-V146 PolarHBondContact O-N 2.91Å; E144-V146 PolarHBondContact O-N 2.9Å; V146-K150 PolarHBondContact O-N 2.91Å; V146-K150 VanDerWaalsContact O-N 3.16Å
147R66.9Low54.2Low168 Ų168134.7 Ų134.763%0.63466%0.656SS**Hα-helixtrans-68.1-43.2176.6-157.7-177.595.7-174.35.7111.5A143 E144 R145 D149 K150 E151A143-R147 PolarHBondContact O-N 3.32Å; A143-R147 VanDerWaalsContact O-N 3.13Å; E144-R147 PolarHBondContact O-N 2.94Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 3.23Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.27Å; R147-K150 PolarHBondContact O-N 3.36Å; R147-E151 PolarHBondContact O-N 3.01Å; R147-E151 VanDerWaalsContact O-N 3.1Å
148L63.7Low54.9Low112 Ų112134.5 Ų134.559%0.58666%0.657SS**Hα-helixtrans-67.7-35.4-178.5-145.1144.5000111.7E144 R145 R152E144-L148 PolarHBondContact O-N 3.43Å; E144-L148 VanDerWaalsContact O-N 3.09Å; R145-L148 PolarHBondContact O-N 2.99Å; L148-R152 WeakPolarHBondContact O-CB 3.36Å; L148-R152 PolarHBondContact O-N 2.83Å; L148-R152 VanDerWaalsContact O-N 3.15Å
149D61.2Low55.1Low108 Ų108132.1 Ų132.158%0.57865%0.654SS**Hα-helixtrans-71.4-34173.7-84.1-14.7000113.2R145 R147 R152 L153R145-D149 PolarHBondContact O-N 2.81Å; R145-D149 VanDerWaalsContact O-N 3.13Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.27Å; D149-R152 PolarHBondContact O-N 3.39Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.16Å
150K60.4Low55.5Low160 Ų160131.9 Ų131.970%0.69666%0.66SS**Hα-helixtrans-65.5-41.6173.8-102.2-174.1174-175.50112.5V146 R147 R152 L153 A154V146-K150 PolarHBondContact O-N 2.91Å; V146-K150 VanDerWaalsContact O-N 3.16Å; R147-K150 PolarHBondContact O-N 3.36Å; K150-R152 VanDerWaalsContact C-N 3.34Å; K150-L153 PolarHBondContact O-N 3.16Å; K150-A154 PolarHBondContact O-N 2.81Å; K150-A154 VanDerWaalsContact O-N 3.13Å
151E62.9Low55Low129 Ų129135.5 Ų135.560%0.60367%0.672SS**Hα-helixtrans-67-38.3179-164.4170.2-165.800111.4R147 L153 A154 A155R147-E151 PolarHBondContact O-N 3.01Å; R147-E151 VanDerWaalsContact O-N 3.1Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.45Å; E151-A154 PolarHBondContact O-N 3.16Å; E151-A155 PolarHBondContact O-N 3.03Å
152R65.1Low55.1Low189 Ų189138.6 Ų138.671%0.71369%0.686SS**Hα-helixtrans-67.1-29.2176.2-153.1176.6-169.2-174.83.8113.4L148 D149 K150L148-R152 WeakPolarHBondContact O-CB 3.36Å; L148-R152 PolarHBondContact O-N 2.83Å; L148-R152 VanDerWaalsContact O-N 3.15Å; D149-R152 PolarHBondContact O-N 3.39Å; K150-R152 VanDerWaalsContact C-N 3.34Å
153L50.8Low54.2Low122 Ų122136.9 Ų136.964%0.63969%0.694SS**Hα-helixtrans-78.2-36.4176-164.470.1000111.9D149 K150 E151 R156D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.16Å; K150-L153 PolarHBondContact O-N 3.16Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.45Å; L153-R156 PolarHBondContact O-N 3.42Å
154A56.4Low54Low62 Ų62141.3 Ų141.351%0.51271%0.706SS.*Hα-helixtrans-65.9-42.8177.100000112.4K150 E151 R156 L157K150-A154 PolarHBondContact O-N 2.81Å; K150-A154 VanDerWaalsContact O-N 3.13Å; E151-A154 PolarHBondContact O-N 3.16Å; A154-R156 PolarHBondContact O-N 3.36Å; A154-R156 VanDerWaalsContact O-N 3.14Å; A154-L157 PolarHBondContact O-N 3.14Å
155A59.5Low53Low79 Ų79141.6 Ų141.665%0.65372%0.716SS**THydrogen-bonded Turntrans-62.6-21.1176.800000113.7E151E151-A155 PolarHBondContact O-N 3.03Å
156R56Low51.9Low221 Ų221141.6 Ų141.683%0.83472%0.724SS**THydrogen-bonded Turntrans-82.9-16.7177.7-116.9176.9163158.8-5.3113.5L153 A154L153-R156 PolarHBondContact O-N 3.42Å; A154-R156 PolarHBondContact O-N 3.36Å; A154-R156 VanDerWaalsContact O-N 3.14Å
157L49.9Very low51Low157 Ų157143.2 Ų143.282%0.82273%0.734SS**THydrogen-bonded Turntrans-101.6-14.6-172.4-141.377.5000113.8A154A154-L157 PolarHBondContact O-N 3.14Å
158E47.5Very low49.7Very low172 Ų172142.9 Ų142.980%0.80475%0.745SS**SBendtrans-85.6-11.5-176.3-158.6166.5-155.500113.8H160E158-H160 VanDerWaalsContact C-N 3.32Å; E158-H160 PolarHBondContact O-N 3.05Å
159G44.4Very low48.6Very low65 Ų65146.8 Ų146.867%0.6776%0.76SS**SBendtrans-77.12.4-171.600000117.4
160H46.1Very low47.8Very low188 Ų188149.9 Ų149.987%0.8778%0.775SS**  trans-135.489179.1-95.1-101.2000111.4E158E158-H160 VanDerWaalsContact C-N 3.32Å; E158-H160 PolarHBondContact O-N 3.05Å
161K36.7Very low47.2Very low207 Ų207153.7 Ų153.790%0.979%0.785SS**  trans-125.7138154.4-91.3-174.4175.5179.30109.9
162E45.8Very low46.4Very low191 Ų191152.1 Ų152.189%0.89379%0.788SS**  trans-66.6145.2-165.5-58178.215200113.6
163G34.7Very low45.6Very low71 Ų71149.8 Ų149.873%0.73279%0.789SS**  trans-13698.4168.600000110
164I48.8Very low45.7Very low162 Ų162149 Ų14983%0.83179%0.794SS**  trans-66.3123.7167.6-71.7163.3000107.9
165V35.9Very low45.6Very low133 Ų133155.1 Ų155.181%0.80681%0.812SS**  trans-132.1123.1171.7-178.70000110.1
166Q35.5Very low45.5Very low184 Ų184154.9 Ų154.986%0.8681%0.81SS**  trans-64.4147.3179.1-71.1170.3-19.100112.7
167T41.7Very low45.4Very low127 Ų127147.6 Ų147.678%0.77979%0.786SS**  trans-93.6118.4175.850.40000110.2
168D41Very low46.2Very low162 Ų162143.4 Ų143.487%0.86677%0.77SS**  trans-170.1105.7146.5-96.1-27.3000111.1
169Q41.1Very low46.9Very low194 Ų194141.1 Ų141.191%0.90777%0.768SS**  trans160.696.3143.9-89.4174.519.400109.9
170I43.3Very low47.8Very low172 Ų172145.7 Ų145.788%0.88277%0.772SS**  trans-91.2120.9174.9-60.4170.2000108.3
171R47.8Very low48.8Very low240 Ų240142.2 Ų142.291%0.90675%0.754SS**  trans-118.1137.9154.2-79.5-172.8-179.8178.51109.2
172S45.7Very low50Low96 Ų96136.2 Ų136.267%0.67173%0.731SS**  trans-67.3130.7-170.5-172.40000112.7S174S172-S174 PolarHBondContact O-N 3.36Å; S172-S174 PolarHBondContact OG-OG 2.85Å
173L48.8Very low51Low141 Ų141129.8 Ų129.874%0.73871%0.711SS**THydrogen-bonded Turntrans-81.918.1-177.4-82.2165.1000114.4E175L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.02Å
174S52.6Low52.6Low106 Ų106129.3 Ų129.374%0.74170%0.699SS**THydrogen-bonded Turntrans-77-7.6-177.253.40000114.4S172S172-S174 PolarHBondContact O-N 3.36Å; S172-S174 PolarHBondContact OG-OG 2.85Å
175E55.7Low53.5Low189 Ų189125.3 Ų125.388%0.88368%0.679SS**SBendtrans-110.9-7.5-175.9-159.1167.6-172.900114.2L173L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.02Å
176A55.9Low54.9Low75 Ų75125.7 Ų125.762%0.6267%0.67SS**SBendtrans-110.2-5.3-167.600000116.4
177M53.9Low56.6Low67 Ų67119.9 Ų119.933%0.3365%0.653SS.*  trans-145.4124.9-170.9-69.7-78.3-82.200112.8K181 I182 I185M177-K181 HydrophobicContact CE-CB 3.88Å; M177-K181 HydrophobicContact CE-CD 3.5Å; M177-K181 HydrophobicContact CE-CG 3.46Å; M177-K181 VanDerWaalsContact CE-CG 3.46Å; M177-K181 HydrophobicContact SD-CB 4.49Å; M177-K181 HydrophobicContact SD-CD 3.5Å; M177-K181 VanDerWaalsContact SD-CD 3.5Å; M177-K181 HydrophobicContact SD-CG 4.15Å; M177-I182 HydrophobicContact CB-CG1 4.48Å; M177-I185 HydrophobicContact CE-CD1 3.47Å; M177-I185 VanDerWaalsContact CE-CD1 3.47Å
178S67.1Low58.1Low70 Ų70121.7 Ų121.749%0.4965%0.65SS.*  trans-66.8153.5177.161.90000112.7E180 K181 I182S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact O-N 3.14Å; S178-K181 WeakPolarHBondContact O-CB 3.44Å; S178-K181 PolarHBondContact O-N 3.41Å; S178-I182 PolarHBondContact O-N 2.8Å
179V62.5Low59.3Low123 Ų123118.7 Ų118.775%0.74563%0.633SS**Hα-helixtrans-54.5-34.1-177.5-179.30000112.3K181 I182 A183V179-K181 PolarHBondContact O-N 2.89Å; V179-I182 PolarHBondContact O-N 2.86Å; V179-A183 PolarHBondContact O-N 3.12Å
180E63.6Low60.3Low161 Ų161115 Ų11575%0.75262%0.617SS**Hα-helixtrans-65.9-36.6176.4-65.8-178.815700112.7S178 A183 A184S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact O-N 3.14Å; E180-A183 PolarHBondContact O-N 2.91Å; E180-A184 WeakPolarHBondContact O-CB 3.5Å; E180-A184 PolarHBondContact O-N 3.46Å
181K65.8Low61.2Low116 Ų116109.8 Ų109.850%0.50460%0.6SS.*Hα-helixtrans-74.5-32.3179.2-143.7164.4167.6-169.30110.9M177 S178 V179 I185M177-K181 HydrophobicContact CE-CB 3.88Å; M177-K181 HydrophobicContact CE-CD 3.5Å; M177-K181 HydrophobicContact CE-CG 3.46Å; M177-K181 VanDerWaalsContact CE-CG 3.46Å; M177-K181 HydrophobicContact SD-CB 4.49Å; M177-K181 HydrophobicContact SD-CD 3.5Å; M177-K181 VanDerWaalsContact SD-CD 3.5Å; M177-K181 HydrophobicContact SD-CG 4.15Å; S178-K181 WeakPolarHBondContact O-CB 3.44Å; S178-K181 PolarHBondContact O-N 3.41Å; V179-K181 PolarHBondContact O-N 2.89Å; K181-I185 WeakPolarHBondContact O-CB 3.33Å; K181-I185 WeakPolarHBondContact O-CD1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.32Å; K181-I185 PolarHBondContact O-N 3.03Å
182I62.9Low61.8Low80 Ų80105.5 Ų105.541%0.4159%0.588SS.*Hα-helixtrans-68.2-39171.6-61171.4000110.7M177 S178 V179 I185 K186M177-I182 HydrophobicContact CB-CG1 4.48Å; S178-I182 PolarHBondContact O-N 2.8Å; V179-I182 PolarHBondContact O-N 2.86Å; I182-I185 PolarHBondContact O-N 3.4Å; I182-K186 WeakPolarHBondContact O-CB 3.35Å; I182-K186 PolarHBondContact O-N 3.34Å
183A67.2Low62.5Low57 Ų57108.4 Ų108.447%0.47159%0.588SS.*Hα-helixtrans-66-42.6174.300000112.1V179 E180 I185 K186 A187V179-A183 PolarHBondContact O-N 3.12Å; E180-A183 PolarHBondContact O-N 2.91Å; A183-I185 PolarHBondContact O-N 2.81Å; A183-K186 PolarHBondContact O-N 3.11Å; A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 2.91Å
184A68.1Low62.9Low60 Ų60111.6 Ų111.650%0.49659%0.591SS.*Hα-helixtrans-63.7-39.3175.400000112.4E180 A187 K188E180-A184 WeakPolarHBondContact O-CB 3.5Å; E180-A184 PolarHBondContact O-N 3.46Å; A184-A187 PolarHBondContact O-N 3.36Å; A184-K188 WeakPolarHBondContact O-CB 3.17Å; A184-K188 PolarHBondContact O-N 3.03Å
185I67.6Low62.9Low79 Ų79110.6 Ų110.641%0.40558%0.584SS.*Hα-helixtrans-68.4-41.8175.9-70.1165.9000110.9M177 K181 I182 A183 K188 I189M177-I185 HydrophobicContact CE-CD1 3.47Å; M177-I185 VanDerWaalsContact CE-CD1 3.47Å; K181-I185 WeakPolarHBondContact O-CB 3.33Å; K181-I185 WeakPolarHBondContact O-CD1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.32Å; K181-I185 PolarHBondContact O-N 3.03Å; I182-I185 PolarHBondContact O-N 3.4Å; A183-I185 PolarHBondContact O-N 2.81Å; I185-K188 PolarHBondContact O-N 3.28Å; I185-I189 HydrophobicContact CG2-CD1 3.7Å; I185-I189 HydrophobicContact CG2-CG1 4.38Å; I185-I189 WeakPolarHBondContact O-CB 3.47Å; I185-I189 VanDerWaalsContact O-CG1 3.25Å; I185-I189 WeakPolarHBondContact O-CG1 3.43Å; I185-I189 PolarHBondContact O-N 2.91Å
186K66.2Low62.7Low141 Ų141106.5 Ų106.561%0.61357%0.572SS**Hα-helixtrans-62.7-41.6174.4-82.7-177172.7179.90112.3I182 A183 K188 I189 M190I182-K186 WeakPolarHBondContact O-CB 3.35Å; I182-K186 PolarHBondContact O-N 3.34Å; A183-K186 PolarHBondContact O-N 3.11Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 2.74Å; K186-I189 PolarHBondContact O-N 2.92Å; K186-M190 WeakPolarHBondContact O-CB 3.49Å; K186-M190 PolarHBondContact O-N 2.93Å
187A69.4Low62.4Low61 Ų61110 Ų11050%0.50458%0.579SS.*Hα-helixtrans-62.7-41.217500000111.8A183 A184 M190 A191A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 2.91Å; A184-A187 PolarHBondContact O-N 3.36Å; A187-M190 PolarHBondContact O-N 3.2Å; A187-A191 WeakPolarHBondContact O-CB 3.23Å; A187-A191 PolarHBondContact O-N 3.4Å
188K73.4Confident61.9Low166 Ų166113.8 Ų113.872%0.72259%0.593SS**Hα-helixtrans-68.1-37.1177.5-153.8172.7-170.4175.90112.5A184 I185 K186 K192A184-K188 WeakPolarHBondContact O-CB 3.17Å; A184-K188 PolarHBondContact O-N 3.03Å; I185-K188 PolarHBondContact O-N 3.28Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 2.74Å; K188-K192 WeakPolarHBondContact O-CB 3.49Å; K188-K192 PolarHBondContact O-N 3.3Å
189I65.8Low60.8Low99 Ų99116.4 Ų116.451%0.50861%0.606SS.*Hα-helixtrans-69.2-39.7174.2-68.9167.1000110.9I185 K186 K192 K193I185-I189 HydrophobicContact CG2-CD1 3.7Å; I185-I189 HydrophobicContact CG2-CG1 4.38Å; I185-I189 WeakPolarHBondContact O-CB 3.47Å; I185-I189 VanDerWaalsContact O-CG1 3.25Å; I185-I189 WeakPolarHBondContact O-CG1 3.43Å; I185-I189 PolarHBondContact O-N 2.91Å; K186-I189 PolarHBondContact O-N 2.92Å; I189-K192 PolarHBondContact O-N 2.8Å; I189-K193 WeakPolarHBondContact O-CB 3.3Å; I189-K193 PolarHBondContact O-N 2.94Å
190M62.8Low60Low116 Ų116118 Ų11857%0.57161%0.611SS**Hα-helixtrans-68.7-37178.5-148.4-169.3-63.200111.8K186 A187 K193 R194K186-M190 WeakPolarHBondContact O-CB 3.49Å; K186-M190 PolarHBondContact O-N 2.93Å; A187-M190 PolarHBondContact O-N 3.2Å; M190-K193 PolarHBondContact O-N 3.04Å; M190-R194 WeakPolarHBondContact O-CG 3.37Å; M190-R194 PolarHBondContact O-N 3.35Å
191A62.1Low59.2Low63 Ų63117.9 Ų117.952%0.52161%0.614SS.*Hα-helixtrans-64.6-40.8171.800000112.1A187 R194 S195A187-A191 WeakPolarHBondContact O-CB 3.23Å; A187-A191 PolarHBondContact O-N 3.4Å; A191-R194 PolarHBondContact O-N 3.46Å; A191-S195 PolarHBondContact O-N 3.38Å
192K61Low58.3Low150 Ų150118.1 Ų118.165%0.65262%0.621SS**Hα-helixtrans-70.1-37.6176.4-149.1177.1-175-173.40111.9K188 I189 R194 S195 T196K188-K192 WeakPolarHBondContact O-CB 3.49Å; K188-K192 PolarHBondContact O-N 3.3Å; I189-K192 PolarHBondContact O-N 2.8Å; K192-R194 PolarHBondContact O-N 2.88Å; K192-S195 PolarHBondContact O-N 2.61Å; K192-S195 PolarHBondContact O-OG 3.17Å; K192-T196 WeakPolarHBondContact O-CB 3.46Å; K192-T196 PolarHBondContact O-N 3.31Å; K192-T196 VanDerWaalsContact O-N 3.12Å; K192-T196 PolarHBondContact O-OG1 2.74Å
193K60.7Low57.4Low156 Ų156117.9 Ų117.968%0.67862%0.621SS**Hα-helixtrans-65-36.5174.2-107.2-175.9170.8-177.40112.4I189 M190 S195 T196I189-K193 WeakPolarHBondContact O-CB 3.3Å; I189-K193 PolarHBondContact O-N 2.94Å; M190-K193 PolarHBondContact O-N 3.04Å; K193-S195 VanDerWaalsContact C-N 3.31Å; K193-S195 PolarHBondContact O-N 3.05Å; K193-T196 PolarHBondContact O-N 3.38Å
194R56.6Low56.4Low209 Ų209120.5 Ų120.579%0.78963%0.627SS**Hα-helixtrans-68.7-26.2173.9-74.8-177.8179.9-1640.5113.3M190 A191 K192M190-R194 WeakPolarHBondContact O-CG 3.37Å; M190-R194 PolarHBondContact O-N 3.35Å; A191-R194 PolarHBondContact O-N 3.46Å; K192-R194 PolarHBondContact O-N 2.88Å
195S53.2Low55.4Low85 Ų85123 Ų12359%0.59463%0.631SS**Hα-helixtrans-90.6-11.7177.3730000114.9A191 K192 K193A191-S195 PolarHBondContact O-N 3.38Å; K192-S195 PolarHBondContact O-N 2.61Å; K192-S195 PolarHBondContact O-OG 3.17Å; K193-S195 VanDerWaalsContact C-N 3.31Å; K193-S195 PolarHBondContact O-N 3.05Å
196T50.1Low54.5Low102 Ų102121.9 Ų121.963%0.62663%0.628SS**Hα-helixtrans-106-4-171.7-41.80000113.2K192 K193 K198K192-T196 WeakPolarHBondContact O-CB 3.46Å; K192-T196 PolarHBondContact O-N 3.31Å; K192-T196 VanDerWaalsContact O-N 3.12Å; K192-T196 PolarHBondContact O-OG1 2.74Å; K193-T196 PolarHBondContact O-N 3.38Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.38Å
197I50.4Low53.6Low150 Ų150121 Ų12177%0.76963%0.629SS**  trans-92.278.3167-55.3175.6000107.2
198K44.5Very low52.6Low145 Ų145123.8 Ų123.863%0.6363%0.63SS**  trans-110.1122.5160.7-125-175.9-177.5-148.40106.6T196 D200 D203T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.38Å; K198-D200 PolarHBondContact O-N 3.48Å; K198-D200 VanDerWaalsContact O-N 3.08Å; K198-D203 WeakPolarHBondContact CE-OD2 3.44Å; K198-D203 IonicContact NZ-OD2 2.67Å; K198-D203 PolarHBondContact NZ-OD2 3.33Å
199T42.1Very low51.4Low125 Ų125121.5 Ų121.577%0.76762%0.621SS**  trans-59.5100.8173.842.20000109.2L201T199-L201 PolarHBondContact O-N 3.19Å
200D45.9Very low50.4Low158 Ų158125.6 Ų125.685%0.84563%0.631SS**THydrogen-bonded Turntrans-85.551.3-167.2-137.810.9000112.4K198K198-D200 PolarHBondContact O-N 3.48Å; K198-D200 VanDerWaalsContact O-N 3.08Å
201L48.3Very low49.9Very low157 Ų157123.4 Ų123.482%0.82263%0.627SS**THydrogen-bonded Turntrans-136.10.3178.5-98.4162.9000116.7T199T199-L201 PolarHBondContact O-N 3.19Å
202D46.7Very low49.1Very low121 Ų121127.3 Ų127.365%0.64763%0.632SS**SBendtrans-139.7-1.6-179.1-81.6-55.5000117.1
203D43.2Very low48.4Very low76 Ų76123.5 Ų123.541%0.40662%0.621SS.*Hα-helixtrans-92.2-14.6-170.2-94.2-7.1000116.4K198 T206 L207K198-D203 WeakPolarHBondContact CE-OD2 3.44Å; K198-D203 IonicContact NZ-OD2 2.67Å; K198-D203 PolarHBondContact NZ-OD2 3.33Å; D203-T206 PolarHBondContact O-OG1 3.39Å; D203-T206 PolarHBondContact OD1-OG1 2.94Å; D203-L207 PolarHBondContact O-N 3.47Å
204D45.6Very low47.8Very low111 Ų111121.6 Ų121.659%0.59462%0.618SS**Hα-helixtrans-80.1-20.6175.4-158.654.1000112.6K208D204-K208 IonicContact OD1-NZ 3.77Å; D204-K208 IonicContact OD2-NZ 2.81Å; D204-K208 PolarHBondContact OD2-NZ 3.05Å
205I48.6Very low47.6Very low113 Ų113114.4 Ų114.458%0.57960%0.604SS**Hα-helixtrans-79.7-41.4173.3-70.7172.8000110.2L207 Q209I205-L207 PolarHBondContact O-N 2.87Å; I205-Q209 WeakPolarHBondContact O-CB 3.31Å; I205-Q209 PolarHBondContact O-N 3.26Å
206T47.1Very low47.6Very low56 Ų56116.1 Ų116.134%0.34460%0.602SS.*Hα-helixtrans-73.3-29.4-175.356.70000113.7D203 R210D203-T206 PolarHBondContact O-OG1 3.39Å; D203-T206 PolarHBondContact OD1-OG1 2.94Å; T206-R210 VanDerWaalsContact O-CB 3.3Å; T206-R210 WeakPolarHBondContact O-CB 3.41Å; T206-R210 WeakPolarHBondContact O-CG 3.45Å; T206-R210 PolarHBondContact O-N 3.2Å
207L48Very low47.9Very low123 Ų123114.2 Ų114.264%0.64459%0.591SS**Hα-helixtrans-76.9-40.6177.2-141.489.8000112.4D203 I205 R210 S211D203-L207 PolarHBondContact O-N 3.47Å; I205-L207 PolarHBondContact O-N 2.87Å; L207-R210 PolarHBondContact O-N 2.88Å; L207-S211 PolarHBondContact O-N 3.48Å; L207-S211 PolarHBondContact O-OG 3.43Å
208K49.1Very low48.3Very low119 Ų119111 Ų11152%0.51758%0.575SS.*Hα-helixtrans-66.8-38.3171.1-81.2172.8-175.3142.80111.5D204 S211 F212D204-K208 IonicContact OD1-NZ 3.77Å; D204-K208 IonicContact OD2-NZ 2.81Å; D204-K208 PolarHBondContact OD2-NZ 3.05Å; K208-S211 WeakPolarHBondContact CA-OG 3.47Å; K208-S211 PolarHBondContact O-N 3.31Å; K208-S211 PolarHBondContact O-OG 2.64Å; K208-F212 WeakPolarHBondContact O-CB 2.76Å; K208-F212 WeakPolarHBondContact O-CD2 3.44Å; K208-F212 PolarHBondContact O-N 2.9Å
209Q46.9Very low49.4Very low117 Ų117108.3 Ų108.355%0.54757%0.571SS.*Hα-helixtrans-68.7-36.6175-165164.32.900111.3I205 V213I205-Q209 WeakPolarHBondContact O-CB 3.31Å; I205-Q209 PolarHBondContact O-N 3.26Å; Q209-V213 HydrophobicContact CG-CG2 4.28Å; Q209-V213 WeakPolarHBondContact O-CB 3.43Å; Q209-V213 WeakPolarHBondContact O-CG2 3.21Å; Q209-V213 PolarHBondContact O-N 3.38Å
210R46Very low50.6Low186 Ų186105.9 Ų105.970%0.70256%0.555SS**Hα-helixtrans-65.6-42.3171.4-86176.9172.6168.5-0.4112.9T206 L207 V213 D214T206-R210 VanDerWaalsContact O-CB 3.3Å; T206-R210 WeakPolarHBondContact O-CB 3.41Å; T206-R210 WeakPolarHBondContact O-CG 3.45Å; T206-R210 PolarHBondContact O-N 3.2Å; L207-R210 PolarHBondContact O-N 2.88Å; R210-V213 PolarHBondContact O-N 3.32Å; R210-D214 WeakPolarHBondContact O-CB 3.1Å; R210-D214 PolarHBondContact O-N 3.38Å
211S51.7Low52Low70 Ų70105.4 Ų105.449%0.4954%0.542SS..Hα-helixtrans-70.2-34.4177.361.10000113.2L207 K208 A215L207-S211 PolarHBondContact O-N 3.48Å; L207-S211 PolarHBondContact O-OG 3.43Å; K208-S211 WeakPolarHBondContact CA-OG 3.47Å; K208-S211 PolarHBondContact O-N 3.31Å; K208-S211 PolarHBondContact O-OG 2.64Å; S211-A215 WeakPolarHBondContact O-CB 3.36Å; S211-A215 PolarHBondContact O-N 3.11Å; S211-A215 VanDerWaalsContact O-N 3.12Å
212F45.5Very low53.3Low145 Ų145101.1 Ų101.164%0.63652%0.52SS*.Hα-helixtrans-69.7-40.8172.2-98.1-92.7000111.5K208 E216K208-F212 WeakPolarHBondContact O-CB 2.76Å; K208-F212 WeakPolarHBondContact O-CD2 3.44Å; K208-F212 PolarHBondContact O-N 2.9Å; F212-E216 VanDerWaalsContact O-CB 3.26Å; F212-E216 WeakPolarHBondContact O-CB 3.39Å; F212-E216 WeakPolarHBondContact O-CG 3.4Å; F212-E216 PolarHBondContact O-N 2.79Å
213V47.3Very low54.6Low70 Ų7099.7 Ų99.742%0.42451%0.511SS..Hα-helixtrans-68-37.8177173.50000111Q209 R210 E216 V217Q209-V213 HydrophobicContact CG-CG2 4.28Å; Q209-V213 WeakPolarHBondContact O-CB 3.43Å; Q209-V213 WeakPolarHBondContact O-CG2 3.21Å; Q209-V213 PolarHBondContact O-N 3.38Å; R210-V213 PolarHBondContact O-N 3.32Å; V213-E216 CarbonylContact O-C 3.59Å; V213-E216 PolarHBondContact O-N 2.9Å; V213-V217 HydrophobicContact CG1-CG2 4.18Å; V213-V217 VanDerWaalsContact O-CB 3.27Å; V213-V217 WeakPolarHBondContact O-CB 3.46Å; V213-V217 WeakPolarHBondContact O-CG2 3.21Å; V213-V217 PolarHBondContact O-N 3.12Å
214D47.4Very low56.2Low115 Ų115100.1 Ų100.162%0.61552%0.516SS*.Hα-helixtrans-71.9-37.8178.3-129.511.1000112.3R210 V217 D218R210-D214 WeakPolarHBondContact O-CB 3.1Å; R210-D214 PolarHBondContact O-N 3.38Å; D214-V217 PolarHBondContact O-N 2.82Å; D214-D218 PolarHBondContact O-N 3.35Å
215A52.8Low57.9Low58 Ų5899 Ų9948%0.47952%0.517SS..Hα-helixtrans-68.6-37.217200000112.1S211 V219S211-A215 WeakPolarHBondContact O-CB 3.36Å; S211-A215 PolarHBondContact O-N 3.11Å; S211-A215 VanDerWaalsContact O-N 3.12Å; A215-V219 WeakPolarHBondContact O-CB 3.3Å; A215-V219 VanDerWaalsContact O-CG2 3.26Å; A215-V219 WeakPolarHBondContact O-CG2 3.25Å; A215-V219 PolarHBondContact O-N 3.17Å; A215-V219 VanDerWaalsContact O-N 3.1Å
216E51.7Low59.4Low121 Ų121102.7 Ų102.757%0.56552%0.524SS*.Hα-helixtrans-68.5-34171.1-81-174.9165.100112F212 V213 T220F212-E216 VanDerWaalsContact O-CB 3.26Å; F212-E216 WeakPolarHBondContact O-CB 3.39Å; F212-E216 WeakPolarHBondContact O-CG 3.4Å; F212-E216 PolarHBondContact O-N 2.79Å; V213-E216 CarbonylContact O-C 3.59Å; V213-E216 PolarHBondContact O-N 2.9Å; E216-T220 VanDerWaalsContact O-CB 3.26Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 WeakPolarHBondContact O-CG2 3.46Å; E216-T220 PolarHBondContact O-N 3.43Å; E216-T220 PolarHBondContact O-OG1 3.34Å
217V57.2Low60.9Low63 Ų63105 Ų10538%0.38253%0.531SS..Hα-helixtrans-67.8-40.4175.8166.70000110.8V213 D214 T220 R221V213-V217 HydrophobicContact CG1-CG2 4.18Å; V213-V217 VanDerWaalsContact O-CB 3.27Å; V213-V217 WeakPolarHBondContact O-CB 3.46Å; V213-V217 WeakPolarHBondContact O-CG2 3.21Å; V213-V217 PolarHBondContact O-N 3.12Å; D214-V217 PolarHBondContact O-N 2.82Å; V217-T220 WeakPolarHBondContact CA-OG1 3.33Å; V217-T220 PolarHBondContact O-OG1 3.34Å; V217-R221 WeakPolarHBondContact O-CA 3.33Å; V217-R221 WeakPolarHBondContact O-CB 3.49Å; V217-R221 PolarHBondContact O-N 3.27Å
218D58.7Low62.5Low82 Ų82108.1 Ų108.144%0.43953%0.534SS..Hα-helixtrans-69.6-39.2175.8-95.26.8000112.3D214 R221 D222D214-D218 PolarHBondContact O-N 3.35Å; D218-R221 IonicContact OD1-CZ 3.02Å; D218-R221 IonicContact OD1-NE 3.63Å; D218-R221 IonicContact OD1-NH1 2.73Å; D218-R221 PolarHBondContact OD1-NH1 3.05Å; D218-R221 IonicContact OD1-NH2 3.68Å; D218-R221 PolarHBondContact OD1-NH2 3.38Å; D218-R221 IonicContact OD2-NH2 3.86Å; D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 PolarHBondContact O-N 3.09Å
219V67.5Low64.2Low89 Ų89106.9 Ų106.954%0.53954%0.536SS..Hα-helixtrans-69.5-43.9175.11730000111.3A215 D222 I223A215-V219 WeakPolarHBondContact O-CB 3.3Å; A215-V219 VanDerWaalsContact O-CG2 3.26Å; A215-V219 WeakPolarHBondContact O-CG2 3.25Å; A215-V219 PolarHBondContact O-N 3.17Å; A215-V219 VanDerWaalsContact O-N 3.1Å; V219-D222 PolarHBondContact O-N 3.05Å; V219-I223 HydrophobicContact CG1-CD1 3.76Å; V219-I223 WeakPolarHBondContact O-CB 3.34Å; V219-I223 WeakPolarHBondContact O-CD1 3.48Å; V219-I223 WeakPolarHBondContact O-CG1 3.32Å; V219-I223 PolarHBondContact O-N 3.33Å
220T67.6Low65.7Low73 Ų73110.1 Ų110.145%0.44854%0.543SS..Hα-helixtrans-68.9-34175.247.10000111.8E216 V217 I223 V224E216-T220 VanDerWaalsContact O-CB 3.26Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 WeakPolarHBondContact O-CG2 3.46Å; E216-T220 PolarHBondContact O-N 3.43Å; E216-T220 PolarHBondContact O-OG1 3.34Å; V217-T220 WeakPolarHBondContact CA-OG1 3.33Å; V217-T220 PolarHBondContact O-OG1 3.34Å; T220-I223 PolarHBondContact O-N 3.2Å; T220-V224 WeakPolarHBondContact O-CB 3.45Å; T220-V224 WeakPolarHBondContact O-CG2 3.31Å; T220-V224 PolarHBondContact O-N 3.12Å
221R74.5Confident67.5Low149 Ų149106.3 Ų106.356%0.56253%0.529SS*.Hα-helixtrans-66.4-41.1173.5-171.4-179.473.3-137.8-5.3111.3V217 D218 S225V217-R221 WeakPolarHBondContact O-CA 3.33Å; V217-R221 WeakPolarHBondContact O-CB 3.49Å; V217-R221 PolarHBondContact O-N 3.27Å; D218-R221 IonicContact OD1-CZ 3.02Å; D218-R221 IonicContact OD1-NE 3.63Å; D218-R221 IonicContact OD1-NH1 2.73Å; D218-R221 PolarHBondContact OD1-NH1 3.05Å; D218-R221 IonicContact OD1-NH2 3.68Å; D218-R221 PolarHBondContact OD1-NH2 3.38Å; D218-R221 IonicContact OD2-NH2 3.86Å; R221-S225 WeakPolarHBondContact O-CB 3.4Å; R221-S225 PolarHBondContact O-N 3.41Å; R221-S225 PolarHBondContact O-OG 3.36Å; R221-S225 VanDerWaalsContact O-OG 3.08Å
222D75.8Confident69.1Low66 Ų66106 Ų10635%0.35352%0.524SS..Hα-helixtrans-65-41.4174.4-169.652.3000111.4D218 V219 S225 R226D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 PolarHBondContact O-N 3.09Å; V219-D222 PolarHBondContact O-N 3.05Å; D222-S225 PolarHBondContact O-OG 3.03Å; D222-R226 VanDerWaalsContact CG-CZ 3.45Å; D222-R226 VanDerWaalsContact CG-NH2 3.32Å; D222-R226 WeakPolarHBondContact O-CB 3.45Å; D222-R226 VanDerWaalsContact O-CG 3.26Å; D222-R226 WeakPolarHBondContact O-CG 3.42Å; D222-R226 PolarHBondContact O-N 3.45Å; D222-R226 IonicContact OD1-CZ 3.75Å; D222-R226 IonicContact OD1-NE 2.67Å; D222-R226 PolarHBondContact OD1-NE 2.67Å; D222-R226 IonicContact OD1-NH2 3.74Å; D222-R226 PolarHBondContact OD1-NH2 2.87Å; D222-R226 IonicContact OD2-CZ 4Å; D222-R226 IonicContact OD2-NE 2.94Å; D222-R226 PolarHBondContact OD2-NE 3.16Å; D222-R226 IonicContact OD2-NH1 2.76Å; D222-R226 PolarHBondContact OD2-NH1 2.86Å; D222-R226 IonicContact OD2-NH2 2.91Å; D222-R226 PolarHBondContact OD2-NH2 2.83Å
223I74.8Confident71Confident91 Ų91110 Ų11047%0.46754%0.535SS..Hα-helixtrans-63.9-48.9175.2-67164000111.3V219 T220 S225 R226 E227V219-I223 HydrophobicContact CG1-CD1 3.76Å; V219-I223 WeakPolarHBondContact O-CB 3.34Å; V219-I223 WeakPolarHBondContact O-CD1 3.48Å; V219-I223 WeakPolarHBondContact O-CG1 3.32Å; V219-I223 PolarHBondContact O-N 3.33Å; T220-I223 PolarHBondContact O-N 3.2Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.96Å; I223-R226 PolarHBondContact O-N 3.32Å; I223-E227 WeakPolarHBondContact O-CB 3.49Å; I223-E227 PolarHBondContact O-N 3.24Å
224V76.9Confident72.9Confident85 Ų85111 Ų11152%0.51554%0.541SS..Hα-helixtrans-68.8-31.5-178.9174.20000111.5T220 R226T220-V224 WeakPolarHBondContact O-CB 3.45Å; T220-V224 WeakPolarHBondContact O-CG2 3.31Å; T220-V224 PolarHBondContact O-N 3.12Å; V224-R226 VanDerWaalsContact C-N 3.32Å
225S80.9Confident74.7Confident87 Ų87107.7 Ų107.761%0.60853%0.525SS*.Hα-helixtrans-73.1-25.6176.571.70000113R221 D222 I223R221-S225 WeakPolarHBondContact O-CB 3.4Å; R221-S225 PolarHBondContact O-N 3.41Å; R221-S225 PolarHBondContact O-OG 3.36Å; R221-S225 VanDerWaalsContact O-OG 3.08Å; D222-S225 PolarHBondContact O-OG 3.03Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.96Å
226R79.3Confident76.1Confident192 Ų192110.8 Ų110.873%0.72553%0.532SS*.Hα-helixtrans-96.7-19.4178.9-65.6175.9-170.4-1696.3113.4D222 I223 V224D222-R226 VanDerWaalsContact CG-CZ 3.45Å; D222-R226 VanDerWaalsContact CG-NH2 3.32Å; D222-R226 WeakPolarHBondContact O-CB 3.45Å; D222-R226 VanDerWaalsContact O-CG 3.26Å; D222-R226 WeakPolarHBondContact O-CG 3.42Å; D222-R226 PolarHBondContact O-N 3.45Å; D222-R226 IonicContact OD1-CZ 3.75Å; D222-R226 IonicContact OD1-NE 2.67Å; D222-R226 PolarHBondContact OD1-NE 2.67Å; D222-R226 IonicContact OD1-NH2 3.74Å; D222-R226 PolarHBondContact OD1-NH2 2.87Å; D222-R226 IonicContact OD2-CZ 4Å; D222-R226 IonicContact OD2-NE 2.94Å; D222-R226 PolarHBondContact OD2-NE 3.16Å; D222-R226 IonicContact OD2-NH1 2.76Å; D222-R226 PolarHBondContact OD2-NH1 2.86Å; D222-R226 IonicContact OD2-NH2 2.91Å; D222-R226 PolarHBondContact OD2-NH2 2.83Å; I223-R226 PolarHBondContact O-N 3.32Å; V224-R226 VanDerWaalsContact C-N 3.32Å
227E79.4Confident77.7Confident104 Ų104112.2 Ų112.249%0.48654%0.543SS..  trans-78.1140.6178.582.2-173.9172.600111.5I223 V229I223-E227 WeakPolarHBondContact O-CB 3.49Å; I223-E227 PolarHBondContact O-N 3.24Å; E227-V229 HydrophobicContact CG-CG2 4.46Å
228R82.3Confident78.9Confident189 Ų189115.9 Ų115.971%0.71356%0.556SS**  trans-112.2110.5172.5-176.6176.5-94.4-178.5-6.1108.9W230R228-W230 HydrophobicContact CG-CZ2 4.45Å; R228-W230 PolarHBondContact O-N 3.45Å
229V83.8Confident79.9Confident92 Ų92114.9 Ų114.956%0.55856%0.555SS**  trans-77.9105177.1-176.80000109.8E227 R231 T232E227-V229 HydrophobicContact CG-CG2 4.46Å; V229-R231 WeakPolarHBondContact CG1-O 3.21Å; V229-T232 HydrophobicContact CG1-CG2 3.85Å
230W78.9Confident80.2Confident186 Ų186114.9 Ų114.971%0.70556%0.556SS**  trans-80.8-24.7-177.2-7195.6000114.4R228R228-W230 HydrophobicContact CG-CZ2 4.45Å; R228-W230 PolarHBondContact O-N 3.45Å
231R83.4Confident80.7Confident106 Ų106115.1 Ų115.140%0.457%0.573SS.*  trans-144.6131.2-179.9-64.6-70.9-179.7175.9-5.8109.4V229 T235 I236V229-R231 WeakPolarHBondContact CG1-O 3.21Å; R231-T235 WeakPolarHBondContact CA-OG1 3.32Å; R231-I236 HydrophobicContact CB-CG1 4.39Å
232T86.1Confident80.9Confident62 Ų62113.6 Ų113.638%0.3857%0.57SS.*  trans-112.6166.4169.365.40000110.2V229 T234 T235 I236V229-T232 HydrophobicContact CG1-CG2 3.85Å; T232-T234 PolarHBondContact O-N 2.99Å; T232-T234 VanDerWaalsContact O-N 3.1Å; T232-T234 PolarHBondContact OG1-OG1 2.79Å; T232-T235 PolarHBondContact N-OG1 3.38Å; T232-T235 PolarHBondContact O-N 3Å; T232-T235 PolarHBondContact O-OG1 3.19Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.48Å; T232-T235 PolarHBondContact OG1-N 2.9Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 3.01Å
233R85.4Confident81.2Confident230 Ų230117.3 Ų117.387%0.86859%0.59SS**Hα-helixtrans-49.5-37.4174.8-73.3-177.4178.7171.80.1112.2L237R233-L237 WeakPolarHBondContact O-CG 3.44Å
234T86.6Confident81.4Confident91 Ų91117.6 Ų117.656%0.55859%0.588SS**Hα-helixtrans-74.7-38.7178.656.10000113.2T232 I236 L237T232-T234 PolarHBondContact O-N 2.99Å; T232-T234 VanDerWaalsContact O-N 3.1Å; T232-T234 PolarHBondContact OG1-OG1 2.79Å; T234-I236 VanDerWaalsContact C-N 3.27Å; T234-I236 PolarHBondContact O-N 2.92Å; T234-L237 PolarHBondContact O-N 3.46Å
235T84.4Confident81.7Confident46 Ų46116.3 Ų116.328%0.28258%0.583SS.*Hα-helixtrans-70.7-18.8178.664.50000114.2R231 T232R231-T235 WeakPolarHBondContact CA-OG1 3.32Å; T232-T235 PolarHBondContact N-OG1 3.38Å; T232-T235 PolarHBondContact O-N 3Å; T232-T235 PolarHBondContact O-OG1 3.19Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.48Å; T232-T235 PolarHBondContact OG1-N 2.9Å
236I82.9Confident81.5Confident122 Ų122120.4 Ų120.463%0.62659%0.59SS**Hα-helixtrans-77.7-30.5175.6-64.9168.4000110.5R231 T232 T234 Q238R231-I236 HydrophobicContact CB-CG1 4.39Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 3.01Å; T234-I236 VanDerWaalsContact C-N 3.27Å; T234-I236 PolarHBondContact O-N 2.92Å; I236-Q238 PolarHBondContact O-N 2.79Å
237L84.7Confident81.7Confident152 Ų152116.6 Ų116.680%0.79658%0.584SS**SBendtrans-76.5-12177.7-61.1176.2000113R233 T234R233-L237 WeakPolarHBondContact O-CG 3.44Å; T234-L237 PolarHBondContact O-N 3.46Å
238Q82.3Confident82.1Confident139 Ų139116 Ų11665%0.6558%0.583SS**SBendtrans-109.7130.1-178.7-64.1178.90.600110.4I236 T240I236-Q238 PolarHBondContact O-N 2.79Å; Q238-T240 PolarHBondContact O-N 2.9Å
239S81.3Confident82.5Confident61 Ų61113.2 Ų113.243%0.42758%0.577SS.*  trans-74.4118.5174.6420000111.2G241 K242 F244S239-G241 PolarHBondContact O-N 3.21Å; S239-G241 VanDerWaalsContact O-N 3.14Å; S239-K242 PolarHBondContact OG-O 2.87Å; S239-F244 WeakPolarHBondContact OG-CE2 3.38Å
240T74Confident82.5Confident89 Ų89111.5 Ų111.555%0.54657%0.572SS.*THydrogen-bonded Turntrans-61.8115.5172.510.30000111Q238 K242Q238-T240 PolarHBondContact O-N 2.9Å; T240-K242 PolarHBondContact O-N 2.82Å
241G76.6Confident83Confident78 Ų78107.7 Ų107.780%0.80456%0.564SS**THydrogen-bonded Turntrans80.37.7171.400000116S239S239-G241 PolarHBondContact O-N 3.21Å; S239-G241 VanDerWaalsContact O-N 3.14Å
242K80Confident83.3Confident117 Ų117107.5 Ų107.551%0.50957%0.57SS.*  trans-133.4122.6175.4-63-168.6177-1710110.6S239 T240 F244S239-K242 PolarHBondContact OG-O 2.87Å; T240-K242 PolarHBondContact O-N 2.82Å; K242-F244 HydrophobicContact CB-CD2 4.34Å; K242-F244 HydrophobicContact CB-CE1 3.98Å; K242-F244 HydrophobicContact CB-CE2 3.62Å; K242-F244 HydrophobicContact CB-CZ 3.43Å; K242-F244 VanDerWaalsContact CB-CZ 3.43Å; K242-F244 HydrophobicContact CD-CE1 3.96Å; K242-F244 HydrophobicContact CD-CE2 4.38Å; K242-F244 HydrophobicContact CD-CZ 3.47Å; K242-F244 VanDerWaalsContact CD-CZ 3.47Å; K242-F244 HydrophobicContact CG-CZ 4.07Å
243N80.4Confident83.4Confident145 Ų145111.1 Ų111.178%0.77558%0.583SS**  trans-107.8101.2174.7-73.8-28.8000109S245N243-S245 VanDerWaalsContact C-N 3.34Å
244F80.9Confident83.3Confident96 Ų96103.5 Ų103.542%0.42157%0.565SS.*  trans-87.3-6.4-177.8-56-72000113.4S239 K242 K246 N247 I248S239-F244 WeakPolarHBondContact OG-CE2 3.38Å; K242-F244 HydrophobicContact CB-CD2 4.34Å; K242-F244 HydrophobicContact CB-CE1 3.98Å; K242-F244 HydrophobicContact CB-CE2 3.62Å; K242-F244 HydrophobicContact CB-CZ 3.43Å; K242-F244 VanDerWaalsContact CB-CZ 3.43Å; K242-F244 HydrophobicContact CD-CE1 3.96Å; K242-F244 HydrophobicContact CD-CE2 4.38Å; K242-F244 HydrophobicContact CD-CZ 3.47Å; K242-F244 VanDerWaalsContact CD-CZ 3.47Å; K242-F244 HydrophobicContact CG-CZ 4.07Å; F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.49Å; F244-N247 PolarHBondContact O-N 2.86Å; F244-N247 VanDerWaalsContact O-N 3.16Å; F244-I248 HydrophobicContact CB-CD1 3.53Å; F244-I248 HydrophobicContact CB-CG1 4.06Å; F244-I248 WeakPolarHBondContact O-CB 3.28Å; F244-I248 WeakPolarHBondContact O-CG1 3.44Å; F244-I248 PolarHBondContact O-N 2.95Å
245S81.6Confident83.4Confident58 Ų58102.5 Ų102.541%0.40656%0.558SS.*Hα-helixtrans-53-47-176.452.70000112.5N243 N247 I248 F249N243-S245 VanDerWaalsContact C-N 3.34Å; S245-N247 VanDerWaalsContact C-N 3.35Å; S245-N247 PolarHBondContact O-N 3.14Å; S245-I248 PolarHBondContact O-N 3.28Å; S245-F249 WeakPolarHBondContact O-CB 2.99Å; S245-F249 WeakPolarHBondContact O-CD2 3.42Å; S245-F249 WeakPolarHBondContact O-CG 3.28Å; S245-F249 PolarHBondContact O-N 3.23Å
246K77.8Confident83.6Confident174 Ų174105.9 Ų105.976%0.75757%0.569SS**Hα-helixtrans-63.2-39-178.6-65.5-172.1178.2-173.90113.1F244 A250F244-K246 VanDerWaalsContact C-N 3.33Å; F244-K246 PolarHBondContact O-N 3.49Å; K246-A250 WeakPolarHBondContact O-CB 3.38Å; K246-A250 PolarHBondContact O-N 3.3Å
247N83.4Confident83.6Confident111 Ų111101.6 Ų101.659%0.59455%0.552SS**Hα-helixtrans-78.2-42.2-179.4-62.6-6000111.2F244 S245 I251F244-N247 PolarHBondContact O-N 2.86Å; F244-N247 VanDerWaalsContact O-N 3.16Å; S245-N247 VanDerWaalsContact C-N 3.35Å; S245-N247 PolarHBondContact O-N 3.14Å; N247-I251 WeakPolarHBondContact O-CD1 3.29Å; N247-I251 WeakPolarHBondContact O-CG1 3.41Å; N247-I251 PolarHBondContact O-N 3.05Å
248I87.9Confident83.4Confident93 Ų93104 Ų10448%0.47755%0.55SS.*Hα-helixtrans-71.6-42.7-178.3-66.8176.8000110.8F244 S245 A250 I251 L252F244-I248 HydrophobicContact CB-CD1 3.53Å; F244-I248 HydrophobicContact CB-CG1 4.06Å; F244-I248 WeakPolarHBondContact O-CB 3.28Å; F244-I248 WeakPolarHBondContact O-CG1 3.44Å; F244-I248 PolarHBondContact O-N 2.95Å; S245-I248 PolarHBondContact O-N 3.28Å; I248-A250 PolarHBondContact O-N 3.01Å; I248-I251 PolarHBondContact O-N 3.27Å; I248-L252 HydrophobicContact CG2-CD1 3.83Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 3.41Å
249F89.6Confident83.4Confident130 Ų130105.1 Ų105.157%0.5756%0.556SS**Hα-helixtrans-68.1-33.7178.2-71.9-53.1000112.9S245 L252 Q253S245-F249 WeakPolarHBondContact O-CB 2.99Å; S245-F249 WeakPolarHBondContact O-CD2 3.42Å; S245-F249 WeakPolarHBondContact O-CG 3.28Å; S245-F249 PolarHBondContact O-N 3.23Å; F249-L252 HydrophobicContact CD1-CD1 4.45Å; F249-L252 PolarHBondContact O-N 2.87Å; F249-Q253 VanDerWaalsContact O-CB 3.32Å; F249-Q253 WeakPolarHBondContact O-CB 3.25Å; F249-Q253 WeakPolarHBondContact O-CG 3.47Å; F249-Q253 PolarHBondContact O-N 3.49Å
250A85.4Confident83.5Confident55 Ų55108 Ų10846%0.45556%0.562SS.*Hα-helixtrans-64.4-39.9174.200000112.1K246 I248 S254K246-A250 WeakPolarHBondContact O-CB 3.38Å; K246-A250 PolarHBondContact O-N 3.3Å; I248-A250 PolarHBondContact O-N 3.01Å; A250-S254 WeakPolarHBondContact O-CB 3.34Å; A250-S254 PolarHBondContact O-N 3.17Å; A250-S254 PolarHBondContact O-OG 3.28Å
251I88.6Confident83.4Confident107 Ų107106.9 Ų106.955%0.54957%0.569SS.*Hα-helixtrans-69.2-44175.2-63.6165.2000110.6N247 I248 Q253 S254 V255N247-I251 WeakPolarHBondContact O-CD1 3.29Å; N247-I251 WeakPolarHBondContact O-CG1 3.41Å; N247-I251 PolarHBondContact O-N 3.05Å; I248-I251 PolarHBondContact O-N 3.27Å; I251-Q253 VanDerWaalsContact C-N 3.32Å; I251-Q253 PolarHBondContact O-N 3.19Å; I251-S254 PolarHBondContact O-N 3.48Å; I251-S254 PolarHBondContact O-OG 3.47Å; I251-V255 HydrophobicContact CG2-CG2 4.35Å; I251-V255 VanDerWaalsContact O-CG2 3.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.33Å; I251-V255 PolarHBondContact O-N 3.44Å
252L89Confident82.9Confident101 Ų101112.9 Ų112.953%0.52957%0.567SS.*Hα-helixtrans-61.3-40.3176.1-92.4156.3000112I248 F249 K256I248-L252 HydrophobicContact CG2-CD1 3.83Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 3.41Å; F249-L252 HydrophobicContact CD1-CD1 4.45Å; F249-L252 PolarHBondContact O-N 2.87Å; L252-K256 WeakPolarHBondContact O-CB 3.41Å; L252-K256 PolarHBondContact O-N 3.04Å
253Q87.6Confident81.6Confident139 Ų139111.1 Ų111.165%0.6557%0.574SS**Hα-helixtrans-67.4-37.4175.1-83.1179.5-26.300112.4F249 I251 A257F249-Q253 VanDerWaalsContact O-CB 3.32Å; F249-Q253 WeakPolarHBondContact O-CB 3.25Å; F249-Q253 WeakPolarHBondContact O-CG 3.47Å; F249-Q253 PolarHBondContact O-N 3.49Å; I251-Q253 VanDerWaalsContact C-N 3.32Å; I251-Q253 PolarHBondContact O-N 3.19Å; Q253-A257 VanDerWaalsContact O-CB 3.23Å; Q253-A257 WeakPolarHBondContact O-CB 3.12Å; Q253-A257 PolarHBondContact O-N 2.89Å
254S83.8Confident80.4Confident69 Ų69110.1 Ų110.148%0.48358%0.576SS.*Hα-helixtrans-72.2-37.2177.970.60000112.4A250 I251 R258A250-S254 WeakPolarHBondContact O-CB 3.34Å; A250-S254 PolarHBondContact O-N 3.17Å; A250-S254 PolarHBondContact O-OG 3.28Å; I251-S254 PolarHBondContact O-N 3.48Å; I251-S254 PolarHBondContact O-OG 3.47Å; S254-R258 WeakPolarHBondContact O-CB 3.45Å; S254-R258 PolarHBondContact O-N 2.83Å
255V88.6Confident78.8Confident70 Ų70112.9 Ų112.942%0.42459%0.59SS.*Hα-helixtrans-63-48.7171.3172.70000109.8I251 A257 R258 E259I251-V255 HydrophobicContact CG2-CG2 4.35Å; I251-V255 VanDerWaalsContact O-CG2 3.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.33Å; I251-V255 PolarHBondContact O-N 3.44Å; V255-A257 PolarHBondContact O-N 2.92Å; V255-R258 WeakPolarHBondContact O-CB 3.38Å; V255-R258 PolarHBondContact O-N 2.84Å; V255-R258 VanDerWaalsContact O-N 3.16Å; V255-E259 WeakPolarHBondContact O-CG 3.13Å; V255-E259 PolarHBondContact O-N 2.79Å
256K89.6Confident77.2Confident118 Ų118119.4 Ų119.451%0.51361%0.614SS.*Hα-helixtrans-60.2-44.6176.9-176.1172177.1173.10112.3L252 R258 E259 E260L252-K256 WeakPolarHBondContact O-CB 3.41Å; L252-K256 PolarHBondContact O-N 3.04Å; K256-R258 VanDerWaalsContact C-N 3.27Å; K256-R258 PolarHBondContact O-N 3.23Å; K256-E259 PolarHBondContact O-N 3.01Å; K256-E260 WeakPolarHBondContact CE-OE1 2.98Å; K256-E260 HydrophobicContact CG-CG 4.34Å; K256-E260 IonicContact NZ-OE1 3.98Å; K256-E260 VanDerWaalsContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CB 3.09Å; K256-E260 VanDerWaalsContact O-CG 3.26Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.23Å
257A83.5Confident75.2Confident31 Ų31120.9 Ų120.926%0.25662%0.615SS.*Hα-helixtrans-64.2-32177.200000112.6Q253 V255 E260 G261 R262Q253-A257 VanDerWaalsContact O-CB 3.23Å; Q253-A257 WeakPolarHBondContact O-CB 3.12Å; Q253-A257 PolarHBondContact O-N 2.89Å; V255-A257 PolarHBondContact O-N 2.92Å; A257-E260 CarbonylContact O-C 3.55Å; A257-G261 PolarHBondContact O-N 3.26Å; A257-G261 VanDerWaalsContact O-N 3.16Å; A257-R262 PolarHBondContact O-N 3.1Å
258R79.9Confident73.2Confident202 Ų202121.7 Ų121.776%0.76263%0.626SS**Hα-helixtrans-73.8-39.1175.2-168.6176.1-176.8-176.10.5112.1S254 V255 K256 E260 G261S254-R258 WeakPolarHBondContact O-CB 3.45Å; S254-R258 PolarHBondContact O-N 2.83Å; V255-R258 WeakPolarHBondContact O-CB 3.38Å; V255-R258 PolarHBondContact O-N 2.84Å; V255-R258 VanDerWaalsContact O-N 3.16Å; K256-R258 VanDerWaalsContact C-N 3.27Å; K256-R258 PolarHBondContact O-N 3.23Å; R258-E260 VanDerWaalsContact C-N 3.32Å; R258-G261 PolarHBondContact O-N 3.1Å
259E82.1Confident71.1Confident163 Ų163122 Ų12276%0.76264%0.643SS**Hα-helixtrans-66.2-35.1171.6-72.4-179.8164.400111.7V255 K256 G261V255-E259 WeakPolarHBondContact O-CG 3.13Å; V255-E259 PolarHBondContact O-N 2.79Å; K256-E259 PolarHBondContact O-N 3.01Å; E259-G261 PolarHBondContact O-N 3.12Å
260E84.1Confident68.5Low121 Ų121125 Ų12557%0.56566%0.658SS**THydrogen-bonded Turntrans-825.6175.1-68.4176.317200113.4K256 A257 R258 R262K256-E260 WeakPolarHBondContact CE-OE1 2.98Å; K256-E260 HydrophobicContact CG-CG 4.34Å; K256-E260 IonicContact NZ-OE1 3.98Å; K256-E260 VanDerWaalsContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CB 3.09Å; K256-E260 VanDerWaalsContact O-CG 3.26Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 3.23Å; A257-E260 CarbonylContact O-C 3.55Å; R258-E260 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 3.48Å
261G72Confident66.3Low66 Ų66130.1 Ų130.168%0.6868%0.678SS**THydrogen-bonded Turntrans76.617.4171.500000116.3A257 R258 E259A257-G261 PolarHBondContact O-N 3.26Å; A257-G261 VanDerWaalsContact O-N 3.16Å; R258-G261 PolarHBondContact O-N 3.1Å; E259-G261 PolarHBondContact O-N 3.12Å
262R64.8Low63.6Low205 Ų205131.5 Ų131.577%0.77469%0.692SS**  trans-105.385.8175.4-71.6-177.8177.6173.5-0.2111.2A257 E260A257-R262 PolarHBondContact O-N 3.1Å; E260-R262 PolarHBondContact O-N 3.48Å
263A53.1Low61.2Low79 Ų79132.9 Ų132.965%0.65371%0.705SS**  trans-113.8138.1168.100000110.7
264P55.3Low58.7Low125 Ų125135.7 Ų135.781%0.81272%0.718SS**PPolyproline II helixtrans-79.6129.2166.624.2-15.8000110.3
265E47.3Very low56.1Low154 Ų154138.4 Ų138.472%0.7273%0.731SS**PPolyproline II helixtrans-61.7124.8-179.5-142.6-173.8131.700111.4R267E265-R267 IonicContact OE1-NE 2.81Å; E265-R267 PolarHBondContact OE1-NE 3.18Å; E265-R267 IonicContact OE1-NH2 2.75Å
266Q48.7Very low53.2Low194 Ų194141.9 Ų141.991%0.90775%0.748SS**PPolyproline II helixtrans-89.9122.1164.6-80.1179.9-1100108.9
267R35.9Very low51Low205 Ų205141.1 Ų141.177%0.77476%0.755SS**PPolyproline II helixtrans-102.2146.2167.9-75.3-173.5-171.8177.85111.7E265E265-R267 IonicContact OE1-NE 2.81Å; E265-R267 PolarHBondContact OE1-NE 3.18Å; E265-R267 IonicContact OE1-NH2 2.75Å
268P41.3Very low48.4Very low128 Ų128144.6 Ų144.683%0.83178%0.777SS**PPolyproline II helixtrans-85.7163-176.933.7-30.6000113.5
269A43.6Very low46.3Very low101 Ų101142.3 Ų142.384%0.83578%0.779SS**PPolyproline II helixtrans-63.7145-171.100000115.6
270Q35.3Very low44Very low191 Ų191145.4 Ų145.489%0.89378%0.784SS**  trans-137.2126.7158.7-85.6-177.7-24.800111
271N38.8Very low41.5Very low163 Ų163146.1 Ų146.187%0.87279%0.791SS**  trans-69.4135161.8-86.1-19.6000109.7
272T32.2Very low39.6Very low137 Ų137152.8 Ų152.884%0.8480%0.802SS**  trans-162.1127.4143.218.80000110.7
273T37.1Very low38.2Very low129 Ų129151.6 Ų151.679%0.79181%0.805SS**  trans-55.2139.4161.219.50000112.1
274Q35.2Very low37.5Very low198 Ų198153.5 Ų153.593%0.92581%0.811SS**  trans-164.2153.2146.6-107.517241.100111.4
275V29.8Very low36.9Very low126 Ų126154.1 Ų154.176%0.76481%0.812SS**  trans-120142.1-151.8-173.10000110.6
276D28.8Very low36.6Very low144 Ų144152.8 Ų152.877%0.7782%0.816SS**  trans67.3164.3154.3-107.6-13000121.9
277P43.1Very low36.3Very low102 Ų102148.3 Ų148.366%0.66281%0.813SS**  cis-137.5172.3-15.925.2-2000116.1
278S29.2Very low36.5Very low103 Ų103143 Ų14372%0.7281%0.812SS**  trans86.2108.5151.980.70000119.5
279L34.4Very low36.6Very low155 Ų155147.6 Ų147.681%0.81282%0.815SS**  -177.6108107.6-91.8159.9000111.9
280R34.3Very low37.1Very low228 Ų228148.6 Ų148.686%0.8681%0.806SS**  trans72.983131.3-135.6166.1-170.2167.41.4120.1
281N31.4Very low37.8Very low136 Ų136150.1 Ų150.173%0.72780%0.804SS**  28.9107.5117.5-139.78.2000119.2
282K33.1Very low38.4Very low205 Ų205152.6 Ų152.689%0.89180%0.802SS**  trans-143.7106.5136.7-79.2-165.3179.9-179.10109
283Q35.3Very low39.2Very low180 Ų180150.9 Ų150.984%0.84179%0.788SS**PPolyproline II helixtrans-74.4139.8161.6-79.9179.2-26.100110.1
284P38Very low39.7Very low120 Ų120152.4 Ų152.478%0.77979%0.786SS**PPolyproline II helixtrans-98.4138.4150.9117.4000111.7
285V42Very low40.6Very low138 Ų138151.4 Ų151.484%0.83678%0.782SS**PPolyproline II helixtrans-47.1153.9165.1-123.70000112.4A287V285-A287 PolarHBondContact O-N 2.87Å
286P41.2Very low41.6Very low125 Ų125155.5 Ų155.581%0.81278%0.783SS**PPolyproline II helixtrans-79.4124.6-165.130.4-26.4000111.7
287A41.8Very low42.5Very low101 Ų101157.7 Ų157.784%0.83579%0.786SS**PPolyproline II helixtrans-82139.2172.600000110.9V285V285-A287 PolarHBondContact O-N 2.87Å
288A40.9Very low42.7Very low92 Ų92162.4 Ų162.476%0.7680%0.796SS**PPolyproline II helixtrans-55.4147.9-174.100000114.7N290A288-N290 PolarHBondContact O-N 2.98Å
289Y42.6Very low44Very low225 Ų225160.5 Ų160.588%0.88279%0.793SS**  trans-53.6114.5179-158.8-99.5000112
290N54.8Low44.5Very low122 Ų122162 Ų16265%0.65279%0.793SS**  trans-103.5118.7178.3-123.2-24.6000109.6A288 Y292 D293A288-N290 PolarHBondContact O-N 2.98Å; N290-Y292 PolarHBondContact O-N 3.15Å; N290-D293 PolarHBondContact O-N 3.47Å
291R50.9Low45.3Very low224 Ų224159.6 Ų159.685%0.84579%0.792SS**THydrogen-bonded Turntrans-64.2-4.2-173.5-159.7175.3-159169.46.8114.8
292Y50.9Low45.9Very low215 Ų215162.1 Ų162.184%0.84380%0.799SS**THydrogen-bonded Turntrans-106.43.7-178.3-87.3-87.4000114.4N290 Q294N290-Y292 PolarHBondContact O-N 3.15Å; Y292-Q294 VanDerWaalsContact C-N 3.27Å; Y292-Q294 PolarHBondContact O-N 2.94Å
293D48.5Very low46.7Very low100 Ų100156.8 Ų156.854%0.53578%0.784SS.*G310 helixtrans-84.810177.5-103.9-25000114.4N290 E295 R296N290-D293 PolarHBondContact O-N 3.47Å; D293-E295 PolarHBondContact O-N 3.39Å; D293-E295 VanDerWaalsContact O-N 3.12Å; D293-R296 PolarHBondContact O-N 2.78Å
294Q46.8Very low47.3Very low162 Ų162157.3 Ų157.376%0.75779%0.786SS**G310 helixtrans-65.1-9.8176.1-88.1-175.8-5.900114.3Y292Y292-Q294 VanDerWaalsContact C-N 3.27Å; Y292-Q294 PolarHBondContact O-N 2.94Å
295E54.7Low47.9Very low177 Ų177155.2 Ų155.283%0.82779%0.786SS**G310 helixtrans-86.2-9.6178.8-60.3-138.9150.300113.9D293 F297D293-E295 PolarHBondContact O-N 3.39Å; D293-E295 VanDerWaalsContact O-N 3.12Å; E295-F297 VanDerWaalsContact C-N 3.34Å; E295-F297 PolarHBondContact O-N 2.8Å
296R50.8Low48Very low211 Ų211156 Ų15680%0.79678%0.779SS**G310 helixtrans-79.5-9.7177.5-89.8-178.1173.7-133.5-0115D293D293-R296 PolarHBondContact O-N 2.78Å
297F48.2Very low48.6Very low190 Ų190160.6 Ų160.683%0.83379%0.786SS**G310 helixtrans-117.79.9-178.1-74.4-77.8000115.4E295 G299E295-F297 VanDerWaalsContact C-N 3.34Å; E295-F297 PolarHBondContact O-N 2.8Å; F297-G299 PolarHBondContact O-N 2.89Å; F297-G299 VanDerWaalsContact O-N 3.11Å
298K47.8Very low49.1Very low201 Ų201161.1 Ų161.187%0.87477%0.774SS**SBendtrans-87.652.2171.2-81.6-158.7176.8-175.50112.8
299G54.8Low49.8Very low64 Ų64161.5 Ų161.566%0.6676%0.763SS**SBendtrans-164.544.1-175.700000114.1F297F297-G299 PolarHBondContact O-N 2.89Å; F297-G299 VanDerWaalsContact O-N 3.11Å
300K45.1Very low50.4Low186 Ų186156.9 Ų156.981%0.80976%0.758SS**SBendtrans-176.3128.6151-103.8163.8-174.9-167.60111.3
301E51Low50.4Low177 Ų177159.1 Ų159.183%0.82777%0.767SS**  trans49.787.7147.9-68.7173.8137.200118.9
302E44.6Very low50.7Low189 Ų189150.1 Ų150.188%0.88374%0.744SS**  trans-153.375.2143.9-76.9-161.8163.700110.5
303T49.9Very low50.9Low93 Ų93146 Ų14657%0.57174%0.741SS**  trans-151.684.1137.3-33.70000106.7G305 F306T303-G305 PolarHBondContact O-N 2.92Å; T303-F306 WeakPolarHBondContact CG2-O 3.49Å
304E48.5Very low51.4Low191 Ų191148.8 Ų148.889%0.89375%0.745SS**  trans-58103.6174.9-64.8-169.5149.800109.9F306E304-F306 VanDerWaalsContact C-N 3.33Å; E304-F306 PolarHBondContact O-N 3.48Å
305G50.9Low51Low76 Ų76149.7 Ų149.778%0.78475%0.749SS**SBendtrans81.3-20.4161.600000118.1T303T303-G305 PolarHBondContact O-N 2.92Å
306F43.4Very low51.1Low155 Ų155144.9 Ų144.968%0.6875%0.747SS**  trans-106.5109.9177-70.7-87.6000110.6T303 E304 I308T303-F306 WeakPolarHBondContact CG2-O 3.49Å; E304-F306 VanDerWaalsContact C-N 3.33Å; E304-F306 PolarHBondContact O-N 3.48Å; F306-I308 HydrophobicContact CB-CD1 4.11Å; F306-I308 HydrophobicContact CB-CG1 4.1Å; F306-I308 PolarHBondContact O-N 3.17Å
307K54.1Low51.3Low222 Ų222140.3 Ų140.397%0.96574%0.736SS**  trans-71.466.9179.9-63.5178.1-179.2-176.40111.6
308I52.3Low51.8Low111 Ų111136.3 Ų136.357%0.56973%0.727SS**  trans-95.2115.8178.3-56.2175.3000108.2F306 T310F306-I308 HydrophobicContact CB-CD1 4.11Å; F306-I308 HydrophobicContact CB-CG1 4.1Å; F306-I308 PolarHBondContact O-N 3.17Å; I308-T310 HydrophobicContact CG2-CG2 4.46Å; I308-T310 PolarHBondContact O-N 3.13Å
309D55Low51.8Low101 Ų101134.2 Ų134.254%0.5473%0.725SS.*  trans-82106.2173.2-170.3-6.1000109.4M311D309-M311 VanDerWaalsContact C-N 3.28Å; D309-M311 PolarHBondContact O-N 3.08Å; D309-M311 PolarHBondContact OD1-N 2.95Å
310T54.3Low51.5Low127 Ų127139.7 Ų139.778%0.77973%0.73SS**THydrogen-bonded Turntrans-81.7-3.2-177.454.10000113.5I308I308-T310 HydrophobicContact CG2-CG2 4.46Å; I308-T310 PolarHBondContact O-N 3.13Å
311M56.8Low52Low170 Ų170133.9 Ų133.984%0.83771%0.713SS**THydrogen-bonded Turntrans-116.65.8179.6-62.5-147.673.400114D309D309-M311 VanDerWaalsContact C-N 3.28Å; D309-M311 PolarHBondContact O-N 3.08Å; D309-M311 PolarHBondContact OD1-N 2.95Å
312G55.6Low52.1Low35 Ų35130.5 Ų130.536%0.36170%0.704SS.*  trans-84.3130.3175.900000113.6
313T55.6Low52.3Low128 Ų128127 Ų12779%0.78570%0.696SS**  trans-81.4118.4167.2-82.60000109.9H315T313-H315 VanDerWaalsContact C-N 3.3Å; T313-H315 HydrophobicContact CG2-CB 3.78Å; T313-H315 PolarHBondContact O-N 2.92Å
314Y59.8Low52.2Low158 Ų158131.1 Ų131.162%0.6271%0.709SS**  trans-91.348.6176.9-74.8-87.9000113M317Y314-M317 HydrophobicContact CD1-SD 3.99Å; Y314-M317 HydrophobicContact CE1-SD 4.12Å
315H37.9Very low51.6Low182 Ų182125.5 Ų125.584%0.84370%0.702SS**  trans-93.3106.8172-157.173.3000109.3T313T313-H315 VanDerWaalsContact C-N 3.3Å; T313-H315 HydrophobicContact CG2-CB 3.78Å; T313-H315 PolarHBondContact O-N 2.92Å
316G56.8Low51.3Low75 Ų75126.8 Ų126.877%0.77371%0.705SS**SBendtrans116.57.8170.700000117.7
317M54.9Low51Low115 Ų115125.3 Ų125.357%0.56771%0.714SS**  trans-96.4130.2174.4-66.9-178.579.600111.4Y314Y314-M317 HydrophobicContact CD1-SD 3.99Å; Y314-M317 HydrophobicContact CE1-SD 4.12Å
318T58.6Low50Low106 Ų106119.7 Ų119.765%0.6571%0.709SS**  trans-79.7145.7177.651.70000111.7K320 S321T318-K320 PolarHBondContact O-N 3.32Å; T318-S321 PolarHBondContact O-N 3.36Å; T318-S321 PolarHBondContact O-OG 2.95Å
319L47Very low49.3Very low158 Ų158126.7 Ų126.783%0.82773%0.728SS**G310 helixtrans-49.3-24.2-172.8-131104.4000116
320K50.2Low48.2Very low179 Ų179132 Ų13278%0.77875%0.746SS**G310 helixtrans-72.5-22.6180-64.9-170.6177-1750114.4T318 V322 T323T318-K320 PolarHBondContact O-N 3.32Å; K320-V322 VanDerWaalsContact C-N 3.33Å; K320-T323 PolarHBondContact O-OG1 3.48Å
321S55Low47.2Very low64 Ų64130.9 Ų130.945%0.44875%0.75SS.*G310 helixtrans-86.6-1.4-178.6580000114.1T318T318-S321 PolarHBondContact O-N 3.36Å; T318-S321 PolarHBondContact O-OG 2.95Å
322V53.3Low46Very low106 Ų106131.9 Ų131.964%0.64275%0.753SS**SBendtrans-105.1-10.8-175.9-162.40000111.9K320K320-V322 VanDerWaalsContact C-N 3.33Å
323T49Very low44.9Very low115 Ų115136.5 Ų136.571%0.70677%0.774SS**SBendtrans-101.2-14.1-175.148.30000115.3K320 G325K320-T323 PolarHBondContact O-OG1 3.48Å; T323-G325 PolarHBondContact O-N 3.45Å
324E46.4Very low43.9Very low180 Ų180136.7 Ų136.784%0.84178%0.778SS**  trans-94.195.8178.8-94.9-177.4151.700111.6
325G36.4Very low42.6Very low73 Ų73133.7 Ų133.775%0.75379%0.786SS**  trans-69.4156.6168.200000113.2T323T323-G325 PolarHBondContact O-N 3.45Å
326A45.7Very low42.5Very low102 Ų102133.4 Ų133.484%0.84379%0.79SS**  trans-51.1126.5-171.500000116.6
327S35.3Very low41.6Very low125 Ų125138.2 Ų138.287%0.87479%0.792SS**  trans-161.6143.4141.7-85.90000112
328A34.5Very low40.7Very low103 Ų103139 Ų13985%0.85181%0.805SS**  trans76.880.717100000119.1
329R36.2Very low39.8Very low258 Ų258139.9 Ų139.997%0.97481%0.811SS**  trans-111.6114.5146.3-80-173.2178.5-178.90.9109.6
330K32.5Very low39.4Very low212 Ų212138.1 Ų138.192%0.92281%0.809SS**  trans-82.6149.8163.1-95.3179.7176.6176.30110.1
331A32.7Very low38.7Very low104 Ų104140.8 Ų140.886%0.8681%0.814SS**  trans-46.3134.6-167.900000117.6
332Q32.2Very low37.9Very low191 Ų191143 Ų14389%0.89383%0.827SS**  trans-118.5132.5154.3-105.7178.63.200109.2
333T33.1Very low37Very low133 Ų133144.7 Ų144.782%0.81684%0.837SS**PPolyproline II helixtrans-57.2137.217226.20000112A335T333-A335 PolarHBondContact O-N 2.94Å
334P34.9Very low36.4Very low131 Ų131144.3 Ų144.385%0.85183%0.834SS**PPolyproline II helixtrans-75.4118.417926.8-30.5000111.6
335A32.7Very low36.2Very low96 Ų96141.2 Ų141.279%0.79383%0.833SS**PPolyproline II helixtrans-76137.8166.900000110.8T333T333-A335 PolarHBondContact O-N 2.94Å
336L34.3Very low36.2Very low176 Ų176144.3 Ų144.392%0.92183%0.827SS**PPolyproline II helixtrans-63.5132.6178.8-71.1155.5000112
337Q39Very low35.7Very low176 Ų176143.9 Ų143.982%0.82282%0.824SS**PPolyproline II helixtrans-71.6141.4171.8-63.8177.40.200111.3
338P36.5Very low35.7Very low130 Ų130149 Ų14984%0.84482%0.824SS**PPolyproline II helixtrans-79.8118.4168.33.911.3000111
339V39.1Very low35.6Very low126 Ų126148.8 Ų148.876%0.76481%0.814SS**PPolyproline II helixtrans-75.3140.7171-175.30000110.2
340P39Very low35.6Very low121 Ų121141.8 Ų141.879%0.78680%0.802SS**PPolyproline II helixtrans-70.5132-179.5-7.522.7000111.6
341R36.1Very low35.9Very low234 Ų234137.6 Ų137.688%0.88380%0.796SS**PPolyproline II helixtrans-91.4138.6168.1-76.1-178-136.9-151.71110.5
342P36.6Very low36.2Very low111 Ų111138.9 Ų138.972%0.72179%0.788SS**PPolyproline II helixtrans-70.4131.6169.827.9-31000110.5V344P342-V344 PolarHBondContact O-N 3.42Å
343V35.3Very low36.7Very low142 Ų142138 Ų13886%0.86178%0.784SS**  trans-81.5107.3178.2-78.50000110.2
344V36Very low37.2Very low106 Ų106141.5 Ų141.564%0.64279%0.788SS**  trans-85115.7163.1-178.60000107.3P342 Q346P342-V344 PolarHBondContact O-N 3.42Å; V344-Q346 PolarHBondContact O-N 3.38Å
345S41.8Very low38.1Very low116 Ų116144 Ų14481%0.81179%0.786SS**  trans-61107.9176.1430000111.1
346Q36.1Very low39.4Very low137 Ų137142 Ų14264%0.6477%0.774SS**  trans-100.5110.8158.8-72.4-173.520.200108V344 R348V344-Q346 PolarHBondContact O-N 3.38Å; Q346-R348 PolarHBondContact O-N 3.47Å
347A36.2Very low41.5Very low93 Ų93136.6 Ų136.677%0.76975%0.751SS**PPolyproline II helixtrans-61.3118.3174.400000109.7
348R34.6Very low43.8Very low234 Ų234134.6 Ų134.688%0.88374%0.736SS**PPolyproline II helixtrans-71.6132.3174.4-166.2179.3-169.9-174.13108.8Q346Q346-R348 PolarHBondContact O-N 3.47Å
349P32Very low46.4Very low98 Ų98130 Ų13064%0.63671%0.705SS**PPolyproline II helixtrans-62.7157.2169.125.9-30.9000110.3
350P36.2Very low49.1Very low111 Ų111124 Ų12472%0.72167%0.669SS**PPolyproline II helixtrans-58.3151.3-171.224.5-34000111.5N352P350-N352 PolarHBondContact O-N 3.4Å
351P40.5Very low51.8Low124 Ų124118.2 Ų118.281%0.80563%0.632SS**  trans-69.484.8171.430.7-30.9000108Q353P351-Q353 PolarHBondContact O-N 3.03Å
352N38.8Very low54.7Low130 Ų130107 Ų10770%0.69559%0.59SS**  trans-46.8128155.9-147.50.9000106.2P350 K354P350-N352 PolarHBondContact O-N 3.4Å; N352-K354 PolarHBondContact O-N 3.38Å
353Q42.5Very low57.6Low173 Ų173101.8 Ų101.881%0.80856%0.555SS**SBendtrans-15.1114.2176.2-65.7170.2-300110.7P351 K355P351-Q353 PolarHBondContact O-N 3.03Å; Q353-K355 VanDerWaalsContact C-N 3.28Å; Q353-K355 PolarHBondContact O-N 2.84Å
354K43.3Very low60.4Low207 Ų20795.1 Ų95.190%0.952%0.515SS*.  trans-42.197-176.1-75.6-178.8-178.5172.30108.3N352 G356N352-K354 PolarHBondContact O-N 3.38Å; K354-G356 VanDerWaalsContact C-N 3.34Å; K354-G356 PolarHBondContact O-N 2.9Å
355K52.9Low63.1Low184 Ų18490.4 Ų90.480%0.849%0.487SS*.  trans-59.2111168-84.7-178.8175.6178.60102Q353 S357Q353-K355 VanDerWaalsContact C-N 3.28Å; Q353-K355 PolarHBondContact O-N 2.84Å; K355-S357 PolarHBondContact O-N 3.07Å
356G61.7Low65.3Low53 Ų5388 Ų8855%0.54647%0.473SS..  trans-45.4139.7178.700000108.5K354 R358K354-G356 VanDerWaalsContact C-N 3.34Å; K354-G356 PolarHBondContact O-N 2.9Å; G356-R358 PolarHBondContact O-N 2.73Å
357S77.6Confident67.6Low62 Ų6282.5 Ų82.543%0.43445%0.452SS..  trans-49.3131.1179177.70000108.7K355 T359 R441K355-S357 PolarHBondContact O-N 3.07Å; S357-T359 VanDerWaalsContact C-N 3.27Å; S357-T359 PolarHBondContact OG-N 2.63Å; S357-T359 PolarHBondContact OG-OG1 2.85Å; S357-R441 WeakPolarHBondContact O-CD 3.43Å; S357-R441 PolarHBondContact OG-NH1 2.76Å
358R86.8Confident69.8Low134 Ų13483.6 Ų83.651%0.50645%0.449SS..  trans-93.28.8179-66.1176.470.5138.6-5.1112.2G356 P360 H528 R530G356-R358 PolarHBondContact O-N 2.73Å; R358-P360 WeakPolarHBondContact O-CD 3.49Å; R358-H528 PolarHBondContact NE-O 2.93Å; R358-H528 VanDerWaalsContact NH2-C 3.35Å; R358-H528 PolarHBondContact NH2-O 3.07Å; R358-R530 HydrophobicContact CB-CB 4.1Å; R358-R530 PolarHBondContact O-N 3.02Å
359T92.2Very high72.3Confident33 Ų3377.8 Ų77.820%0.20244%0.44CS..  trans-74121.1-179.1-55.10000109.5S357 P424 R426 R441S357-T359 VanDerWaalsContact C-N 3.27Å; S357-T359 PolarHBondContact OG-N 2.63Å; S357-T359 PolarHBondContact OG-OG1 2.85Å; T359-P424 HydrophobicContact CG2-CB 4.18Å; T359-P424 HydrophobicContact CG2-CG 4.29Å; T359-P424 WeakPolarHBondContact CG2-O 2.93Å; T359-R426 HydrophobicContact CG2-CB 4.37Å; T359-R441 PolarHBondContact O-NH1 3.41Å
360P95Very high75Confident0 Ų074.1 Ų74.10%042%0.416CS..  trans-64.5147.6176.526.2-35.3000112.4R358 P424 Y425 R426 R441 V443 M522 L529R358-P360 WeakPolarHBondContact O-CD 3.49Å; P360-P424 WeakPolarHBondContact CD-O 3.36Å; P360-Y425 HydrophobicContact CB-CD1 3.79Å; P360-Y425 HydrophobicContact CB-CE1 3.83Å; P360-Y425 HydrophobicContact CG-CD1 3.35Å; P360-Y425 HydrophobicContact CG-CD2 4.41Å; P360-Y425 HydrophobicContact CG-CE1 3.39Å; P360-Y425 HydrophobicContact CG-CE2 4.46Å; P360-Y425 HydrophobicContact CG-CG 3.87Å; P360-R426 PolarHBondContact O-N 3.43Å; P360-R441 CarbonylContact C-O 3.54Å; P360-R441 WeakPolarHBondContact CA-O 3.39Å; P360-V443 HydrophobicContact CB-CG1 3.92Å; P360-V443 HydrophobicContact CB-CG2 3.82Å; P360-M522 HydrophobicContact CB-CE 3.67Å; P360-M522 HydrophobicContact CG-CE 3.98Å; P360-L529 HydrophobicContact CB-CD1 4.21Å
361I96.1Very high77.7Confident0 Ų070.2 Ų70.20%039%0.389CS..EExtended strand (participates in β ladder)trans-114.9134.4-178.7-52.7179.7000109.9R426 I428 L434 D438 R441 V442 V443I361-R426 CarbonylContact C-O 3.55Å; I361-R426 VanDerWaalsContact CA-O 3.25Å; I361-R426 WeakPolarHBondContact CA-O 3.46Å; I361-R426 HydrophobicContact CG1-CB 4.29Å; I361-I428 HydrophobicContact CG2-CD1 4.14Å; I361-I428 HydrophobicContact CG2-CG1 4.06Å; I361-L434 HydrophobicContact CD1-CD2 4Å; I361-D438 HydrophobicContact CD1-CB 4.07Å; I361-R441 HydrophobicContact CD1-CB 4.09Å; I361-R441 HydrophobicContact CG1-CB 4.06Å; I361-R441 PolarHBondContact N-O 3.07Å; I361-V442 HydrophobicContact CB-CG2 4.16Å; I361-V442 HydrophobicContact CG2-CG2 4.31Å; I361-V442 WeakPolarHBondContact O-CA 3.5Å; I361-V443 PolarHBondContact O-N 3.35Å
362I96.6Very high80.2Confident0 Ų064.3 Ų64.30%035%0.351CS..EExtended strand (participates in β ladder)trans-114.2127.5172.9-57.3177.8000107.7L381 Y425 R426 V427 I428 V443 A444 F446 F514 W515I362-L381 HydrophobicContact CD1-CD1 4.18Å; I362-Y425 HydrophobicContact CD1-CD1 3.87Å; I362-Y425 HydrophobicContact CD1-CG 4.37Å; I362-Y425 HydrophobicContact CG1-CD1 4.15Å; I362-R426 PolarHBondContact N-O 2.83Å; I362-V427 HydrophobicContact CB-CG2 4.29Å; I362-V427 WeakPolarHBondContact O-CA 3.38Å; I362-I428 PolarHBondContact O-N 3.27Å; I362-I428 VanDerWaalsContact O-N 3.07Å; I362-V443 HydrophobicContact CG1-CG2 4.42Å; I362-A444 WeakPolarHBondContact CA-O 3.28Å; I362-A444 HydrophobicContact CG1-CB 4.27Å; I362-A444 HydrophobicContact CG2-CB 4.19Å; I362-F446 HydrophobicContact CG2-CD2 4.1Å; I362-F446 HydrophobicContact CG2-CE2 3.9Å; I362-F514 HydrophobicContact CD1-CZ 4.43Å; I362-W515 HydrophobicContact CD1-CH2 4.03Å; I362-W515 HydrophobicContact CD1-CZ3 4.38Å
363I96.4Very high82.9Confident1 Ų158.9 Ų58.91%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-100.5128.9177.2-56.2171.5000108.9I428 P431 L434 W439 V442 A444 V445 F446 W457I363-I428 WeakPolarHBondContact CA-O 3.24Å; I363-I428 HydrophobicContact CG1-CD1 4.19Å; I363-I428 HydrophobicContact CG1-CG1 4.03Å; I363-P431 HydrophobicContact CD1-CB 4.25Å; I363-P431 HydrophobicContact CG2-CB 4.37Å; I363-L434 HydrophobicContact CD1-CD1 4.26Å; I363-W439 HydrophobicContact CD1-CH2 4.21Å; I363-W439 HydrophobicContact CD1-CZ3 3.85Å; I363-V442 HydrophobicContact CD1-CB 4.46Å; I363-V442 HydrophobicContact CD1-CG1 3.57Å; I363-V442 HydrophobicContact CD1-CG2 3.99Å; I363-V442 HydrophobicContact CG1-CG1 3.96Å; I363-A444 PolarHBondContact N-O 2.89Å; I363-V445 HydrophobicContact CB-CG2 4.38Å; I363-V445 CarbonylContact O-C 3.28Å; I363-V445 WeakPolarHBondContact O-CA 3.5Å; I363-F446 PolarHBondContact O-N 3.46Å; I363-W457 HydrophobicContact CB-CH2 4.04Å; I363-W457 HydrophobicContact CD1-CH2 3.55Å; I363-W457 HydrophobicContact CD1-CZ2 4.22Å; I363-W457 HydrophobicContact CD1-CZ3 3.86Å; I363-W457 HydrophobicContact CG1-CH2 4.4Å; I363-W457 HydrophobicContact CG2-CH2 3.67Å; I363-W457 HydrophobicContact CG2-CZ2 3.84Å
364I95.4Very high85.3Confident1 Ų151.2 Ų51.21%0.00529%0.287CS..  trans-110.8155.7172.564.4169000110.3I372 M374 A377 V427 I428 D429 F446I364-I372 HydrophobicContact CG2-CD1 3.76Å; I364-I372 HydrophobicContact CG2-CG1 4.04Å; I364-I372 HydrophobicContact CG2-CG2 4.42Å; I364-M374 HydrophobicContact CD1-CG 3.91Å; I364-M374 HydrophobicContact CD1-SD 3.48Å; I364-M374 WeakPolarHBondContact CD1-SD 3.37Å; I364-M374 HydrophobicContact CG1-SD 3.98Å; I364-A377 HydrophobicContact CD1-CB 4.39Å; I364-V427 HydrophobicContact CD1-CG1 4.06Å; I364-V427 HydrophobicContact CG1-CG1 4.09Å; I364-V427 HydrophobicContact CG2-CG1 3.85Å; I364-I428 WeakPolarHBondContact CG1-O 3.2Å; I364-I428 PolarHBondContact N-O 3.34Å; I364-D429 HydrophobicContact CD1-CB 4.5Å; I364-D429 HydrophobicContact CG1-CB 3.93Å; I364-D429 WeakPolarHBondContact O-CA 3.14Å; I364-F446 HydrophobicContact CG2-CD2 3.79Å; I364-F446 HydrophobicContact CG2-CE2 4.4Å; I364-F446 HydrophobicContact CG2-CG 4.41Å
365P92.3Very high87.6Confident8 Ų842.4 Ų42.45%0.05225%0.249CC..  trans-66.7142.3176.228.3-35.8000110.7A367 S370 F446 Q448P365-A367 PolarHBondContact O-N 2.89Å; P365-S370 VanDerWaalsContact CG-OG 3.23Å; P365-S370 WeakPolarHBondContact CG-OG 3.42Å; P365-F446 WeakPolarHBondContact CD-O 3.23Å; P365-Q448 HydrophobicContact CB-CB 4.5Å
366A87.3Confident89.6Confident64 Ų6433.7 Ų33.753%0.52921%0.211SC..  trans-75.90.9173.700000113.6D429A366-D429 HydrophobicContact CB-CB 4.38Å
367A85.8Confident91.1Very high23 Ų2331.1 Ų31.119%0.1919%0.185CC..  trans-73127.5-178.200000111.5P365 T369 S370P365-A367 PolarHBondContact O-N 2.89Å; A367-T369 PolarHBondContact O-N 3.06Å; A367-S370 VanDerWaalsContact O-CB 3.24Å; A367-S370 WeakPolarHBondContact O-CB 3.37Å; A367-S370 PolarHBondContact O-N 2.79Å; A367-S370 VanDerWaalsContact O-N 3.13Å
368T82.3Confident91.8Very high116 Ų11633.1 Ų33.171%0.71219%0.186SC*.THydrogen-bonded Turntrans-65.4-24.1178.149.80000113.3S370T368-S370 VanDerWaalsContact C-N 3.31Å
369T85.7Confident92.1Very high112 Ų11227.9 Ų27.969%0.68717%0.168SC*.THydrogen-bonded Turntrans-83.7-4.3177.758.50000113.4A367A367-T369 PolarHBondContact O-N 3.06Å
370S90.1Very high92.2Very high20 Ų2026.3 Ų26.314%0.1416%0.159CC..SBendtrans-68.3145.5177.2176.80000111.2P365 A367 T368 I372 T373P365-S370 VanDerWaalsContact CG-OG 3.23Å; P365-S370 WeakPolarHBondContact CG-OG 3.42Å; A367-S370 VanDerWaalsContact O-CB 3.24Å; A367-S370 WeakPolarHBondContact O-CB 3.37Å; A367-S370 PolarHBondContact O-N 2.79Å; A367-S370 VanDerWaalsContact O-N 3.13Å; T368-S370 VanDerWaalsContact C-N 3.31Å; S370-I372 VanDerWaalsContact CB-O 3.3Å; S370-I372 WeakPolarHBondContact CB-O 3.44Å; S370-I372 PolarHBondContact O-N 3.48Å; S370-I372 PolarHBondContact OG-N 3.04Å; S370-I372 PolarHBondContact OG-O 2.75Å; S370-T373 WeakPolarHBondContact O-CG2 3.25Å
371L92.3Very high92.2Very high29 Ų2926.4 Ų26.415%0.15216%0.159CC..SBendtrans-66.1-29.3173.5-63.2-174.6000112.3N376 F386 L478 Y480L371-N376 PolarHBondContact O-ND2 3.35Å; L371-F386 HydrophobicContact CB-CE2 4.05Å; L371-F386 HydrophobicContact CB-CZ 4.4Å; L371-F386 HydrophobicContact CD2-CZ 4.22Å; L371-F386 WeakPolarHBondContact O-CE2 3.08Å; L371-L478 HydrophobicContact CB-CD2 3.76Å; L371-L478 HydrophobicContact CB-CG 4.1Å; L371-L478 HydrophobicContact CD1-CG 4.17Å; L371-Y480 HydrophobicContact CD1-CD1 4.43Å; L371-Y480 HydrophobicContact CD1-CD2 4.21Å; L371-Y480 HydrophobicContact CD1-CE1 4.39Å; L371-Y480 HydrophobicContact CD1-CE2 4.2Å; L371-Y480 HydrophobicContact CD1-CG 4.33Å; L371-Y480 HydrophobicContact CD2-CD2 4.07Å; L371-Y480 HydrophobicContact CD2-CE1 4.3Å; L371-Y480 HydrophobicContact CD2-CE2 3.33Å; L371-Y480 VanDerWaalsContact CD2-CZ 3.45Å; L371-Y480 WeakPolarHBondContact CD2-OH 2.99Å; L371-Y480 HydrophobicContact CG-CE2 4.4Å
372I94.1Very high92Very high1 Ų129.2 Ų29.21%0.00517%0.172CC..SBendtrans-110.6126.8173.4-171.5171000109.9I364 S370 A377 L380 L381 F446 L478I364-I372 HydrophobicContact CG2-CD1 3.76Å; I364-I372 HydrophobicContact CG2-CG1 4.04Å; I364-I372 HydrophobicContact CG2-CG2 4.42Å; S370-I372 VanDerWaalsContact CB-O 3.3Å; S370-I372 WeakPolarHBondContact CB-O 3.44Å; S370-I372 PolarHBondContact O-N 3.48Å; S370-I372 PolarHBondContact OG-N 3.04Å; S370-I372 PolarHBondContact OG-O 2.75Å; I372-A377 HydrophobicContact CD1-CB 4.49Å; I372-A377 HydrophobicContact CG1-CB 4.28Å; I372-L380 HydrophobicContact CB-CD1 4.25Å; I372-L380 HydrophobicContact CD1-CD1 4.45Å; I372-L380 HydrophobicContact CD1-CD2 3.9Å; I372-L380 HydrophobicContact CG1-CD1 4.27Å; I372-L381 HydrophobicContact CD1-CD1 4.18Å; I372-L381 HydrophobicContact CD1-CG 4.31Å; I372-F446 HydrophobicContact CD1-CD1 4.36Å; I372-F446 HydrophobicContact CD1-CD2 4.08Å; I372-F446 HydrophobicContact CD1-CE1 4.08Å; I372-F446 HydrophobicContact CD1-CE2 3.78Å; I372-F446 HydrophobicContact CD1-CG 4.35Å; I372-F446 HydrophobicContact CD1-CZ 3.79Å; I372-F446 HydrophobicContact CG2-CB 4.05Å; I372-F446 HydrophobicContact CG2-CD1 3.82Å; I372-F446 HydrophobicContact CG2-CE1 4.41Å; I372-F446 HydrophobicContact CG2-CG 3.89Å; I372-L478 HydrophobicContact CB-CD2 4.11Å; I372-L478 HydrophobicContact CG2-CD2 4.46Å
373T94Very high91.8Very high16 Ų1633.2 Ų33.210%0.09819%0.193CC..  trans-138.8169.8179.171.10000110S370 L375 N376 A377 S389S370-T373 WeakPolarHBondContact O-CG2 3.25Å; T373-L375 PolarHBondContact O-N 2.98Å; T373-L375 PolarHBondContact OG1-N 3.18Å; T373-N376 PolarHBondContact N-OD1 2.98Å; T373-N376 PolarHBondContact O-N 3.32Å; T373-N376 PolarHBondContact O-OD1 3.42Å; T373-A377 VanDerWaalsContact O-CB 3.27Å; T373-A377 WeakPolarHBondContact O-CB 3.25Å; T373-A377 PolarHBondContact O-N 3.14Å; T373-S389 VanDerWaalsContact CG2-OG 3.24Å; T373-S389 WeakPolarHBondContact CG2-OG 3.3Å; T373-S389 PolarHBondContact OG1-OG 3.25Å
374M93.6Very high91.6Very high11 Ų1134.1 Ų34.15%0.05420%0.198CC..THydrogen-bonded Turntrans-60.3-19.4177.8-67.3-59-76.400113.3I364 R399 V403 V427 D429I364-M374 HydrophobicContact CD1-CG 3.91Å; I364-M374 HydrophobicContact CD1-SD 3.48Å; I364-M374 WeakPolarHBondContact CD1-SD 3.37Å; I364-M374 HydrophobicContact CG1-SD 3.98Å; M374-R399 HydrophobicContact CB-CG 4.29Å; M374-V403 HydrophobicContact CE-CB 4.12Å; M374-V403 HydrophobicContact CE-CG2 3.67Å; M374-V427 WeakPolarHBondContact CE-O 3.3Å; M374-V427 HydrophobicContact SD-CG1 4.04Å; M374-D429 HydrophobicContact CG-CB 3.88Å; M374-D429 WeakPolarHBondContact CG-OD2 3.3Å; M374-D429 HydrophobicContact SD-CB 4.11Å
375L92.4Very high91.4Very high23 Ų2340 Ų4012%0.1222%0.224CC..THydrogen-bonded Turntrans-79.4-33.2179.8-65.6173000113.4T373 K392 K393 I397 R399T373-L375 PolarHBondContact O-N 2.98Å; T373-L375 PolarHBondContact OG1-N 3.18Å; L375-K392 HydrophobicContact CB-CB 4.19Å; L375-K393 HydrophobicContact CD1-CD 4.49Å; L375-K393 HydrophobicContact CD1-CG 3.79Å; L375-I397 HydrophobicContact CD2-CG2 4.37Å; L375-R399 HydrophobicContact CD2-CB 3.93Å
376N93.3Very high91.5Very high0 Ų040 Ų400%022%0.223CC..THydrogen-bonded Turntrans-115.7-6.7-174.372.7-5.8000113.8L371 T373 K378 D379 L380 I387 K392L371-N376 PolarHBondContact O-ND2 3.35Å; T373-N376 PolarHBondContact N-OD1 2.98Å; T373-N376 PolarHBondContact O-N 3.32Å; T373-N376 PolarHBondContact O-OD1 3.42Å; N376-K378 PolarHBondContact O-N 2.81Å; N376-K378 VanDerWaalsContact O-N 3.14Å; N376-D379 PolarHBondContact O-N 3.08Å; N376-L380 VanDerWaalsContact O-CB 3.26Å; N376-L380 WeakPolarHBondContact O-CB 3.44Å; N376-L380 PolarHBondContact O-N 2.79Å; N376-I387 WeakPolarHBondContact CB-O 3.43Å; N376-I387 PolarHBondContact ND2-O 3.43Å; N376-K392 HydrophobicContact CB-CG 4.42Å
377A93.9Very high91.7Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-55.7-33.7-178.700000112.8I364 I372 T373 L381 V427I364-A377 HydrophobicContact CD1-CB 4.39Å; I372-A377 HydrophobicContact CD1-CB 4.49Å; I372-A377 HydrophobicContact CG1-CB 4.28Å; T373-A377 VanDerWaalsContact O-CB 3.27Å; T373-A377 WeakPolarHBondContact O-CB 3.25Å; T373-A377 PolarHBondContact O-N 3.14Å; A377-L381 VanDerWaalsContact O-CB 3.29Å; A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.45Å; A377-L381 PolarHBondContact O-N 3.04Å; A377-V427 HydrophobicContact CB-CG1 4.17Å
378K93.2Very high92Very high104 Ų10438.9 Ų38.945%0.45221%0.206SC..Hα-helixtrans-65.6-53.8176.8-170.2177.3179.1-178.10111.8N376 L380 Q382 D383 V403 L405N376-K378 PolarHBondContact O-N 2.81Å; N376-K378 VanDerWaalsContact O-N 3.14Å; K378-L380 PolarHBondContact O-N 3.1Å; K378-Q382 HydrophobicContact CG-CB 4.46Å; K378-Q382 WeakPolarHBondContact O-CA 3.24Å; K378-Q382 WeakPolarHBondContact O-CB 3.29Å; K378-Q382 PolarHBondContact O-N 3.3Å; K378-D383 PolarHBondContact O-N 2.99Å; K378-V403 HydrophobicContact CB-CG1 4.2Å; K378-L405 HydrophobicContact CB-CD2 4.11Å; K378-L405 HydrophobicContact CG-CD2 4.14Å
379D93Very high92.3Very high24 Ų2433.9 Ų33.913%0.12818%0.176CC..Hα-helixtrans-61.5-37.6179.6-50.5-101.5000111.6N376 D383 L384 K385 I387 K392N376-D379 PolarHBondContact O-N 3.08Å; D379-D383 CarbonylContact O-C 3.6Å; D379-D383 WeakPolarHBondContact O-CA 3.28Å; D379-D383 WeakPolarHBondContact O-CB 3.39Å; D379-D383 PolarHBondContact O-N 3.21Å; D379-L384 PolarHBondContact O-N 3.12Å; D379-K385 CarbonylContact C-O 3.5Å; D379-K385 VanDerWaalsContact C-O 3.28Å; D379-K385 PolarHBondContact O-N 3.09Å; D379-I387 HydrophobicContact CB-CD1 4.01Å; D379-I387 HydrophobicContact CB-CG1 4.41Å; D379-K392 WeakPolarHBondContact OD1-CE 3.45Å; D379-K392 IonicContact OD1-NZ 3.58Å; D379-K392 PolarHBondContact OD1-NZ 2.7Å; D379-K392 WeakPolarHBondContact OD2-CE 3.48Å; D379-K392 IonicContact OD2-NZ 3.38Å; D379-K392 PolarHBondContact OD2-NZ 3.45Å
380L93.8Very high92.5Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-72.2-49.3-176.2-170.6152.5000112.2I372 N376 K378 L384 K385 F386 L478 F511I372-L380 HydrophobicContact CB-CD1 4.25Å; I372-L380 HydrophobicContact CD1-CD1 4.45Å; I372-L380 HydrophobicContact CD1-CD2 3.9Å; I372-L380 HydrophobicContact CG1-CD1 4.27Å; N376-L380 VanDerWaalsContact O-CB 3.26Å; N376-L380 WeakPolarHBondContact O-CB 3.44Å; N376-L380 PolarHBondContact O-N 2.79Å; K378-L380 PolarHBondContact O-N 3.1Å; L380-L384 WeakPolarHBondContact O-CA 3.41Å; L380-L384 PolarHBondContact O-N 3.23Å; L380-K385 WeakPolarHBondContact CA-O 3.28Å; L380-K385 PolarHBondContact N-O 3.05Å; L380-F386 HydrophobicContact CD1-CD2 3.82Å; L380-F386 HydrophobicContact CD1-CE2 4.31Å; L380-L478 HydrophobicContact CD1-CD2 3.88Å; L380-F511 HydrophobicContact CD1-CE1 4.12Å; L380-F511 HydrophobicContact CD1-CZ 3.73Å; L380-F511 HydrophobicContact CD2-CD1 3.61Å; L380-F511 HydrophobicContact CD2-CE1 3.11Å; L380-F511 HydrophobicContact CD2-CE2 4.23Å; L380-F511 HydrophobicContact CD2-CG 4.39Å; L380-F511 HydrophobicContact CD2-CZ 3.48Å; L380-F511 VanDerWaalsContact CD2-CZ 3.48Å; L380-F511 HydrophobicContact CG-CD1 4.27Å; L380-F511 HydrophobicContact CG-CE1 3.56Å; L380-F511 HydrophobicContact CG-CE2 3.82Å; L380-F511 HydrophobicContact CG-CZ 3.29Å
381L94.1Very high92.5Very high1 Ų135.3 Ų35.31%0.00518%0.178CC..Hα-helixtrans-89.7-34.1-174.3-63.4177.2000113I362 I372 A377 L405 V427 F446 F514 W515I362-L381 HydrophobicContact CD1-CD1 4.18Å; I372-L381 HydrophobicContact CD1-CD1 4.18Å; I372-L381 HydrophobicContact CD1-CG 4.31Å; A377-L381 VanDerWaalsContact O-CB 3.29Å; A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.45Å; A377-L381 PolarHBondContact O-N 3.04Å; L381-L405 HydrophobicContact CB-CD1 3.6Å; L381-L405 HydrophobicContact CD1-CD1 3.71Å; L381-L405 HydrophobicContact CG-CD1 4.3Å; L381-V427 HydrophobicContact CD1-CG2 4.28Å; L381-F446 HydrophobicContact CD2-CE2 4.42Å; L381-F446 HydrophobicContact CD2-CZ 4.06Å; L381-F514 HydrophobicContact CD2-CD1 4.09Å; L381-F514 HydrophobicContact CD2-CE1 3.66Å; L381-F514 HydrophobicContact CD2-CZ 4.02Å; L381-W515 HydrophobicContact CB-CZ2 3.93Å; L381-W515 VanDerWaalsContact O-CZ2 3.3Å; L381-W515 WeakPolarHBondContact O-CZ2 3.29Å; L381-W515 PolarHBondContact O-NE1 3.23Å
382Q92.7Very high92.4Very high59 Ų5934.8 Ų34.828%0.27617%0.174SC..THydrogen-bonded Turntrans-90.4-48.9-179-167.9-179.1-63.100112K378 L405 Q406K378-Q382 HydrophobicContact CG-CB 4.46Å; K378-Q382 WeakPolarHBondContact O-CA 3.24Å; K378-Q382 WeakPolarHBondContact O-CB 3.29Å; K378-Q382 PolarHBondContact O-N 3.3Å; Q382-L405 HydrophobicContact CB-CD2 4.45Å; Q382-Q406 WeakPolarHBondContact CG-O 3.48Å
383D91.6Very high92.1Very high84 Ų8440.1 Ų40.145%0.44920%0.197SC..SBendtrans-91.9-4.1-175.2-52.9-38.6000112.6K378 D379 K385K378-D383 PolarHBondContact O-N 2.99Å; D379-D383 CarbonylContact O-C 3.6Å; D379-D383 WeakPolarHBondContact O-CA 3.28Å; D379-D383 WeakPolarHBondContact O-CB 3.39Å; D379-D383 PolarHBondContact O-N 3.21Å; D383-K385 PolarHBondContact O-N 3.16Å
384L93.3Very high91.9Very high21 Ų2147.3 Ų47.311%0.1123%0.227CC..  trans57.733.3178.7-48.9176.2000112.6D379 L380 R508 F511 L512D379-L384 PolarHBondContact O-N 3.12Å; L380-L384 WeakPolarHBondContact O-CA 3.41Å; L380-L384 PolarHBondContact O-N 3.23Å; L384-R508 HydrophobicContact CB-CG 4.12Å; L384-R508 HydrophobicContact CD1-CG 4.07Å; L384-F511 HydrophobicContact CB-CB 4.34Å; L384-F511 HydrophobicContact CD2-CB 3.63Å; L384-L512 HydrophobicContact CD1-CD2 3.73Å; L384-L512 HydrophobicContact CD1-CG 4.04Å
385K91.7Very high91.7Very high125 Ų12552.7 Ų52.754%0.54325%0.252SS..  trans-127.7126.8-175.8-177178.8178.6-1800110.4D379 L380 D383 I387D379-K385 CarbonylContact C-O 3.5Å; D379-K385 VanDerWaalsContact C-O 3.28Å; D379-K385 PolarHBondContact O-N 3.09Å; L380-K385 WeakPolarHBondContact CA-O 3.28Å; L380-K385 PolarHBondContact N-O 3.05Å; D383-K385 PolarHBondContact O-N 3.16Å; K385-I387 HydrophobicContact CD-CD1 4.49Å; K385-I387 HydrophobicContact CD-CG1 4.48Å; K385-I387 HydrophobicContact CG-CG1 4.35Å
386F93.5Very high91.2Very high6 Ų654.5 Ų54.53%0.02628%0.276CS..  trans-79.2126.7174.1-175.7-99000111.1L371 L380 T388 Y480 L499 D507 F511L371-F386 HydrophobicContact CB-CE2 4.05Å; L371-F386 HydrophobicContact CB-CZ 4.4Å; L371-F386 HydrophobicContact CD2-CZ 4.22Å; L371-F386 WeakPolarHBondContact O-CE2 3.08Å; L380-F386 HydrophobicContact CD1-CD2 3.82Å; L380-F386 HydrophobicContact CD1-CE2 4.31Å; F386-T388 HydrophobicContact CE1-CG2 3.92Å; F386-T388 HydrophobicContact CZ-CG2 4.49Å; F386-Y480 HydrophobicContact CE1-CE1 4.41Å; F386-L499 HydrophobicContact CB-CD1 4.36Å; F386-L499 HydrophobicContact CD2-CD1 3.43Å; F386-L499 VanDerWaalsContact CD2-CD1 3.43Å; F386-L499 HydrophobicContact CE2-CD1 3.8Å; F386-L499 HydrophobicContact CG-CD1 3.91Å; F386-D507 HydrophobicContact CB-CB 4.42Å; F386-D507 VanDerWaalsContact CB-OD2 3.27Å; F386-D507 WeakPolarHBondContact CB-OD2 3.43Å; F386-D507 PolarHBondContact N-OD2 3.33Å; F386-F511 HydrophobicContact CB-CE2 4.48Å
387I91.8Very high90.8Very high29 Ų2957.9 Ų57.915%0.14929%0.294CS..  trans-130.6136.8170.1-56.2177.8000107.1N376 D379 K385 D391 K392N376-I387 WeakPolarHBondContact CB-O 3.43Å; N376-I387 PolarHBondContact ND2-O 3.43Å; D379-I387 HydrophobicContact CB-CD1 4.01Å; D379-I387 HydrophobicContact CB-CG1 4.41Å; K385-I387 HydrophobicContact CD-CD1 4.49Å; K385-I387 HydrophobicContact CD-CG1 4.48Å; K385-I387 HydrophobicContact CG-CG1 4.35Å; I387-D391 HydrophobicContact CG2-CB 4.06Å; I387-K392 HydrophobicContact CG2-CD 4.47Å; I387-K392 HydrophobicContact CG2-CG 4Å
388T91.3Very high90.1Very high35 Ų3565.9 Ų65.922%0.21533%0.331CS..  trans-70.4150.6179.673.60000111.1F386 D390 D391 K392F386-T388 HydrophobicContact CE1-CG2 3.92Å; F386-T388 HydrophobicContact CZ-CG2 4.49Å; T388-D390 PolarHBondContact O-N 3.47Å; T388-D391 PolarHBondContact O-N 3.05Å; T388-D391 WeakPolarHBondContact OG1-CB 3.34Å; T388-D391 PolarHBondContact OG1-N 3.39Å; T388-D391 VanDerWaalsContact OG1-N 3.17Å; T388-D391 PolarHBondContact OG1-OD2 3.27Å; T388-K392 PolarHBondContact O-N 3.33Å
389S89.4Confident89.7Confident12 Ų1267.4 Ų67.48%0.08433%0.334CS..Hα-helixtrans-60.6-31.9175.8-57.60000112.1T373 K392 K393T373-S389 VanDerWaalsContact CG2-OG 3.24Å; T373-S389 WeakPolarHBondContact CG2-OG 3.3Å; T373-S389 PolarHBondContact OG1-OG 3.25Å; S389-K392 PolarHBondContact O-N 2.87Å; S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 2.85Å
390D89.8Confident89.3Confident95 Ų9571 Ų7151%0.50835%0.353SS..Hα-helixtrans-73.7-36.9-179.4-62.7-42.1000112.4T388 K392 K393 K394T388-D390 PolarHBondContact O-N 3.47Å; D390-K392 VanDerWaalsContact C-N 3.3Å; D390-K392 PolarHBondContact O-N 2.92Å; D390-K393 PolarHBondContact O-N 3.29Å; D390-K393 IonicContact OD1-NZ 3.32Å; D390-K394 WeakPolarHBondContact O-CG 3.21Å; D390-K394 PolarHBondContact O-N 3.02Å
391D90.3Very high88.9Confident67 Ų6776.3 Ų76.336%0.35838%0.381SS..Hα-helixtrans-64.9-37.3173.1-64-34.4000111.4I387 T388 K394 Q395I387-D391 HydrophobicContact CG2-CB 4.06Å; T388-D391 PolarHBondContact O-N 3.05Å; T388-D391 WeakPolarHBondContact OG1-CB 3.34Å; T388-D391 PolarHBondContact OG1-N 3.39Å; T388-D391 VanDerWaalsContact OG1-N 3.17Å; T388-D391 PolarHBondContact OG1-OD2 3.27Å; D391-K394 PolarHBondContact O-N 2.84Å; D391-K394 IonicContact OD1-NZ 3.57Å; D391-Q395 WeakPolarHBondContact O-CG 3.4Å; D391-Q395 PolarHBondContact O-N 3.4Å
392K90.1Very high88.6Confident18 Ų1879.9 Ų79.98%0.07840%0.398CS..Hα-helixtrans-65.6-39.1174-75-72.6-179.6170.40112.9L375 N376 D379 I387 T388 S389 D390 Q395 I397L375-K392 HydrophobicContact CB-CB 4.19Å; N376-K392 HydrophobicContact CB-CG 4.42Å; D379-K392 WeakPolarHBondContact OD1-CE 3.45Å; D379-K392 IonicContact OD1-NZ 3.58Å; D379-K392 PolarHBondContact OD1-NZ 2.7Å; D379-K392 WeakPolarHBondContact OD2-CE 3.48Å; D379-K392 IonicContact OD2-NZ 3.38Å; D379-K392 PolarHBondContact OD2-NZ 3.45Å; I387-K392 HydrophobicContact CG2-CD 4.47Å; I387-K392 HydrophobicContact CG2-CG 4Å; T388-K392 PolarHBondContact O-N 3.33Å; S389-K392 PolarHBondContact O-N 2.87Å; D390-K392 VanDerWaalsContact C-N 3.3Å; D390-K392 PolarHBondContact O-N 2.92Å; K392-Q395 PolarHBondContact O-N 3.36Å; K392-I397 HydrophobicContact CD-CD1 3.42Å; K392-I397 VanDerWaalsContact CD-CD1 3.42Å; K392-I397 PolarHBondContact O-N 3.17Å
393K87.8Confident88.6Confident112 Ų11277.6 Ų77.649%0.48739%0.388SS..Hα-helixtrans-64.1-41.5173.8-73.1172.9-171.71660111.8L375 S389 D390 Q395 G396L375-K393 HydrophobicContact CD1-CD 4.49Å; L375-K393 HydrophobicContact CD1-CG 3.79Å; S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 2.85Å; D390-K393 PolarHBondContact O-N 3.29Å; D390-K393 IonicContact OD1-NZ 3.32Å; K393-Q395 PolarHBondContact O-N 3.27Å; K393-G396 PolarHBondContact O-N 3.27Å
394K89.7Confident88.7Confident167 Ų16778.9 Ų78.973%0.72640%0.395SS*.Hα-helixtrans-61.5-30176.1-71.5172.1-1731700112.7D390 D391 G396D390-K394 WeakPolarHBondContact O-CG 3.21Å; D390-K394 PolarHBondContact O-N 3.02Å; D391-K394 PolarHBondContact O-N 2.84Å; D391-K394 IonicContact OD1-NZ 3.57Å; K394-G396 PolarHBondContact O-N 2.86Å
395Q88.3Confident88.7Confident125 Ų12578 Ų7858%0.58439%0.39SS*.THydrogen-bonded Turntrans-76.4-0.1173.8-68.2172.88.400113.6D391 K392 K393 I397D391-Q395 WeakPolarHBondContact O-CG 3.4Å; D391-Q395 PolarHBondContact O-N 3.4Å; K392-Q395 PolarHBondContact O-N 3.36Å; K393-Q395 PolarHBondContact O-N 3.27Å; Q395-I397 VanDerWaalsContact C-N 3.31Å; Q395-I397 HydrophobicContact CB-CD1 4.24Å; Q395-I397 HydrophobicContact CB-CG1 4.37Å; Q395-I397 PolarHBondContact O-N 2.91Å
396G82.8Confident88.7Confident60 Ų6078.1 Ų78.162%0.61939%0.392SS*.THydrogen-bonded Turntrans74.916.1177.600000114.6K393 K394 Q398K393-G396 PolarHBondContact O-N 3.27Å; K394-G396 PolarHBondContact O-N 2.86Å; G396-Q398 PolarHBondContact O-N 3.23Å
397I83.9Confident88.5Confident72 Ų7279.3 Ų79.337%0.36940%0.396SS..PPolyproline II helixtrans-71.7126.8179.8-66.5165.2000109.4L375 K392 Q395L375-I397 HydrophobicContact CD2-CG2 4.37Å; K392-I397 HydrophobicContact CD-CD1 3.42Å; K392-I397 VanDerWaalsContact CD-CD1 3.42Å; K392-I397 PolarHBondContact O-N 3.17Å; Q395-I397 VanDerWaalsContact C-N 3.31Å; Q395-I397 HydrophobicContact CB-CD1 4.24Å; Q395-I397 HydrophobicContact CB-CG1 4.37Å; Q395-I397 PolarHBondContact O-N 2.91Å
398Q79.6Confident88.2Confident168 Ų16887.5 Ų87.579%0.78543%0.426SS*.PPolyproline II helixtrans-78.4149.5175.2-62.9-138.5-15.400111.3G396G396-Q398 PolarHBondContact O-N 3.23Å
399R85.1Confident87.8Confident136 Ų13687.9 Ų87.951%0.51342%0.424SS..PPolyproline II helixtrans-80.2121.8177.7178.1-174.2172.6-164.22.4110.1M374 L375 D429M374-R399 HydrophobicContact CB-CG 4.29Å; L375-R399 HydrophobicContact CD2-CB 3.93Å; R399-D429 IonicContact CZ-OD2 2.65Å; R399-D429 IonicContact NE-OD2 2.86Å; R399-D429 IonicContact NH2-OD2 3.73Å; R399-D429 PolarHBondContact NH2-OD2 2.82Å
400D84.8Confident87.3Confident98 Ų9892.8 Ų92.852%0.52445%0.45SS..PPolyproline II helixtrans-86.3150.4168.7-66.4-38.8000111.7E402 V403D400-E402 VanDerWaalsContact C-N 3.32Å; D400-V403 HydrophobicContact CB-CG2 4.34Å
401N85.6Confident86.6Confident112 Ų11293.6 Ų93.660%0.59945%0.45SS*.SBendtrans-78.5-19.1173.1-70.8-42.6000112.8
402E88.1Confident85.8Confident77 Ų7796.6 Ų96.636%0.3647%0.465SS..  trans-147.5131.9-179.2179173.7164.400109D400 R426D400-E402 VanDerWaalsContact C-N 3.32Å; E402-R426 HydrophobicContact CG-CG 3.95Å; E402-R426 VanDerWaalsContact OE1-CD 3.22Å; E402-R426 WeakPolarHBondContact OE1-CD 3.42Å; E402-R426 VanDerWaalsContact OE1-CG 3.27Å; E402-R426 WeakPolarHBondContact OE1-CG 3.27Å; E402-R426 IonicContact OE1-CZ 2.78Å; E402-R426 IonicContact OE1-NE 3.18Å; E402-R426 PolarHBondContact OE1-NE 2.89Å; E402-R426 IonicContact OE1-NH2 3.76Å; E402-R426 IonicContact OE2-CZ 3.96Å; E402-R426 VanDerWaalsContact OE2-CZ 3.31Å; E402-R426 IonicContact OE2-NE 3.39Å; E402-R426 PolarHBondContact OE2-NE 2.85Å; E402-R426 IonicContact OE2-NH2 2.97Å; E402-R426 PolarHBondContact OE2-NH2 3.4Å
403V92.4Very high85Confident11 Ų11100.1 Ų100.17%0.06748%0.482CS..EExtended strand (participates in β ladder)trans-117.3123.5179170.80000108.9M374 K378 D400 L405 V427M374-V403 HydrophobicContact CE-CB 4.12Å; M374-V403 HydrophobicContact CE-CG2 3.67Å; K378-V403 HydrophobicContact CB-CG1 4.2Å; D400-V403 HydrophobicContact CB-CG2 4.34Å; V403-L405 HydrophobicContact CG1-CD2 3.84Å; V403-V427 HydrophobicContact CB-CB 4.2Å; V403-V427 PolarHBondContact N-O 3.24Å; V403-V427 PolarHBondContact O-N 2.71Å
404L93.6Very high83.6Confident111 Ų111101.5 Ų101.558%0.58150%0.502SS*.EExtended strand (participates in β ladder)trans-95.3119.6173.5-68.3173.6000109.9Y425 R426L404-Y425 CarbonylContact C-O 3.6Å; L404-Y425 WeakPolarHBondContact CA-O 3.19Å; L404-R426 HydrophobicContact CD2-CB 4.19Å; L404-R426 HydrophobicContact CD2-CG 4.43Å
405L93.5Very high82.8Confident1 Ų197.4 Ų97.41%0.00551%0.507CS..EExtended strand (participates in β ladder)trans-96.2146.3175.1-50.9176.5000110.1K378 L381 Q382 V403 P424 Y425 V427K378-L405 HydrophobicContact CB-CD2 4.11Å; K378-L405 HydrophobicContact CG-CD2 4.14Å; L381-L405 HydrophobicContact CB-CD1 3.6Å; L381-L405 HydrophobicContact CD1-CD1 3.71Å; L381-L405 HydrophobicContact CG-CD1 4.3Å; Q382-L405 HydrophobicContact CB-CD2 4.45Å; V403-L405 HydrophobicContact CG1-CD2 3.84Å; L405-P424 CarbonylContact O-C 3.59Å; L405-P424 VanDerWaalsContact O-CA 3.25Å; L405-P424 WeakPolarHBondContact O-CA 3.26Å; L405-Y425 PolarHBondContact N-O 3.07Å; L405-Y425 PolarHBondContact O-N 2.97Å; L405-V427 HydrophobicContact CD1-CG2 3.46Å; L405-V427 VanDerWaalsContact CD1-CG2 3.46Å; L405-V427 HydrophobicContact CD2-CG2 4.36Å; L405-V427 HydrophobicContact CG-CG2 3.73Å
406Q91.7Very high82Confident128 Ų12894.3 Ų94.360%0.59851%0.509SS*.EExtended strand (participates in β ladder)trans-119.992.9171.5-69.3-176.2-000109.1Q382 T422Q382-Q406 WeakPolarHBondContact CG-O 3.48Å; Q406-T422 HydrophobicContact CB-CG2 3.81Å; Q406-T422 HydrophobicContact CG-CG2 4.41Å
407R89.5Confident81.5Confident31 Ų3194.1 Ų94.112%0.11750%0.502CS..EExtended strand (participates in β ladder)trans-82128.9178.7178.4179.1172.5-144.9-8.9109.6T422 V423 Y425 W515 D519R407-T422 CarbonylContact O-C 3.1Å; R407-T422 WeakPolarHBondContact O-CA 3.22Å; R407-V423 PolarHBondContact N-O 2.77Å; R407-V423 PolarHBondContact O-N 3.13Å; R407-Y425 HydrophobicContact CB-CD2 4.14Å; R407-Y425 HydrophobicContact CB-CE2 3.99Å; R407-W515 VanDerWaalsContact NH1-CE3 3.31Å; R407-D519 IonicContact CZ-OD1 3.29Å; R407-D519 IonicContact CZ-OD2 3.38Å; R407-D519 VanDerWaalsContact CZ-OD2 3.32Å; R407-D519 IonicContact NH1-OD1 2.84Å; R407-D519 PolarHBondContact NH1-OD1 3.28Å; R407-D519 IonicContact NH1-OD2 2.64Å; R407-D519 PolarHBondContact NH1-OD2 2.94Å; R407-D519 VanDerWaalsContact NH1-OD2 3.09Å; R407-D519 IonicContact NH2-OD1 3.33Å; R407-D519 IonicContact NH2-OD2 3.32Å; R407-D519 PolarHBondContact NH2-OD2 3.11Å
408R85.3Confident81.2Confident201 Ų20195.7 Ų95.776%0.75852%0.515SS*.EExtended strand (participates in β ladder)trans-86.2133.4166.6-64.2-174.8-178.5-175.91.2109.3V421R408-V421 WeakPolarHBondContact CA-O 3.27Å
409K82.3Confident81.3Confident44 Ų4491.8 Ų91.819%0.19150%0.499CS..EExtended strand (participates in β ladder)trans-137.2127.3-178.7177.7176.3177.5174.50108.4Q411 V421 D519 F531K409-Q411 PolarHBondContact O-N 3.42Å; K409-V421 PolarHBondContact N-O 2.56Å; K409-V421 PolarHBondContact O-N 2.96Å; K409-D519 IonicContact NZ-OD1 3.03Å; K409-D519 PolarHBondContact NZ-OD1 2.9Å; K409-D519 IonicContact NZ-OD2 3.08Å; K409-F531 WeakPolarHBondContact CD-OXT 3.27Å; K409-F531 PolarHBondContact NZ-OXT 3.38Å
410D79.9Confident81.1Confident115 Ų11588.4 Ų88.462%0.61550%0.496SS*.EExtended strand (participates in β ladder)trans-83.1117.7174.3-61.5-42.7000108.9S420D410-S420 WeakPolarHBondContact OD1-CA 3.22Å; D410-S420 WeakPolarHBondContact OD1-CB 3.27Å
411Q75.2Confident81.1Confident111 Ų11185.6 Ų85.652%0.51948%0.483SS..EExtended strand (participates in β ladder)trans-102.4122.7175.9-169.6174.612.600108.9K409 Q413 L419 V421K409-Q411 PolarHBondContact O-N 3.42Å; Q411-Q413 PolarHBondContact O-N 3.01Å; Q411-L419 PolarHBondContact N-O 2.82Å; Q411-L419 PolarHBondContact O-N 2.65Å; Q411-V421 HydrophobicContact CB-CG2 4.17Å
412I72.9Confident81.2Confident130 Ų13083.3 Ų83.367%0.66747%0.472SS*.EExtended strand (participates in β ladder)trans-79.3115.6175-58.1167.5000107.3T418I412-T418 HydrophobicContact CG1-CG2 4.31Å
413Q73.8Confident81.3Confident92 Ų9279.8 Ų79.843%0.4346%0.456SS..  trans-77.2153.2175.2-74.9-173.276.300111.2Q411 G415 G416 A417 L419Q411-Q413 PolarHBondContact O-N 3.01Å; Q413-G415 PolarHBondContact O-N 2.92Å; Q413-G416 PolarHBondContact O-N 3.06Å; Q413-A417 WeakPolarHBondContact CB-O 3.47Å; Q413-A417 PolarHBondContact N-O 3.21Å; Q413-L419 HydrophobicContact CG-CB 4.48Å
414P57.9Low81.4Confident141 Ų14181.1 Ų81.192%0.91647%0.465SS*.THydrogen-bonded Turntrans-60.2108.2168.56.3-0.7000108.2
415G72.4Confident81.4Confident81 Ų8175.8 Ų75.884%0.83544%0.437SS*.THydrogen-bonded Turntrans126.3-1.8-168.400000114.7Q413 A417Q413-G415 PolarHBondContact O-N 2.92Å; G415-A417 VanDerWaalsContact C-N 3.29Å; G415-A417 PolarHBondContact O-N 2.8Å
416G71.6Confident81.5Confident61 Ų6178.1 Ų78.163%0.62945%0.446SS*.SBendtrans83.1-3.9171.700000115.2Q413Q413-G416 PolarHBondContact O-N 3.06Å
417A72.1Confident81.7Confident55 Ų5572 Ų7246%0.45542%0.418SS..  trans-76.1124.9175.200000111.3Q413 G415Q413-A417 WeakPolarHBondContact CB-O 3.47Å; Q413-A417 PolarHBondContact N-O 3.21Å; G415-A417 VanDerWaalsContact C-N 3.29Å; G415-A417 PolarHBondContact O-N 2.8Å
418T78.3Confident82Confident106 Ų10671 Ų7165%0.6541%0.414SS*.EExtended strand (participates in β ladder)trans-83.1117.6174.550.60000110.6I412I412-T418 HydrophobicContact CG1-CG2 4.31Å
419L80.6Confident82.4Confident85 Ų8561.8 Ų61.845%0.44538%0.38SS..EExtended strand (participates in β ladder)trans-106.3118.3173.2-17867000110Q411 Q413 V421Q411-L419 PolarHBondContact N-O 2.82Å; Q411-L419 PolarHBondContact O-N 2.65Å; Q413-L419 HydrophobicContact CG-CB 4.48Å; L419-V421 HydrophobicContact CD2-CG2 4.17Å; L419-V421 HydrophobicContact CG-CG2 4.19Å; L419-V421 PolarHBondContact O-N 3.06Å
420S80.7Confident82.8Confident65 Ų6563 Ų6346%0.45539%0.387SS..EExtended strand (participates in β ladder)trans-73.7107.6172.1164.10000110.2D410D410-S420 WeakPolarHBondContact OD1-CA 3.22Å; D410-S420 WeakPolarHBondContact OD1-CB 3.27Å
421V84.8Confident83.3Confident40 Ų4058.4 Ų58.424%0.24236%0.363CS..EExtended strand (participates in β ladder)trans-98.3137.4175.9-178.70000109.8R408 K409 Q411 L419 V423R408-V421 WeakPolarHBondContact CA-O 3.27Å; K409-V421 PolarHBondContact N-O 2.56Å; K409-V421 PolarHBondContact O-N 2.96Å; Q411-V421 HydrophobicContact CB-CG2 4.17Å; L419-V421 HydrophobicContact CD2-CG2 4.17Å; L419-V421 HydrophobicContact CG-CG2 4.19Å; L419-V421 PolarHBondContact O-N 3.06Å; V421-V423 HydrophobicContact CG1-CG2 4.36Å
422T88.6Confident83.9Confident63 Ų6359.5 Ų59.539%0.38737%0.371SS..EExtended strand (participates in β ladder)trans-98.6124.3171.4-54.70000110.3Q406 R407Q406-T422 HydrophobicContact CB-CG2 3.81Å; Q406-T422 HydrophobicContact CG-CG2 4.41Å; R407-T422 CarbonylContact O-C 3.1Å; R407-T422 WeakPolarHBondContact O-CA 3.22Å
423V90.2Very high84.6Confident4 Ų460.6 Ų60.62%0.02437%0.371CS..EExtended strand (participates in β ladder)trans-111.2122.8-177.4177.20000109.7R407 V421 Y425 F531R407-V423 PolarHBondContact N-O 2.77Å; R407-V423 PolarHBondContact O-N 3.13Å; V421-V423 HydrophobicContact CG1-CG2 4.36Å; V423-Y425 HydrophobicContact CB-CD2 4.45Å; V423-Y425 HydrophobicContact CB-CE2 3.85Å; V423-Y425 HydrophobicContact CG1-CD2 3.8Å; V423-Y425 HydrophobicContact CG1-CE2 3.21Å; V423-F531 VanDerWaalsContact CG1-CA 3.5Å; V423-F531 HydrophobicContact CG1-CB 4.14Å; V423-F531 WeakPolarHBondContact CG2-OXT 3.06Å
424P93.6Very high85.4Confident38 Ų3857 Ų5725%0.24736%0.355CS..EExtended strand (participates in β ladder)trans-78.4135.7172.931.5-31.9000111.1T359 P360 L405T359-P424 HydrophobicContact CG2-CB 4.18Å; T359-P424 HydrophobicContact CG2-CG 4.29Å; T359-P424 WeakPolarHBondContact CG2-O 2.93Å; P360-P424 WeakPolarHBondContact CD-O 3.36Å; L405-P424 CarbonylContact O-C 3.59Å; L405-P424 VanDerWaalsContact O-CA 3.25Å; L405-P424 WeakPolarHBondContact O-CA 3.26Å
425Y95Very high87Confident0 Ų052 Ų520%033%0.325CS..EExtended strand (participates in β ladder)trans-122.6147167.4-69.7-104.8000109.8P360 I362 L404 L405 R407 V423 V443 W515 L518 M522P360-Y425 HydrophobicContact CB-CD1 3.79Å; P360-Y425 HydrophobicContact CB-CE1 3.83Å; P360-Y425 HydrophobicContact CG-CD1 3.35Å; P360-Y425 HydrophobicContact CG-CD2 4.41Å; P360-Y425 HydrophobicContact CG-CE1 3.39Å; P360-Y425 HydrophobicContact CG-CE2 4.46Å; P360-Y425 HydrophobicContact CG-CG 3.87Å; I362-Y425 HydrophobicContact CD1-CD1 3.87Å; I362-Y425 HydrophobicContact CD1-CG 4.37Å; I362-Y425 HydrophobicContact CG1-CD1 4.15Å; L404-Y425 CarbonylContact C-O 3.6Å; L404-Y425 WeakPolarHBondContact CA-O 3.19Å; L405-Y425 PolarHBondContact N-O 3.07Å; L405-Y425 PolarHBondContact O-N 2.97Å; R407-Y425 HydrophobicContact CB-CD2 4.14Å; R407-Y425 HydrophobicContact CB-CE2 3.99Å; V423-Y425 HydrophobicContact CB-CD2 4.45Å; V423-Y425 HydrophobicContact CB-CE2 3.85Å; V423-Y425 HydrophobicContact CG1-CD2 3.8Å; V423-Y425 HydrophobicContact CG1-CE2 3.21Å; Y425-V443 HydrophobicContact CE1-CG2 4.45Å; Y425-W515 HydrophobicContact CD1-CH2 4.27Å; Y425-W515 HydrophobicContact CD1-CZ3 4.16Å; Y425-W515 HydrophobicContact CD2-CH2 4.05Å; Y425-W515 HydrophobicContact CD2-CZ3 4.28Å; Y425-W515 HydrophobicContact CE1-CH2 4.31Å; Y425-W515 AromaticContact CE1-CZ3 3.77Å; Y425-W515 HydrophobicContact CE1-CZ3 3.77Å; Y425-W515 HydrophobicContact CE2-CH2 4.08Å; Y425-W515 AromaticContact CE2-CZ3 3.88Å; Y425-W515 HydrophobicContact CE2-CZ3 3.88Å; Y425-W515 HydrophobicContact CG-CH2 4.17Å; Y425-W515 HydrophobicContact CG-CZ3 4.42Å; Y425-W515 AromaticContact CZ-CZ3 3.63Å; Y425-L518 HydrophobicContact CE1-CD2 4.34Å; Y425-M522 HydrophobicContact CE1-CE 4.04Å; Y425-M522 HydrophobicContact CE1-SD 4.16Å
426R95.2Very high87.7Confident50 Ų5053.8 Ų53.819%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-106125.1175.4179.7-177.4-172.5-148.61.7109.5T359 P360 I361 I362 E402 L404 I428T359-R426 HydrophobicContact CG2-CB 4.37Å; P360-R426 PolarHBondContact O-N 3.43Å; I361-R426 CarbonylContact C-O 3.55Å; I361-R426 VanDerWaalsContact CA-O 3.25Å; I361-R426 WeakPolarHBondContact CA-O 3.46Å; I361-R426 HydrophobicContact CG1-CB 4.29Å; I362-R426 PolarHBondContact N-O 2.83Å; E402-R426 HydrophobicContact CG-CG 3.95Å; E402-R426 VanDerWaalsContact OE1-CD 3.22Å; E402-R426 WeakPolarHBondContact OE1-CD 3.42Å; E402-R426 VanDerWaalsContact OE1-CG 3.27Å; E402-R426 WeakPolarHBondContact OE1-CG 3.27Å; E402-R426 IonicContact OE1-CZ 2.78Å; E402-R426 IonicContact OE1-NE 3.18Å; E402-R426 PolarHBondContact OE1-NE 2.89Å; E402-R426 IonicContact OE1-NH2 3.76Å; E402-R426 IonicContact OE2-CZ 3.96Å; E402-R426 VanDerWaalsContact OE2-CZ 3.31Å; E402-R426 IonicContact OE2-NE 3.39Å; E402-R426 PolarHBondContact OE2-NE 2.85Å; E402-R426 IonicContact OE2-NH2 2.97Å; E402-R426 PolarHBondContact OE2-NH2 3.4Å; L404-R426 HydrophobicContact CD2-CB 4.19Å; L404-R426 HydrophobicContact CD2-CG 4.43Å; R426-I428 HydrophobicContact CG-CG2 4.2Å
427V96Very high88.5Confident0 Ų058.1 Ų58.10%033%0.326CS..EExtended strand (participates in β ladder)trans-108.4133175.8-175.60000109.3I362 I364 M374 A377 L381 V403 L405I362-V427 HydrophobicContact CB-CG2 4.29Å; I362-V427 WeakPolarHBondContact O-CA 3.38Å; I364-V427 HydrophobicContact CD1-CG1 4.06Å; I364-V427 HydrophobicContact CG1-CG1 4.09Å; I364-V427 HydrophobicContact CG2-CG1 3.85Å; M374-V427 WeakPolarHBondContact CE-O 3.3Å; M374-V427 HydrophobicContact SD-CG1 4.04Å; A377-V427 HydrophobicContact CB-CG1 4.17Å; L381-V427 HydrophobicContact CD1-CG2 4.28Å; V403-V427 HydrophobicContact CB-CB 4.2Å; V403-V427 PolarHBondContact N-O 3.24Å; V403-V427 PolarHBondContact O-N 2.71Å; L405-V427 HydrophobicContact CD1-CG2 3.46Å; L405-V427 VanDerWaalsContact CD1-CG2 3.46Å; L405-V427 HydrophobicContact CD2-CG2 4.36Å; L405-V427 HydrophobicContact CG-CG2 3.73Å
428I95.3Very high89.4Confident9 Ų956.6 Ų56.65%0.04631%0.311CS..EExtended strand (participates in β ladder)trans-136.3157.2176.866.9168.6000110.4I361 I362 I363 I364 R426 L434I361-I428 HydrophobicContact CG2-CD1 4.14Å; I361-I428 HydrophobicContact CG2-CG1 4.06Å; I362-I428 PolarHBondContact O-N 3.27Å; I362-I428 VanDerWaalsContact O-N 3.07Å; I363-I428 WeakPolarHBondContact CA-O 3.24Å; I363-I428 HydrophobicContact CG1-CD1 4.19Å; I363-I428 HydrophobicContact CG1-CG1 4.03Å; I364-I428 WeakPolarHBondContact CG1-O 3.2Å; I364-I428 PolarHBondContact N-O 3.34Å; R426-I428 HydrophobicContact CG-CG2 4.2Å; I428-L434 HydrophobicContact CD1-CD1 3.5Å; I428-L434 HydrophobicContact CD1-CD2 3.62Å; I428-L434 HydrophobicContact CD1-CG 3.46Å; I428-L434 VanDerWaalsContact CD1-CG 3.46Å
429D93.8Very high90.1Very high7 Ų752.5 Ų52.54%0.03728%0.283CS..SBendtrans-115.7-12.617363.6-4.9000113.8I364 A366 M374 R399 P431I364-D429 HydrophobicContact CD1-CB 4.5Å; I364-D429 HydrophobicContact CG1-CB 3.93Å; I364-D429 WeakPolarHBondContact O-CA 3.14Å; A366-D429 HydrophobicContact CB-CB 4.38Å; M374-D429 HydrophobicContact CG-CB 3.88Å; M374-D429 WeakPolarHBondContact CG-OD2 3.3Å; M374-D429 HydrophobicContact SD-CB 4.11Å; R399-D429 IonicContact CZ-OD2 2.65Å; R399-D429 IonicContact NE-OD2 2.86Å; R399-D429 IonicContact NH2-OD2 3.73Å; R399-D429 PolarHBondContact NH2-OD2 2.82Å; D429-P431 WeakPolarHBondContact O-CD 3.31Å
430Q91Very high90.7Very high71 Ų7152.2 Ų52.233%0.33228%0.282SS..  trans-109.483.7-179.4-73.8176.8-6.100111L432 K433Q430-L432 VanDerWaalsContact C-N 3.25Å; Q430-L432 PolarHBondContact O-N 3.33Å; Q430-K433 HydrophobicContact CB-CD 4.25Å; Q430-K433 HydrophobicContact CB-CG 4.42Å; Q430-K433 PolarHBondContact O-N 2.97Å
431P89.8Confident91.3Very high18 Ų1850.3 Ų50.312%0.11727%0.265CS..G310 helixtrans-63.5-28.9-176.925.7-35.8000113.2I363 D429 K433 L434 W439 W457I363-P431 HydrophobicContact CD1-CB 4.25Å; I363-P431 HydrophobicContact CG2-CB 4.37Å; D429-P431 WeakPolarHBondContact O-CD 3.31Å; P431-K433 PolarHBondContact O-N 3.47Å; P431-K433 VanDerWaalsContact O-N 3.17Å; P431-L434 VanDerWaalsContact O-CB 3.28Å; P431-L434 WeakPolarHBondContact O-CB 3.44Å; P431-L434 PolarHBondContact O-N 3.36Å; P431-W439 HydrophobicContact CB-CH2 3.76Å; P431-W439 HydrophobicContact CB-CZ2 4.1Å; P431-W457 HydrophobicContact CB-CZ2 3.75Å; P431-W457 HydrophobicContact CG-CZ2 3.66Å; P431-W457 VanDerWaalsContact CG-NE1 3.33Å
432L88.9Confident91.8Very high133 Ų13348.4 Ų48.470%0.69625%0.254SS*.G310 helixtrans-66.7-15.7-179.1-60.5176.2000113.8Q430 L434Q430-L432 VanDerWaalsContact C-N 3.25Å; Q430-L432 PolarHBondContact O-N 3.33Å; L432-L434 VanDerWaalsContact C-N 3.31Å
433K88Confident92.1Very high153 Ų15345.4 Ų45.467%0.66524%0.235SC*.G310 helixtrans-84-6.1174-70.2-176.8173.8172.10113.1Q430 P431Q430-K433 HydrophobicContact CB-CD 4.25Å; Q430-K433 HydrophobicContact CB-CG 4.42Å; Q430-K433 PolarHBondContact O-N 2.97Å; P431-K433 PolarHBondContact O-N 3.47Å; P431-K433 VanDerWaalsContact O-N 3.17Å
434L90Very high92.5Very high16 Ų1645.2 Ų45.28%0.08423%0.234CC..SBendtrans-75.1133.3178.1-72.4-178.9000111.3I361 I363 I428 P431 L432 D438 W439 V442I361-L434 HydrophobicContact CD1-CD2 4Å; I363-L434 HydrophobicContact CD1-CD1 4.26Å; I428-L434 HydrophobicContact CD1-CD1 3.5Å; I428-L434 HydrophobicContact CD1-CD2 3.62Å; I428-L434 HydrophobicContact CD1-CG 3.46Å; I428-L434 VanDerWaalsContact CD1-CG 3.46Å; P431-L434 VanDerWaalsContact O-CB 3.28Å; P431-L434 WeakPolarHBondContact O-CB 3.44Å; P431-L434 PolarHBondContact O-N 3.36Å; L432-L434 VanDerWaalsContact C-N 3.31Å; L434-D438 HydrophobicContact CB-CB 4.29Å; L434-D438 HydrophobicContact CD2-CB 3.88Å; L434-W439 HydrophobicContact CB-CZ2 4.48Å; L434-W439 HydrophobicContact CD1-CD2 4.33Å; L434-W439 HydrophobicContact CD1-CZ2 4.36Å; L434-V442 HydrophobicContact CD1-CG2 3.82Å
435A90.4Very high92.6Very high36 Ų3643.4 Ų43.430%0.29822%0.222SC..  trans-67.8153.7169.600000110.3Q437 D438A435-Q437 HydrophobicContact CB-CG 4.07Å; A435-Q437 PolarHBondContact O-N 3.44Å; A435-Q437 VanDerWaalsContact O-N 3.12Å; A435-D438 WeakPolarHBondContact O-CB 3.11Å; A435-D438 PolarHBondContact O-N 3.07Å
436P88.6Confident92.6Very high120 Ų12043.5 Ų43.578%0.77922%0.223SC*.G310 helixtrans-51.1-39.3178.4-30.236.6000114.1D438 W439P436-D438 VanDerWaalsContact C-N 3.28Å; P436-D438 PolarHBondContact O-N 3.47Å; P436-W439 PolarHBondContact O-N 3.13Å
437Q88.4Confident92.6Very high151 Ų15141.4 Ų41.471%0.70622%0.215SC*.G310 helixtrans-67.1-23.3177.267.2-172.45.700114.3A435 W439A435-Q437 HydrophobicContact CB-CG 4.07Å; A435-Q437 PolarHBondContact O-N 3.44Å; A435-Q437 VanDerWaalsContact O-N 3.12Å; Q437-W439 VanDerWaalsContact C-N 3.34Å
438D91.4Very high92.3Very high24 Ų2444.2 Ų44.213%0.12823%0.228CC..G310 helixtrans-79.7-21.8-178.1-67.7-25.2000112.2I361 L434 A435 P436 D440 R441 V442I361-D438 HydrophobicContact CD1-CB 4.07Å; L434-D438 HydrophobicContact CB-CB 4.29Å; L434-D438 HydrophobicContact CD2-CB 3.88Å; A435-D438 WeakPolarHBondContact O-CB 3.11Å; A435-D438 PolarHBondContact O-N 3.07Å; P436-D438 VanDerWaalsContact C-N 3.28Å; P436-D438 PolarHBondContact O-N 3.47Å; D438-D440 PolarHBondContact O-N 3.35Å; D438-R441 WeakPolarHBondContact O-CA 3.14Å; D438-R441 VanDerWaalsContact O-CB 3.32Å; D438-R441 WeakPolarHBondContact O-CB 3.44Å; D438-R441 PolarHBondContact O-N 2.98Å; D438-R441 IonicContact OD1-CZ 3.7Å; D438-R441 IonicContact OD1-NE 3.87Å; D438-R441 PolarHBondContact OD1-NE 2.68Å; D438-R441 VanDerWaalsContact OD1-NE 3.16Å; D438-R441 IonicContact OD1-NH2 2.73Å; D438-R441 PolarHBondContact OD1-NH2 3.37Å; D438-R441 IonicContact OD2-NH2 2.7Å; D438-V442 PolarHBondContact O-N 3.31Å
439W92.9Very high91.9Very high19 Ų1943.8 Ų43.87%0.07223%0.226CC..G310 helixtrans-63.3-28.1177.3-74.797.8000113I363 P431 L434 P436 Q437 R441 V442 W457 P458 W459 I473I363-W439 HydrophobicContact CD1-CH2 4.21Å; I363-W439 HydrophobicContact CD1-CZ3 3.85Å; P431-W439 HydrophobicContact CB-CH2 3.76Å; P431-W439 HydrophobicContact CB-CZ2 4.1Å; L434-W439 HydrophobicContact CB-CZ2 4.48Å; L434-W439 HydrophobicContact CD1-CD2 4.33Å; L434-W439 HydrophobicContact CD1-CZ2 4.36Å; P436-W439 PolarHBondContact O-N 3.13Å; Q437-W439 VanDerWaalsContact C-N 3.34Å; W439-R441 PolarHBondContact O-N 3.24Å; W439-V442 HydrophobicContact CE3-CG2 4.05Å; W439-V442 WeakPolarHBondContact O-CB 3.27Å; W439-V442 PolarHBondContact O-N 2.96Å; W439-W457 HydrophobicContact CH2-CB 4.21Å; W439-W457 AromaticContact CH2-CD2 3.59Å; W439-W457 HydrophobicContact CH2-CD2 3.59Å; W439-W457 AromaticContact CH2-CE3 3.74Å; W439-W457 HydrophobicContact CH2-CE3 3.74Å; W439-W457 AromaticContact CH2-CG 3.82Å; W439-W457 HydrophobicContact CH2-CG 3.82Å; W439-W457 HydrophobicContact CH2-CZ3 4.3Å; W439-W457 AromaticContact CZ3-CD2 3.94Å; W439-W457 HydrophobicContact CZ3-CD2 3.94Å; W439-W457 AromaticContact CZ3-CE3 3.56Å; W439-W457 HydrophobicContact CZ3-CE3 3.56Å; W439-W457 HydrophobicContact CZ3-CG 4.43Å; W439-W457 AromaticContact CZ3-CZ3 3.94Å; W439-W457 HydrophobicContact CZ3-CZ3 3.94Å; W439-P458 HydrophobicContact CB-CG 4.29Å; W439-P458 HydrophobicContact CD2-CG 3.38Å; W439-P458 VanDerWaalsContact CE2-CD 3.46Å; W439-P458 HydrophobicContact CE3-CG 3.54Å; W439-P458 HydrophobicContact CG-CG 3.73Å; W439-P458 HydrophobicContact CH2-CG 4.3Å; W439-P458 VanDerWaalsContact CZ2-CD 3.43Å; W439-P458 HydrophobicContact CZ2-CG 4.19Å; W439-P458 HydrophobicContact CZ3-CG 4.01Å; W439-W459 HydrophobicContact CB-CH2 3.94Å; W439-W459 HydrophobicContact CE3-CZ3 4.41Å; W439-I473 HydrophobicContact CE3-CD1 4.41Å; W439-I473 HydrophobicContact CZ3-CD1 4.45Å
440D91.8Very high91.7Very high80 Ų8045.2 Ų45.243%0.42824%0.236SC..G310 helixtrans-68-21172.5-168.735.3000112.4D438 K526 H528D438-D440 PolarHBondContact O-N 3.35Å; D440-K526 WeakPolarHBondContact O-CE 3.39Å; D440-K526 PolarHBondContact O-NZ 2.77Å; D440-K526 IonicContact OD1-NZ 3.41Å; D440-K526 PolarHBondContact OD1-NZ 3.34Å; D440-H528 IonicContact OD1-CE1 3.67Å; D440-H528 IonicContact OD2-CE1 3.47Å; D440-H528 PolarHBondContact OD2-CE1 3.01Å; D440-H528 IonicContact OD2-NE2 3.3Å; D440-H528 PolarHBondContact OD2-NE2 3.47Å
441R93.8Very high91.6Very high25 Ų2543.8 Ų43.89%0.09424%0.236CC..G310 helixtrans-89.8-8.3178.7-46.5-170.9-71126.7-14112.9S357 T359 P360 I361 D438 W439 V443 L529S357-R441 WeakPolarHBondContact O-CD 3.43Å; S357-R441 PolarHBondContact OG-NH1 2.76Å; T359-R441 PolarHBondContact O-NH1 3.41Å; P360-R441 CarbonylContact C-O 3.54Å; P360-R441 WeakPolarHBondContact CA-O 3.39Å; I361-R441 HydrophobicContact CD1-CB 4.09Å; I361-R441 HydrophobicContact CG1-CB 4.06Å; I361-R441 PolarHBondContact N-O 3.07Å; D438-R441 WeakPolarHBondContact O-CA 3.14Å; D438-R441 VanDerWaalsContact O-CB 3.32Å; D438-R441 WeakPolarHBondContact O-CB 3.44Å; D438-R441 PolarHBondContact O-N 2.98Å; D438-R441 IonicContact OD1-CZ 3.7Å; D438-R441 IonicContact OD1-NE 3.87Å; D438-R441 PolarHBondContact OD1-NE 2.68Å; D438-R441 VanDerWaalsContact OD1-NE 3.16Å; D438-R441 IonicContact OD1-NH2 2.73Å; D438-R441 PolarHBondContact OD1-NH2 3.37Å; D438-R441 IonicContact OD2-NH2 2.7Å; W439-R441 PolarHBondContact O-N 3.24Å; R441-V443 PolarHBondContact O-N 3.26Å; R441-L529 HydrophobicContact CB-CD2 4.15Å; R441-L529 HydrophobicContact CG-CD2 4.05Å
442V95.4Very high91.5Very high0 Ų051.4 Ų51.40%026%0.263CS..EExtended strand (participates in β ladder)trans-73.3121.6176.9-178.50000108.5I361 I363 L434 D438 W439 I473I361-V442 HydrophobicContact CB-CG2 4.16Å; I361-V442 HydrophobicContact CG2-CG2 4.31Å; I361-V442 WeakPolarHBondContact O-CA 3.5Å; I363-V442 HydrophobicContact CD1-CB 4.46Å; I363-V442 HydrophobicContact CD1-CG1 3.57Å; I363-V442 HydrophobicContact CD1-CG2 3.99Å; I363-V442 HydrophobicContact CG1-CG1 3.96Å; L434-V442 HydrophobicContact CD1-CG2 3.82Å; D438-V442 PolarHBondContact O-N 3.31Å; W439-V442 HydrophobicContact CE3-CG2 4.05Å; W439-V442 WeakPolarHBondContact O-CB 3.27Å; W439-V442 PolarHBondContact O-N 2.96Å; V442-I473 HydrophobicContact CB-CD1 4.06Å; V442-I473 HydrophobicContact CB-CG1 4.33Å; V442-I473 HydrophobicContact CG1-CD1 3.59Å; V442-I473 HydrophobicContact CG1-CG1 3.98Å; V442-I473 HydrophobicContact CG1-CG2 3.85Å
443V95.8Very high91.6Very high0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-115-28.3-175.2-60.70000113.2P360 I361 I362 Y425 R441 R474 L518 M522 K526 L529P360-V443 HydrophobicContact CB-CG1 3.92Å; P360-V443 HydrophobicContact CB-CG2 3.82Å; I361-V443 PolarHBondContact O-N 3.35Å; I362-V443 HydrophobicContact CG1-CG2 4.42Å; Y425-V443 HydrophobicContact CE1-CG2 4.45Å; R441-V443 PolarHBondContact O-N 3.26Å; V443-R474 PolarHBondContact O-N 3.28Å; V443-R474 VanDerWaalsContact O-N 3.11Å; V443-L518 HydrophobicContact CB-CD1 4.09Å; V443-L518 HydrophobicContact CG2-CD1 4.03Å; V443-L518 HydrophobicContact CG2-CD2 4.3Å; V443-M522 HydrophobicContact CB-CE 4.24Å; V443-M522 HydrophobicContact CB-CG 4.09Å; V443-M522 HydrophobicContact CB-SD 4.15Å; V443-M522 HydrophobicContact CG1-CE 3.81Å; V443-M522 HydrophobicContact CG1-CG 4.16Å; V443-M522 HydrophobicContact CG1-SD 4.31Å; V443-M522 HydrophobicContact CG2-CE 4.14Å; V443-M522 HydrophobicContact CG2-SD 4.05Å; V443-K526 HydrophobicContact CG1-CB 4.45Å; V443-K526 HydrophobicContact CG1-CG 4.09Å; V443-L529 HydrophobicContact CG1-CD1 3.38Å
444A96.7Very high91.8Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-140.4146.7179.700000112.1I362 I363 R474 F476 L518I362-A444 WeakPolarHBondContact CA-O 3.28Å; I362-A444 HydrophobicContact CG1-CB 4.27Å; I362-A444 HydrophobicContact CG2-CB 4.19Å; I363-A444 PolarHBondContact N-O 2.89Å; A444-R474 CarbonylContact C-O 3.54Å; A444-R474 WeakPolarHBondContact CA-O 3.37Å; A444-F476 HydrophobicContact CB-CD2 4.1Å; A444-F476 HydrophobicContact CB-CE2 3.85Å; A444-L518 HydrophobicContact CB-CD1 3.93Å; A444-L518 HydrophobicContact CB-CD2 4.18Å
445V96.3Very high91.9Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-130.9134.4171.658.10000110.8I363 V447 F454 W457 F470 I473 R474 A475 F476I363-V445 HydrophobicContact CB-CG2 4.38Å; I363-V445 CarbonylContact O-C 3.28Å; I363-V445 WeakPolarHBondContact O-CA 3.5Å; V445-V447 HydrophobicContact CG1-CG2 4.31Å; V445-V447 HydrophobicContact CG2-CG2 4.48Å; V445-F454 HydrophobicContact CG2-CE1 4.28Å; V445-W457 HydrophobicContact CB-CH2 4.2Å; V445-W457 HydrophobicContact CB-CZ3 4.29Å; V445-W457 HydrophobicContact CG2-CH2 3.43Å; V445-W457 VanDerWaalsContact CG2-CH2 3.43Å; V445-W457 HydrophobicContact CG2-CZ2 4.46Å; V445-W457 HydrophobicContact CG2-CZ3 3.89Å; V445-F470 HydrophobicContact CG1-CD1 4.45Å; V445-F470 HydrophobicContact CG1-CE1 4.21Å; V445-I473 HydrophobicContact CB-CG2 4.15Å; V445-I473 HydrophobicContact CG1-CG2 3.88Å; V445-R474 PolarHBondContact N-O 3.44Å; V445-A475 HydrophobicContact CG1-CB 3.86Å; V445-A475 CarbonylContact O-C 3.32Å; V445-A475 WeakPolarHBondContact O-CA 3.49Å; V445-F476 PolarHBondContact O-N 3.44Å
446F96Very high91.8Very high2 Ų247.1 Ų47.11%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-90.2122.7167.6-74.4-96000110.6I362 I363 I364 P365 I372 L381 Q453 F476 L478 L497 F514I362-F446 HydrophobicContact CG2-CD2 4.1Å; I362-F446 HydrophobicContact CG2-CE2 3.9Å; I363-F446 PolarHBondContact O-N 3.46Å; I364-F446 HydrophobicContact CG2-CD2 3.79Å; I364-F446 HydrophobicContact CG2-CE2 4.4Å; I364-F446 HydrophobicContact CG2-CG 4.41Å; P365-F446 WeakPolarHBondContact CD-O 3.23Å; I372-F446 HydrophobicContact CD1-CD1 4.36Å; I372-F446 HydrophobicContact CD1-CD2 4.08Å; I372-F446 HydrophobicContact CD1-CE1 4.08Å; I372-F446 HydrophobicContact CD1-CE2 3.78Å; I372-F446 HydrophobicContact CD1-CG 4.35Å; I372-F446 HydrophobicContact CD1-CZ 3.79Å; I372-F446 HydrophobicContact CG2-CB 4.05Å; I372-F446 HydrophobicContact CG2-CD1 3.82Å; I372-F446 HydrophobicContact CG2-CE1 4.41Å; I372-F446 HydrophobicContact CG2-CG 3.89Å; L381-F446 HydrophobicContact CD2-CE2 4.42Å; L381-F446 HydrophobicContact CD2-CZ 4.06Å; F446-Q453 PolarHBondContact O-NE2 3.25Å; F446-F476 CarbonylContact C-O 3.47Å; F446-F476 VanDerWaalsContact CA-O 3.28Å; F446-F476 WeakPolarHBondContact CA-O 3.35Å; F446-F476 HydrophobicContact CD1-CB 4.13Å; F446-F476 HydrophobicContact CE1-CB 4.1Å; F446-L478 HydrophobicContact CD1-CB 4.28Å; F446-L478 HydrophobicContact CE1-CB 4.4Å; F446-L497 HydrophobicContact CE1-CD1 4.26Å; F446-F514 AromaticContact CE2-CE2 3.95Å; F446-F514 HydrophobicContact CE2-CE2 3.95Å; F446-F514 HydrophobicContact CE2-CZ 4.17Å; F446-F514 HydrophobicContact CZ-CD2 4.13Å; F446-F514 AromaticContact CZ-CE2 3.63Å; F446-F514 HydrophobicContact CZ-CE2 3.63Å; F446-F514 HydrophobicContact CZ-CZ 4.09Å
447V94.1Very high92Very high5 Ų542.2 Ų42.23%0.0321%0.214CC..  trans-101.7133.8-174.6-1760000109.6V445 F454 F470 A475 F476 H477 V489 W492 V494V445-V447 HydrophobicContact CG1-CG2 4.31Å; V445-V447 HydrophobicContact CG2-CG2 4.48Å; V447-F454 HydrophobicContact CB-CZ 4.33Å; V447-F454 HydrophobicContact CG1-CE2 4.23Å; V447-F454 HydrophobicContact CG1-CZ 3.75Å; V447-F454 HydrophobicContact CG2-CE1 4.38Å; V447-F454 HydrophobicContact CG2-CZ 3.81Å; V447-F470 HydrophobicContact CG2-CE1 4Å; V447-F470 HydrophobicContact CG2-CZ 4.08Å; V447-A475 HydrophobicContact CG2-CB 3.88Å; V447-F476 PolarHBondContact N-O 2.87Å; V447-H477 PolarHBondContact O-ND1 3.35Å; V447-V489 HydrophobicContact CG1-CG2 4.4Å; V447-W492 HydrophobicContact CG1-CE3 4.13Å; V447-W492 HydrophobicContact CG1-CZ3 3.83Å; V447-V494 HydrophobicContact CG2-CG1 4.48Å; V447-V494 HydrophobicContact CG2-CG2 4.48Å
448Q89.6Confident92.1Very high59 Ų5936.9 Ų36.928%0.27619%0.192SC..  trans-91.1-31.8176.5-170.3176.23.200112.1P365P365-Q448 HydrophobicContact CB-CB 4.5Å
449G87.3Confident92.1Very high0 Ų040 Ų400%020%0.202CC..SBendtrans133.9-45174.100000114.9N488 W492G449-N488 WeakPolarHBondContact O-CB 3.22Å; G449-W492 WeakPolarHBondContact O-CH2 3.34Å; G449-W492 WeakPolarHBondContact O-CZ3 3.36Å
450P89.7Confident91.9Very high38 Ų3841.6 Ų41.625%0.24721%0.212CC..  trans-69.8136178.6-22.434.1000113.4W452 Q453P450-W452 HydrophobicContact CB-CD2 4.32Å; P450-W452 HydrophobicContact CB-CG 4.13Å; P450-W452 HydrophobicContact CB-CZ2 4.34Å; P450-W452 HydrophobicContact CG-CZ2 4.37Å; P450-W452 PolarHBondContact O-N 3.36Å; P450-Q453 VanDerWaalsContact O-CB 3.24Å; P450-Q453 WeakPolarHBondContact O-CB 3.24Å; P450-Q453 PolarHBondContact O-N 3.5Å; P450-Q453 VanDerWaalsContact O-N 3.12Å
451A88.1Confident91.7Very high40 Ų4040.3 Ų40.333%0.33121%0.205SC..G310 helixtrans-61.7-28.8-178.600000113.6Q453 F454 W492A451-Q453 PolarHBondContact O-N 3.43Å; A451-F454 PolarHBondContact O-N 3.24Å; A451-F454 VanDerWaalsContact O-N 3.1Å; A451-W492 HydrophobicContact CB-CH2 4.16Å; A451-W492 HydrophobicContact CB-CZ2 4.06Å
452W89.2Confident91.3Very high178 Ų17845.8 Ų45.867%0.67424%0.244SC*.G310 helixtrans-60.8-18.5177.865.4-107000113.2P450 F454 K455P450-W452 HydrophobicContact CB-CD2 4.32Å; P450-W452 HydrophobicContact CB-CG 4.13Å; P450-W452 HydrophobicContact CB-CZ2 4.34Å; P450-W452 HydrophobicContact CG-CZ2 4.37Å; P450-W452 PolarHBondContact O-N 3.36Å; W452-F454 PolarHBondContact O-N 2.91Å; W452-F454 VanDerWaalsContact O-N 3.16Å; W452-K455 VanDerWaalsContact O-CB 3.27Å; W452-K455 WeakPolarHBondContact O-CB 3.3Å; W452-K455 PolarHBondContact O-N 2.85Å; W452-K455 VanDerWaalsContact O-N 3.09Å
453Q90.9Very high90.7Very high26 Ų2651.7 Ų51.712%0.12128%0.275CS..G310 helixtrans-53.5-33.6173.7-179.6-179.2-5.500112.2F446 P450 A451 W457F446-Q453 PolarHBondContact O-NE2 3.25Å; P450-Q453 VanDerWaalsContact O-CB 3.24Å; P450-Q453 WeakPolarHBondContact O-CB 3.24Å; P450-Q453 PolarHBondContact O-N 3.5Å; P450-Q453 VanDerWaalsContact O-N 3.12Å; A451-Q453 PolarHBondContact O-N 3.43Å; Q453-W457 PolarHBondContact O-NE1 3.28Å
454F92.3Very high90Very high0 Ų053 Ų530%029%0.289CS..G310 helixtrans-93.65.8-175.6-52.2-69.5000113.5V445 V447 A451 W452 G456 W457 L460 P466 I469 F470 W492V445-F454 HydrophobicContact CG2-CE1 4.28Å; V447-F454 HydrophobicContact CB-CZ 4.33Å; V447-F454 HydrophobicContact CG1-CE2 4.23Å; V447-F454 HydrophobicContact CG1-CZ 3.75Å; V447-F454 HydrophobicContact CG2-CE1 4.38Å; V447-F454 HydrophobicContact CG2-CZ 3.81Å; A451-F454 PolarHBondContact O-N 3.24Å; A451-F454 VanDerWaalsContact O-N 3.1Å; W452-F454 PolarHBondContact O-N 2.91Å; W452-F454 VanDerWaalsContact O-N 3.16Å; F454-G456 PolarHBondContact O-N 2.87Å; F454-W457 HydrophobicContact CB-CG 4.39Å; F454-W457 HydrophobicContact CD1-CD2 4.11Å; F454-W457 HydrophobicContact CD1-CE3 4.03Å; F454-W457 HydrophobicContact CD1-CH2 4.42Å; F454-W457 HydrophobicContact CD1-CZ2 4.44Å; F454-W457 HydrophobicContact CD1-CZ3 4.2Å; F454-W457 HydrophobicContact CE1-CZ3 4.47Å; F454-W457 VanDerWaalsContact O-CB 3.25Å; F454-W457 WeakPolarHBondContact O-CB 3.39Å; F454-W457 VanDerWaalsContact O-CD1 3.3Å; F454-W457 PolarHBondContact O-N 3.14Å; F454-L460 HydrophobicContact CB-CD1 3.89Å; F454-P466 HydrophobicContact CB-CB 4.49Å; F454-P466 HydrophobicContact CD2-CB 3.59Å; F454-P466 HydrophobicContact CD2-CG 3.92Å; F454-P466 HydrophobicContact CE2-CB 3.91Å; F454-P466 HydrophobicContact CE2-CG 3.96Å; F454-P466 HydrophobicContact CG-CB 3.98Å; F454-I469 HydrophobicContact CB-CD1 3.85Å; F454-I469 HydrophobicContact CD1-CD1 4.26Å; F454-I469 HydrophobicContact CG-CD1 4.21Å; F454-F470 AromaticContact CE1-CE1 3.92Å; F454-F470 HydrophobicContact CE1-CE1 3.92Å; F454-F470 HydrophobicContact CE1-CZ 4.11Å; F454-F470 HydrophobicContact CE2-CE1 4.43Å; F454-F470 AromaticContact CE2-CZ 3.79Å; F454-F470 HydrophobicContact CE2-CZ 3.79Å; F454-F470 AromaticContact CZ-CE1 3.71Å; F454-F470 HydrophobicContact CZ-CE1 3.71Å; F454-F470 AromaticContact CZ-CZ 3.44Å; F454-F470 HydrophobicContact CZ-CZ 3.44Å; F454-F470 VanDerWaalsContact CZ-CZ 3.44Å; F454-W492 HydrophobicContact CE2-CH2 4.01Å; F454-W492 AromaticContact CE2-CZ3 3.87Å; F454-W492 HydrophobicContact CE2-CZ3 3.87Å
455K90.5Very high89.6Confident166 Ų16654.4 Ų54.472%0.72230%0.299SS*.THydrogen-bonded Turntrans-59.2125.7179.6-172.8177-179.11780110.6W452 W457W452-K455 VanDerWaalsContact O-CB 3.27Å; W452-K455 WeakPolarHBondContact O-CB 3.3Å; W452-K455 PolarHBondContact O-N 2.85Å; W452-K455 VanDerWaalsContact O-N 3.09Å; K455-W457 VanDerWaalsContact C-N 3.34Å
456G88.3Confident89.4Confident57 Ų5754.5 Ų54.559%0.58830%0.299SS*.THydrogen-bonded Turntrans82.26.8-179.200000114.9F454F454-G456 PolarHBondContact O-N 2.87Å
457W93.4Very high89.2Confident16 Ų1658.2 Ų58.26%0.06132%0.322CS..  trans-79.1151171.9-71.440.9000110.6I363 P431 W439 V445 Q453 F454 K455 I469I363-W457 HydrophobicContact CB-CH2 4.04Å; I363-W457 HydrophobicContact CD1-CH2 3.55Å; I363-W457 HydrophobicContact CD1-CZ2 4.22Å; I363-W457 HydrophobicContact CD1-CZ3 3.86Å; I363-W457 HydrophobicContact CG1-CH2 4.4Å; I363-W457 HydrophobicContact CG2-CH2 3.67Å; I363-W457 HydrophobicContact CG2-CZ2 3.84Å; P431-W457 HydrophobicContact CB-CZ2 3.75Å; P431-W457 HydrophobicContact CG-CZ2 3.66Å; P431-W457 VanDerWaalsContact CG-NE1 3.33Å; W439-W457 HydrophobicContact CH2-CB 4.21Å; W439-W457 AromaticContact CH2-CD2 3.59Å; W439-W457 HydrophobicContact CH2-CD2 3.59Å; W439-W457 AromaticContact CH2-CE3 3.74Å; W439-W457 HydrophobicContact CH2-CE3 3.74Å; W439-W457 AromaticContact CH2-CG 3.82Å; W439-W457 HydrophobicContact CH2-CG 3.82Å; W439-W457 HydrophobicContact CH2-CZ3 4.3Å; W439-W457 AromaticContact CZ3-CD2 3.94Å; W439-W457 HydrophobicContact CZ3-CD2 3.94Å; W439-W457 AromaticContact CZ3-CE3 3.56Å; W439-W457 HydrophobicContact CZ3-CE3 3.56Å; W439-W457 HydrophobicContact CZ3-CG 4.43Å; W439-W457 AromaticContact CZ3-CZ3 3.94Å; W439-W457 HydrophobicContact CZ3-CZ3 3.94Å; V445-W457 HydrophobicContact CB-CH2 4.2Å; V445-W457 HydrophobicContact CB-CZ3 4.29Å; V445-W457 HydrophobicContact CG2-CH2 3.43Å; V445-W457 VanDerWaalsContact CG2-CH2 3.43Å; V445-W457 HydrophobicContact CG2-CZ2 4.46Å; V445-W457 HydrophobicContact CG2-CZ3 3.89Å; Q453-W457 PolarHBondContact O-NE1 3.28Å; F454-W457 HydrophobicContact CB-CG 4.39Å; F454-W457 HydrophobicContact CD1-CD2 4.11Å; F454-W457 HydrophobicContact CD1-CE3 4.03Å; F454-W457 HydrophobicContact CD1-CH2 4.42Å; F454-W457 HydrophobicContact CD1-CZ2 4.44Å; F454-W457 HydrophobicContact CD1-CZ3 4.2Å; F454-W457 HydrophobicContact CE1-CZ3 4.47Å; F454-W457 VanDerWaalsContact O-CB 3.25Å; F454-W457 WeakPolarHBondContact O-CB 3.39Å; F454-W457 VanDerWaalsContact O-CD1 3.3Å; F454-W457 PolarHBondContact O-N 3.14Å; K455-W457 VanDerWaalsContact C-N 3.34Å; W457-I469 HydrophobicContact CB-CD1 3.96Å; W457-I469 HydrophobicContact CE3-CD1 4.39Å; W457-I469 HydrophobicContact CE3-CG2 3.95Å; W457-I469 HydrophobicContact CZ3-CG2 4.25Å
458P89.9Confident89.1Confident39 Ų3961.4 Ų61.425%0.25334%0.339SS..THydrogen-bonded Turntrans-63.9152.1168.830.2-34.8000110.1W439 L460W439-P458 HydrophobicContact CB-CG 4.29Å; W439-P458 HydrophobicContact CD2-CG 3.38Å; W439-P458 VanDerWaalsContact CE2-CD 3.46Å; W439-P458 HydrophobicContact CE3-CG 3.54Å; W439-P458 HydrophobicContact CG-CG 3.73Å; W439-P458 HydrophobicContact CH2-CG 4.3Å; W439-P458 VanDerWaalsContact CZ2-CD 3.43Å; W439-P458 HydrophobicContact CZ2-CG 4.19Å; W439-P458 HydrophobicContact CZ3-CG 4.01Å; P458-L460 PolarHBondContact O-N 3.13Å
459W91.4Very high89.3Confident90 Ų9058.6 Ų58.634%0.34133%0.325SS..THydrogen-bonded Turntrans63.614.2178.4-35.8-61.8000114.9W439 L461 D468 I469 K472 I473W439-W459 HydrophobicContact CB-CH2 3.94Å; W439-W459 HydrophobicContact CE3-CZ3 4.41Å; W459-L461 PolarHBondContact O-N 3.34Å; W459-D468 HydrophobicContact CB-CB 4.07Å; W459-D468 WeakPolarHBondContact O-CB 3.48Å; W459-I469 HydrophobicContact CB-CG1 4.31Å; W459-K472 HydrophobicContact CB-CD 4.46Å; W459-K472 HydrophobicContact CD2-CD 3.34Å; W459-K472 VanDerWaalsContact CE2-CD 3.46Å; W459-K472 HydrophobicContact CE3-CB 4.3Å; W459-K472 HydrophobicContact CE3-CD 3.69Å; W459-K472 HydrophobicContact CG-CD 3.69Å; W459-K472 HydrophobicContact CH2-CD 4.18Å; W459-K472 HydrophobicContact CZ2-CD 3.9Å; W459-K472 HydrophobicContact CZ3-CB 4.26Å; W459-K472 HydrophobicContact CZ3-CD 4.09Å; W459-I473 HydrophobicContact CZ3-CD1 3.97Å; W459-I473 HydrophobicContact CZ3-CG1 4.43Å
460L90.5Very high89.6Confident52 Ų5258.9 Ų58.927%0.27233%0.327SS..  trans-69.8126.9164.7-171.370000108.7F454 P458 P466 I469F454-L460 HydrophobicContact CB-CD1 3.89Å; P458-L460 PolarHBondContact O-N 3.13Å; L460-P466 HydrophobicContact CD1-CB 4.49Å; L460-I469 HydrophobicContact CB-CD1 4.23Å; L460-I469 HydrophobicContact CD1-CD1 4.02Å
461L87.6Confident89.7Confident53 Ų5360.2 Ų60.228%0.27734%0.341SS..  trans-69.8153.9177.8-71.3164.6000111W459 D463 G464 S465 V467W459-L461 PolarHBondContact O-N 3.34Å; L461-D463 WeakPolarHBondContact CB-OD1 3.04Å; L461-D463 PolarHBondContact O-N 3.29Å; L461-D463 VanDerWaalsContact O-N 3.17Å; L461-G464 WeakPolarHBondContact O-CA 3.49Å; L461-G464 PolarHBondContact O-N 3.22Å; L461-S465 WeakPolarHBondContact CB-O 3.31Å; L461-S465 PolarHBondContact N-O 3.04Å; L461-V467 HydrophobicContact CD1-CB 4.42Å
462P83.8Confident89.9Confident141 Ų14162.8 Ų62.892%0.91635%0.345SS*.THydrogen-bonded Turntrans-60.9-23.2-179.7-24.534.7000114.6G464P462-G464 PolarHBondContact O-N 3.4Å
463D83.1Confident90.2Very high124 Ų12454.4 Ų54.466%0.66331%0.313SS*.THydrogen-bonded Turntrans-77.6-4173.866.7-9.4000113.2L461 S465L461-D463 WeakPolarHBondContact CB-OD1 3.04Å; L461-D463 PolarHBondContact O-N 3.29Å; L461-D463 VanDerWaalsContact O-N 3.17Å; D463-S465 WeakPolarHBondContact OD1-CB 3.19Å; D463-S465 PolarHBondContact OD1-N 3.45Å; D463-S465 WeakPolarHBondContact OD2-CB 3.49Å
464G82.3Confident90.4Very high28 Ų2855.5 Ų55.529%0.28932%0.316SS..SBendtrans83.49.2-176.400000114.4L461 P462L461-G464 WeakPolarHBondContact O-CA 3.49Å; L461-G464 PolarHBondContact O-N 3.22Å; P462-G464 PolarHBondContact O-N 3.4Å
465S88.3Confident90.6Very high29 Ų2955.5 Ų55.520%0.20332%0.316CS..  trans-82.1128.7-178.4-172.10000112.3L461 D463 V467L461-S465 WeakPolarHBondContact CB-O 3.31Å; L461-S465 PolarHBondContact N-O 3.04Å; D463-S465 WeakPolarHBondContact OD1-CB 3.19Å; D463-S465 PolarHBondContact OD1-N 3.45Å; D463-S465 WeakPolarHBondContact OD2-CB 3.49Å; S465-V467 VanDerWaalsContact C-N 3.29Å; S465-V467 PolarHBondContact O-N 3.08Å; S465-V467 WeakPolarHBondContact OG-CG2 3.39Å
466P91.6Very high90.9Very high1 Ų147.6 Ų47.61%0.00628%0.282CS..  trans-86.617.1-178.235.3-37.5000114.5F454 L460 D468 I469 F470 W492F454-P466 HydrophobicContact CB-CB 4.49Å; F454-P466 HydrophobicContact CD2-CB 3.59Å; F454-P466 HydrophobicContact CD2-CG 3.92Å; F454-P466 HydrophobicContact CE2-CB 3.91Å; F454-P466 HydrophobicContact CE2-CG 3.96Å; F454-P466 HydrophobicContact CG-CB 3.98Å; L460-P466 HydrophobicContact CD1-CB 4.49Å; P466-D468 PolarHBondContact O-N 3.03Å; P466-I469 HydrophobicContact CB-CB 4.5Å; P466-I469 HydrophobicContact CB-CD1 4.12Å; P466-I469 VanDerWaalsContact O-CB 3.31Å; P466-I469 WeakPolarHBondContact O-CB 3.49Å; P466-I469 PolarHBondContact O-N 3.36Å; P466-I469 VanDerWaalsContact O-N 3.12Å; P466-F470 HydrophobicContact CB-CD2 4.34Å; P466-F470 HydrophobicContact CB-CE1 4.37Å; P466-F470 HydrophobicContact CB-CE2 3.75Å; P466-F470 HydrophobicContact CB-CZ 3.78Å; P466-F470 HydrophobicContact CG-CD2 4.26Å; P466-F470 HydrophobicContact CG-CE2 3.45Å; P466-F470 VanDerWaalsContact CG-CE2 3.45Å; P466-F470 HydrophobicContact CG-CZ 3.79Å; P466-F470 WeakPolarHBondContact O-CD2 3.27Å; P466-F470 WeakPolarHBondContact O-CG 3.24Å; P466-F470 PolarHBondContact O-N 2.86Å; P466-F470 VanDerWaalsContact O-N 3.11Å; P466-W492 HydrophobicContact CG-CD2 3.88Å; P466-W492 VanDerWaalsContact CG-CE2 3.46Å; P466-W492 HydrophobicContact CG-CE3 4.39Å; P466-W492 HydrophobicContact CG-CG 4.35Å; P466-W492 HydrophobicContact CG-CH2 4.16Å; P466-W492 HydrophobicContact CG-CZ2 3.63Å
467V91.6Very high91.2Very high80 Ų8045.7 Ų45.749%0.48526%0.257SS..Hα-helixtrans-58.2-46.4-174.1172.80000112.4L461 S465 I469 F470 A471L461-V467 HydrophobicContact CD1-CB 4.42Å; S465-V467 VanDerWaalsContact C-N 3.29Å; S465-V467 PolarHBondContact O-N 3.08Å; S465-V467 WeakPolarHBondContact OG-CG2 3.39Å; V467-I469 VanDerWaalsContact C-N 3.27Å; V467-I469 PolarHBondContact O-N 3.25Å; V467-F470 PolarHBondContact O-N 3.3Å; V467-F470 VanDerWaalsContact O-N 3.14Å; V467-A471 PolarHBondContact O-N 3.44Å
468D91.9Very high91.3Very high72 Ų7245.6 Ų45.639%0.38526%0.258SS..Hα-helixtrans-68-27.8179.4-78.74.3000112.8W459 P466 K472W459-D468 HydrophobicContact CB-CB 4.07Å; W459-D468 WeakPolarHBondContact O-CB 3.48Å; P466-D468 PolarHBondContact O-N 3.03Å; D468-K472 PolarHBondContact O-N 3.17Å
469I93.3Very high91.5Very high0 Ų044.7 Ų44.70%025%0.25CS..Hα-helixtrans-64.8-46.5172.6-55.6179.5000109F454 W457 W459 L460 P466 V467 A471 K472 I473F454-I469 HydrophobicContact CB-CD1 3.85Å; F454-I469 HydrophobicContact CD1-CD1 4.26Å; F454-I469 HydrophobicContact CG-CD1 4.21Å; W457-I469 HydrophobicContact CB-CD1 3.96Å; W457-I469 HydrophobicContact CE3-CD1 4.39Å; W457-I469 HydrophobicContact CE3-CG2 3.95Å; W457-I469 HydrophobicContact CZ3-CG2 4.25Å; W459-I469 HydrophobicContact CB-CG1 4.31Å; L460-I469 HydrophobicContact CB-CD1 4.23Å; L460-I469 HydrophobicContact CD1-CD1 4.02Å; P466-I469 HydrophobicContact CB-CB 4.5Å; P466-I469 HydrophobicContact CB-CD1 4.12Å; P466-I469 VanDerWaalsContact O-CB 3.31Å; P466-I469 WeakPolarHBondContact O-CB 3.49Å; P466-I469 PolarHBondContact O-N 3.36Å; P466-I469 VanDerWaalsContact O-N 3.12Å; V467-I469 VanDerWaalsContact C-N 3.27Å; V467-I469 PolarHBondContact O-N 3.25Å; I469-A471 VanDerWaalsContact C-N 3.33Å; I469-A471 PolarHBondContact O-N 2.98Å; I469-K472 CarbonylContact O-C 3.49Å; I469-K472 PolarHBondContact O-N 3.19Å; I469-K472 VanDerWaalsContact O-N 3.12Å; I469-I473 HydrophobicContact CG2-CD1 4.08Å; I469-I473 PolarHBondContact O-N 3.29Å
470F93.9Very high91.6Very high7 Ų742.1 Ų42.13%0.03124%0.241CC..Hα-helixtrans-73.2-22.9-178.1-57.5-30.8000113.9V445 V447 F454 P466 V467 K472 I473 A475 W492 V494V445-F470 HydrophobicContact CG1-CD1 4.45Å; V445-F470 HydrophobicContact CG1-CE1 4.21Å; V447-F470 HydrophobicContact CG2-CE1 4Å; V447-F470 HydrophobicContact CG2-CZ 4.08Å; F454-F470 AromaticContact CE1-CE1 3.92Å; F454-F470 HydrophobicContact CE1-CE1 3.92Å; F454-F470 HydrophobicContact CE1-CZ 4.11Å; F454-F470 HydrophobicContact CE2-CE1 4.43Å; F454-F470 AromaticContact CE2-CZ 3.79Å; F454-F470 HydrophobicContact CE2-CZ 3.79Å; F454-F470 AromaticContact CZ-CE1 3.71Å; F454-F470 HydrophobicContact CZ-CE1 3.71Å; F454-F470 AromaticContact CZ-CZ 3.44Å; F454-F470 HydrophobicContact CZ-CZ 3.44Å; F454-F470 VanDerWaalsContact CZ-CZ 3.44Å; P466-F470 HydrophobicContact CB-CD2 4.34Å; P466-F470 HydrophobicContact CB-CE1 4.37Å; P466-F470 HydrophobicContact CB-CE2 3.75Å; P466-F470 HydrophobicContact CB-CZ 3.78Å; P466-F470 HydrophobicContact CG-CD2 4.26Å; P466-F470 HydrophobicContact CG-CE2 3.45Å; P466-F470 VanDerWaalsContact CG-CE2 3.45Å; P466-F470 HydrophobicContact CG-CZ 3.79Å; P466-F470 WeakPolarHBondContact O-CD2 3.27Å; P466-F470 WeakPolarHBondContact O-CG 3.24Å; P466-F470 PolarHBondContact O-N 2.86Å; P466-F470 VanDerWaalsContact O-N 3.11Å; V467-F470 PolarHBondContact O-N 3.3Å; V467-F470 VanDerWaalsContact O-N 3.14Å; F470-K472 VanDerWaalsContact C-N 3.3Å; F470-I473 CarbonylContact C-O 3.55Å; F470-I473 WeakPolarHBondContact CA-O 3.35Å; F470-A475 HydrophobicContact CD1-CB 3.47Å; F470-A475 VanDerWaalsContact CD1-CB 3.47Å; F470-A475 HydrophobicContact CE1-CB 3.61Å; F470-A475 HydrophobicContact CG-CB 4.11Å; F470-A475 HydrophobicContact CZ-CB 4.34Å; F470-W492 HydrophobicContact CD2-CB 3.89Å; F470-W492 HydrophobicContact CD2-CG 4.24Å; F470-W492 HydrophobicContact CE2-CB 3.54Å; F470-W492 AromaticContact CE2-CD2 3.71Å; F470-W492 HydrophobicContact CE2-CD2 3.71Å; F470-W492 AromaticContact CE2-CE3 3.86Å; F470-W492 HydrophobicContact CE2-CE3 3.86Å; F470-W492 AromaticContact CE2-CG 3.59Å; F470-W492 HydrophobicContact CE2-CG 3.59Å; F470-W492 HydrophobicContact CZ-CD2 4.35Å; F470-W492 HydrophobicContact CZ-CE3 4.06Å; F470-V494 HydrophobicContact CD2-CG2 4.5Å; F470-V494 HydrophobicContact CE2-CG2 4.15Å; F470-V494 HydrophobicContact CZ-CG2 4.31Å
471A91.9Very high91.7Very high66 Ų6642.9 Ų42.955%0.54525%0.245SC..Hα-helixtrans-66.1-33.4168.300000112.4V467 I469 Y521V467-A471 PolarHBondContact O-N 3.44Å; I469-A471 VanDerWaalsContact C-N 3.33Å; I469-A471 PolarHBondContact O-N 2.98Å; A471-Y521 PolarHBondContact O-OH 3.46Å
472K91.9Very high91.8Very high94 Ų9446.8 Ų46.841%0.40926%0.262SS..Hα-helixtrans-99.7-16.6-175.6-68.9175-176.1-74.90114.9W459 D468 I469 F470 Y521W459-K472 HydrophobicContact CB-CD 4.46Å; W459-K472 HydrophobicContact CD2-CD 3.34Å; W459-K472 VanDerWaalsContact CE2-CD 3.46Å; W459-K472 HydrophobicContact CE3-CB 4.3Å; W459-K472 HydrophobicContact CE3-CD 3.69Å; W459-K472 HydrophobicContact CG-CD 3.69Å; W459-K472 HydrophobicContact CH2-CD 4.18Å; W459-K472 HydrophobicContact CZ2-CD 3.9Å; W459-K472 HydrophobicContact CZ3-CB 4.26Å; W459-K472 HydrophobicContact CZ3-CD 4.09Å; D468-K472 PolarHBondContact O-N 3.17Å; I469-K472 CarbonylContact O-C 3.49Å; I469-K472 PolarHBondContact O-N 3.19Å; I469-K472 VanDerWaalsContact O-N 3.12Å; F470-K472 VanDerWaalsContact C-N 3.3Å; K472-Y521 PolarHBondContact O-OH 3.23Å
473I95.4Very high92.1Very high1 Ų141.9 Ų41.91%0.00523%0.233CC..SBendtrans-138.7132.9-178.1-59.1167.1000108.5W439 V442 V445 W459 I469 F470 A475 Y521W439-I473 HydrophobicContact CE3-CD1 4.41Å; W439-I473 HydrophobicContact CZ3-CD1 4.45Å; V442-I473 HydrophobicContact CB-CD1 4.06Å; V442-I473 HydrophobicContact CB-CG1 4.33Å; V442-I473 HydrophobicContact CG1-CD1 3.59Å; V442-I473 HydrophobicContact CG1-CG1 3.98Å; V442-I473 HydrophobicContact CG1-CG2 3.85Å; V445-I473 HydrophobicContact CB-CG2 4.15Å; V445-I473 HydrophobicContact CG1-CG2 3.88Å; W459-I473 HydrophobicContact CZ3-CD1 3.97Å; W459-I473 HydrophobicContact CZ3-CG1 4.43Å; I469-I473 HydrophobicContact CG2-CD1 4.08Å; I469-I473 PolarHBondContact O-N 3.29Å; F470-I473 CarbonylContact C-O 3.55Å; F470-I473 WeakPolarHBondContact CA-O 3.35Å; I473-A475 PolarHBondContact O-N 3.42Å; I473-Y521 PolarHBondContact N-OH 3.5Å
474R96.4Very high92.4Very high49 Ų4945 Ų4519%0.18524%0.241CC..EExtended strand (participates in β ladder)trans-73.4123.4177.4-168.265.5-176.1157.64.3111.2V443 A444 V445 F476 D493 T495 T517 L518 Y521V443-R474 PolarHBondContact O-N 3.28Å; V443-R474 VanDerWaalsContact O-N 3.11Å; A444-R474 CarbonylContact C-O 3.54Å; A444-R474 WeakPolarHBondContact CA-O 3.37Å; V445-R474 PolarHBondContact N-O 3.44Å; R474-F476 HydrophobicContact CB-CE2 3.94Å; R474-F476 HydrophobicContact CB-CZ 4.36Å; R474-F476 HydrophobicContact CG-CD2 4.44Å; R474-F476 HydrophobicContact CG-CE1 4.42Å; R474-F476 HydrophobicContact CG-CE2 3.58Å; R474-F476 HydrophobicContact CG-CZ 3.57Å; R474-D493 IonicContact CZ-OD1 3.16Å; R474-D493 VanDerWaalsContact NH1-CG 3.28Å; R474-D493 IonicContact NH1-OD1 3.74Å; R474-D493 PolarHBondContact NH1-OD1 3.1Å; R474-D493 IonicContact NH1-OD2 2.67Å; R474-D493 PolarHBondContact NH1-OD2 3.43Å; R474-D493 IonicContact NH2-OD1 3Å; R474-T495 PolarHBondContact NE-OG1 3.08Å; R474-T495 PolarHBondContact NH2-OG1 3.29Å; R474-T517 HydrophobicContact CG-CG2 4.48Å; R474-L518 HydrophobicContact CB-CD1 4.48Å; R474-Y521 HydrophobicContact CB-CD1 4Å; R474-Y521 HydrophobicContact CB-CD2 4.37Å; R474-Y521 HydrophobicContact CB-CE1 4.39Å; R474-Y521 HydrophobicContact CB-CG 4Å
475A96.1Very high92.8Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-95.5143.1178.900000113.1V445 V447 F470 I473 V494 T495V445-A475 HydrophobicContact CG1-CB 3.86Å; V445-A475 CarbonylContact O-C 3.32Å; V445-A475 WeakPolarHBondContact O-CA 3.49Å; V447-A475 HydrophobicContact CG2-CB 3.88Å; F470-A475 HydrophobicContact CD1-CB 3.47Å; F470-A475 VanDerWaalsContact CD1-CB 3.47Å; F470-A475 HydrophobicContact CE1-CB 3.61Å; F470-A475 HydrophobicContact CG-CB 4.11Å; F470-A475 HydrophobicContact CZ-CB 4.34Å; I473-A475 PolarHBondContact O-N 3.42Å; A475-V494 HydrophobicContact CB-CB 4.26Å; A475-V494 HydrophobicContact CB-CG1 4.1Å; A475-V494 HydrophobicContact CB-CG2 3.8Å; A475-T495 PolarHBondContact O-N 3.14Å
476F96.9Very high92.9Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-131.8140.6177.4-61.8-87.8000110.5A444 V445 F446 V447 R474 T495 L497 F514 T517 L518A444-F476 HydrophobicContact CB-CD2 4.1Å; A444-F476 HydrophobicContact CB-CE2 3.85Å; V445-F476 PolarHBondContact O-N 3.44Å; F446-F476 CarbonylContact C-O 3.47Å; F446-F476 VanDerWaalsContact CA-O 3.28Å; F446-F476 WeakPolarHBondContact CA-O 3.35Å; F446-F476 HydrophobicContact CD1-CB 4.13Å; F446-F476 HydrophobicContact CE1-CB 4.1Å; V447-F476 PolarHBondContact N-O 2.87Å; R474-F476 HydrophobicContact CB-CE2 3.94Å; R474-F476 HydrophobicContact CB-CZ 4.36Å; R474-F476 HydrophobicContact CG-CD2 4.44Å; R474-F476 HydrophobicContact CG-CE1 4.42Å; R474-F476 HydrophobicContact CG-CE2 3.58Å; R474-F476 HydrophobicContact CG-CZ 3.57Å; F476-T495 CarbonylContact C-O 3.52Å; F476-T495 VanDerWaalsContact CA-O 3.28Å; F476-T495 WeakPolarHBondContact CA-O 3.41Å; F476-T495 HydrophobicContact CD1-CG2 4.17Å; F476-T495 HydrophobicContact CE1-CG2 4.21Å; F476-L497 HydrophobicContact CB-CD1 4.34Å; F476-L497 HydrophobicContact CD1-CD1 4.15Å; F476-L497 HydrophobicContact CD1-CG 4.38Å; F476-F514 HydrophobicContact CB-CD2 4.47Å; F476-F514 HydrophobicContact CB-CE2 4.48Å; F476-F514 AromaticContact CD1-CD2 3.45Å; F476-F514 HydrophobicContact CD1-CD2 3.45Å; F476-F514 VanDerWaalsContact CD1-CD2 3.45Å; F476-F514 AromaticContact CD1-CE2 3.97Å; F476-F514 HydrophobicContact CD1-CE2 3.97Å; F476-F514 AromaticContact CD2-CD2 3.87Å; F476-F514 HydrophobicContact CD2-CD2 3.87Å; F476-F514 AromaticContact CD2-CE2 3.46Å; F476-F514 HydrophobicContact CD2-CE2 3.46Å; F476-F514 VanDerWaalsContact CD2-CE2 3.46Å; F476-F514 AromaticContact CE1-CD2 3.45Å; F476-F514 HydrophobicContact CE1-CD2 3.45Å; F476-F514 VanDerWaalsContact CE1-CD2 3.45Å; F476-F514 AromaticContact CE1-CE2 3.99Å; F476-F514 HydrophobicContact CE1-CE2 3.99Å; F476-F514 HydrophobicContact CE1-CG 4.33Å; F476-F514 AromaticContact CE2-CD2 3.85Å; F476-F514 HydrophobicContact CE2-CD2 3.85Å; F476-F514 AromaticContact CE2-CE2 3.46Å; F476-F514 HydrophobicContact CE2-CE2 3.46Å; F476-F514 VanDerWaalsContact CE2-CE2 3.46Å; F476-F514 HydrophobicContact CE2-CZ 4.41Å; F476-F514 AromaticContact CG-CD2 3.66Å; F476-F514 HydrophobicContact CG-CD2 3.66Å; F476-F514 AromaticContact CG-CE2 3.7Å; F476-F514 HydrophobicContact CG-CE2 3.7Å; F476-F514 AromaticContact CZ-CD2 3.63Å; F476-F514 HydrophobicContact CZ-CD2 3.63Å; F476-F514 AromaticContact CZ-CE2 3.73Å; F476-F514 HydrophobicContact CZ-CE2 3.73Å; F476-T517 HydrophobicContact CE1-CG2 4.09Å; F476-T517 HydrophobicContact CZ-CG2 4.21Å; F476-L518 HydrophobicContact CZ-CB 4.28Å
477H95.3Very high92.8Very high17 Ų1749.3 Ų49.38%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-120.6118.2173.1178.964.6000109V447 V489 V494 T495 L497V447-H477 PolarHBondContact O-ND1 3.35Å; H477-V489 HydrophobicContact CB-CG1 3.77Å; H477-V494 HydrophobicContact CB-CG1 3.67Å; H477-T495 PolarHBondContact N-O 2.75Å; H477-L497 PolarHBondContact O-N 2.83Å
478L94.5Very high92.8Very high15 Ų1548.4 Ų48.48%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-98.3119.7179.4-17065.9000109.2L371 I372 L380 F446 L497 L499 F511L371-L478 HydrophobicContact CB-CD2 3.76Å; L371-L478 HydrophobicContact CB-CG 4.1Å; L371-L478 HydrophobicContact CD1-CG 4.17Å; I372-L478 HydrophobicContact CB-CD2 4.11Å; I372-L478 HydrophobicContact CG2-CD2 4.46Å; L380-L478 HydrophobicContact CD1-CD2 3.88Å; F446-L478 HydrophobicContact CD1-CB 4.28Å; F446-L478 HydrophobicContact CE1-CB 4.4Å; L478-L497 HydrophobicContact CD1-CB 3.62Å; L478-L497 HydrophobicContact CD1-CD1 4.32Å; L478-L499 HydrophobicContact CD1-CD1 3.66Å; L478-L499 HydrophobicContact CD1-CD2 4.43Å; L478-L499 HydrophobicContact CD1-CG 3.73Å; L478-L499 HydrophobicContact CD2-CD1 4Å; L478-L499 HydrophobicContact CG-CD1 3.96Å; L478-L499 HydrophobicContact CG-CG 4.45Å; L478-F511 HydrophobicContact CD1-CE1 4.19Å; L478-F511 HydrophobicContact CD1-CZ 4.47Å
479K93.9Very high92.8Very high20 Ų2045.2 Ų45.29%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-138.3166.3178.765.9164.4-163.4166.60111.5A483 T485 V496 L497 E498 L499K479-A483 HydrophobicContact CB-CB 4.49Å; K479-A483 PolarHBondContact NZ-O 3.47Å; K479-T485 PolarHBondContact NZ-OG1 3.21Å; K479-V496 HydrophobicContact CD-CG1 4.03Å; K479-V496 HydrophobicContact CG-CG1 4.03Å; K479-L497 PolarHBondContact N-O 2.85Å; K479-E498 WeakPolarHBondContact CE-OE1 3.42Å; K479-E498 HydrophobicContact CG-CG 4.46Å; K479-E498 IonicContact NZ-OE1 3.04Å; K479-E498 PolarHBondContact NZ-OE1 3.18Å; K479-L499 PolarHBondContact O-N 3.48Å
480Y94.4Very high92.6Very high35 Ų3551.3 Ų51.314%0.13726%0.264CS..EExtended strand (participates in β ladder)trans-76.2150.4164.8-67.7-60.8000110.7L371 F386 E482 A483 L499 R501L371-Y480 HydrophobicContact CD1-CD1 4.43Å; L371-Y480 HydrophobicContact CD1-CD2 4.21Å; L371-Y480 HydrophobicContact CD1-CE1 4.39Å; L371-Y480 HydrophobicContact CD1-CE2 4.2Å; L371-Y480 HydrophobicContact CD1-CG 4.33Å; L371-Y480 HydrophobicContact CD2-CD2 4.07Å; L371-Y480 HydrophobicContact CD2-CE1 4.3Å; L371-Y480 HydrophobicContact CD2-CE2 3.33Å; L371-Y480 VanDerWaalsContact CD2-CZ 3.45Å; L371-Y480 WeakPolarHBondContact CD2-OH 2.99Å; L371-Y480 HydrophobicContact CG-CE2 4.4Å; F386-Y480 HydrophobicContact CE1-CE1 4.41Å; Y480-E482 VanDerWaalsContact C-N 3.29Å; Y480-E482 PolarHBondContact O-N 3.29Å; Y480-A483 WeakPolarHBondContact O-CB 3.17Å; Y480-A483 PolarHBondContact O-N 3.11Å; Y480-L499 CarbonylContact C-O 3.54Å; Y480-L499 VanDerWaalsContact CA-O 3.22Å; Y480-L499 WeakPolarHBondContact CA-O 3.44Å; Y480-L499 HydrophobicContact CD1-CB 4.26Å; Y480-R501 HydrophobicContact CD1-CG 3.7Å; Y480-R501 HydrophobicContact CD2-CG 4.39Å; Y480-R501 HydrophobicContact CE1-CG 3.98Å; Y480-R501 HydrophobicContact CG-CG 3.94Å
481D91.4Very high92.5Very high68 Ų6859.1 Ų59.136%0.36430%0.298SS..THydrogen-bonded Turntrans-51.6-44174.649.21000112.8A483 L499 S500D481-A483 VanDerWaalsContact C-N 3.28Å; D481-A483 PolarHBondContact O-N 3.24Å; D481-L499 PolarHBondContact N-O 3.29Å; D481-S500 WeakPolarHBondContact OD2-CA 3.4Å; D481-S500 WeakPolarHBondContact OD2-CB 3.49Å; D481-S500 PolarHBondContact OD2-OG 2.94Å
482E90.2Very high92.5Very high136 Ų13657.5 Ų57.564%0.63628%0.278SS*.THydrogen-bonded Turntrans-74.2-15178.1-64.3165.9179.500113.9Y480 R501Y480-E482 VanDerWaalsContact C-N 3.29Å; Y480-E482 PolarHBondContact O-N 3.29Å; E482-R501 IonicContact OE2-NE 3.09Å; E482-R501 PolarHBondContact OE2-NE 2.94Å
483A89.7Confident92.6Very high38 Ų3857.5 Ų57.531%0.31428%0.282SS..SBendtrans-81.3132-175.700000111.1K479 Y480 D481 T485K479-A483 HydrophobicContact CB-CB 4.49Å; K479-A483 PolarHBondContact NZ-O 3.47Å; Y480-A483 WeakPolarHBondContact O-CB 3.17Å; Y480-A483 PolarHBondContact O-N 3.11Å; D481-A483 VanDerWaalsContact C-N 3.28Å; D481-A483 PolarHBondContact O-N 3.24Å; A483-T485 PolarHBondContact O-N 3.32Å
484K89.9Confident92.5Very high188 Ų18858.3 Ų58.382%0.81729%0.287SS*.PPolyproline II helixtrans-65.7129.1173.3-171175.2-179.5178.50109.8
485T90.8Very high92.5Very high21 Ų2156.7 Ų56.713%0.12928%0.283CS..PPolyproline II helixtrans-66.5133.1174.2-49.30000109.8K479 A483 V489 Q490 V496K479-T485 PolarHBondContact NZ-OG1 3.21Å; A483-T485 PolarHBondContact O-N 3.32Å; T485-V489 HydrophobicContact CG2-CB 4.03Å; T485-V489 HydrophobicContact CG2-CG1 3.95Å; T485-Q490 HydrophobicContact CG2-CG 3.91Å; T485-Q490 PolarHBondContact O-NE2 3.18Å; T485-V496 HydrophobicContact CG2-CG2 4.43Å
486D89.4Confident92.4Very high52 Ų5259 Ų5928%0.27830%0.297SS..PPolyproline II helixtrans-58.2137.8177.7-173.5-83.3000111.5N488 V489 Q490D486-N488 PolarHBondContact O-N 3.47Å; D486-N488 VanDerWaalsContact OD1-CB 3.25Å; D486-N488 WeakPolarHBondContact OD1-CB 3.47Å; D486-N488 PolarHBondContact OD1-N 3.47Å; D486-N488 PolarHBondContact OD1-ND2 2.99Å; D486-V489 HydrophobicContact CB-CB 4.4Å; D486-V489 HydrophobicContact CB-CG2 3.95Å; D486-V489 PolarHBondContact O-N 3.28Å; D486-V489 VanDerWaalsContact O-N 3.1Å; D486-Q490 PolarHBondContact O-N 3.36Å
487P90.6Very high92.3Very high76 Ų7659.2 Ų59.249%0.49430%0.298SS..Hα-helixtrans-57.9-29.8-178.8-25.534.4000114.4K491P487-K491 WeakPolarHBondContact O-CG 3.27Å
488N90.9Very high92.3Very high62 Ų6263.1 Ų63.133%0.33232%0.316SS..Hα-helixtrans-72.8-40.4177.9-58.6-57.7000111G449 D486 Q490 K491 W492G449-N488 WeakPolarHBondContact O-CB 3.22Å; D486-N488 PolarHBondContact O-N 3.47Å; D486-N488 VanDerWaalsContact OD1-CB 3.25Å; D486-N488 WeakPolarHBondContact OD1-CB 3.47Å; D486-N488 PolarHBondContact OD1-N 3.47Å; D486-N488 PolarHBondContact OD1-ND2 2.99Å; N488-Q490 PolarHBondContact O-N 3.32Å; N488-K491 PolarHBondContact O-N 2.95Å; N488-W492 HydrophobicContact CB-CD2 4.45Å; N488-W492 HydrophobicContact CB-CE3 4.42Å; N488-W492 HydrophobicContact CB-CH2 3.74Å; N488-W492 HydrophobicContact CB-CZ2 3.75Å; N488-W492 HydrophobicContact CB-CZ3 4.08Å; N488-W492 VanDerWaalsContact O-CG 3.23Å; N488-W492 PolarHBondContact O-N 3.12Å
489V91.4Very high92.3Very high4 Ų462.5 Ų62.52%0.02431%0.313CS..Hα-helixtrans-62.3-35177.1179.10000111.2V447 H477 T485 D486 K491 W492 V494 V496V447-V489 HydrophobicContact CG1-CG2 4.4Å; H477-V489 HydrophobicContact CB-CG1 3.77Å; T485-V489 HydrophobicContact CG2-CB 4.03Å; T485-V489 HydrophobicContact CG2-CG1 3.95Å; D486-V489 HydrophobicContact CB-CB 4.4Å; D486-V489 HydrophobicContact CB-CG2 3.95Å; D486-V489 PolarHBondContact O-N 3.28Å; D486-V489 VanDerWaalsContact O-N 3.1Å; V489-K491 VanDerWaalsContact C-N 3.25Å; V489-K491 PolarHBondContact O-N 3.22Å; V489-W492 PolarHBondContact O-N 3.19Å; V489-V494 HydrophobicContact CG1-CB 4.1Å; V489-V494 HydrophobicContact CG1-CG1 4.12Å; V489-V494 HydrophobicContact CG1-CG2 4.49Å; V489-V496 HydrophobicContact CG1-CG2 4.43Å
490Q90.6Very high92.2Very high129 Ų12962.2 Ų62.260%0.60331%0.314SS*.Hα-helixtrans-65.6-27.4175.8-65.6-178.612.200113.3T485 D486 N488T485-Q490 HydrophobicContact CG2-CG 3.91Å; T485-Q490 PolarHBondContact O-NE2 3.18Å; D486-Q490 PolarHBondContact O-N 3.36Å; N488-Q490 PolarHBondContact O-N 3.32Å
491K90.6Very high92Very high170 Ų17066.1 Ų66.174%0.73933%0.328SS*.Hα-helixtrans-84.7-19.4179.3-67.3176.1-178.4-178.90112.9P487 N488 V489P487-K491 WeakPolarHBondContact O-CG 3.27Å; N488-K491 PolarHBondContact O-N 2.95Å; V489-K491 VanDerWaalsContact C-N 3.25Å; V489-K491 PolarHBondContact O-N 3.22Å
492W92.6Very high91.9Very high32 Ų3270.4 Ų70.412%0.12135%0.345CS..SBendtrans-97.3153.2-174.2-62.9-24.5000111.8V447 G449 A451 F454 P466 F470 N488 V489 V494V447-W492 HydrophobicContact CG1-CE3 4.13Å; V447-W492 HydrophobicContact CG1-CZ3 3.83Å; G449-W492 WeakPolarHBondContact O-CH2 3.34Å; G449-W492 WeakPolarHBondContact O-CZ3 3.36Å; A451-W492 HydrophobicContact CB-CH2 4.16Å; A451-W492 HydrophobicContact CB-CZ2 4.06Å; F454-W492 HydrophobicContact CE2-CH2 4.01Å; F454-W492 AromaticContact CE2-CZ3 3.87Å; F454-W492 HydrophobicContact CE2-CZ3 3.87Å; P466-W492 HydrophobicContact CG-CD2 3.88Å; P466-W492 VanDerWaalsContact CG-CE2 3.46Å; P466-W492 HydrophobicContact CG-CE3 4.39Å; P466-W492 HydrophobicContact CG-CG 4.35Å; P466-W492 HydrophobicContact CG-CH2 4.16Å; P466-W492 HydrophobicContact CG-CZ2 3.63Å; F470-W492 HydrophobicContact CD2-CB 3.89Å; F470-W492 HydrophobicContact CD2-CG 4.24Å; F470-W492 HydrophobicContact CE2-CB 3.54Å; F470-W492 AromaticContact CE2-CD2 3.71Å; F470-W492 HydrophobicContact CE2-CD2 3.71Å; F470-W492 AromaticContact CE2-CE3 3.86Å; F470-W492 HydrophobicContact CE2-CE3 3.86Å; F470-W492 AromaticContact CE2-CG 3.59Å; F470-W492 HydrophobicContact CE2-CG 3.59Å; F470-W492 HydrophobicContact CZ-CD2 4.35Å; F470-W492 HydrophobicContact CZ-CE3 4.06Å; N488-W492 HydrophobicContact CB-CD2 4.45Å; N488-W492 HydrophobicContact CB-CE3 4.42Å; N488-W492 HydrophobicContact CB-CH2 3.74Å; N488-W492 HydrophobicContact CB-CZ2 3.75Å; N488-W492 HydrophobicContact CB-CZ3 4.08Å; N488-W492 VanDerWaalsContact O-CG 3.23Å; N488-W492 PolarHBondContact O-N 3.12Å; V489-W492 PolarHBondContact O-N 3.19Å; W492-V494 HydrophobicContact CB-CG2 3.64Å; W492-V494 PolarHBondContact O-N 3Å
493D93.2Very high91.8Very high95 Ų9569.6 Ų69.651%0.50834%0.34SS..  trans-73.779.4172.1179.618.4000110.5R474R474-D493 IonicContact CZ-OD1 3.16Å; R474-D493 VanDerWaalsContact NH1-CG 3.28Å; R474-D493 IonicContact NH1-OD1 3.74Å; R474-D493 PolarHBondContact NH1-OD1 3.1Å; R474-D493 IonicContact NH1-OD2 2.67Å; R474-D493 PolarHBondContact NH1-OD2 3.43Å; R474-D493 IonicContact NH2-OD1 3Å
494V94.3Very high91.9Very high17 Ų1772.2 Ų72.210%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-125.4131.8-177-1750000109.7V447 F470 A475 H477 V489 W492 V496V447-V494 HydrophobicContact CG2-CG1 4.48Å; V447-V494 HydrophobicContact CG2-CG2 4.48Å; F470-V494 HydrophobicContact CD2-CG2 4.5Å; F470-V494 HydrophobicContact CE2-CG2 4.15Å; F470-V494 HydrophobicContact CZ-CG2 4.31Å; A475-V494 HydrophobicContact CB-CB 4.26Å; A475-V494 HydrophobicContact CB-CG1 4.1Å; A475-V494 HydrophobicContact CB-CG2 3.8Å; H477-V494 HydrophobicContact CB-CG1 3.67Å; V489-V494 HydrophobicContact CG1-CB 4.1Å; V489-V494 HydrophobicContact CG1-CG1 4.12Å; V489-V494 HydrophobicContact CG1-CG2 4.49Å; W492-V494 HydrophobicContact CB-CG2 3.64Å; W492-V494 PolarHBondContact O-N 3Å; V494-V496 PolarHBondContact O-N 2.63Å
495T95.3Very high91.8Very high15 Ų1569.8 Ų69.89%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-81115174-46.30000109.4R474 A475 F476 H477R474-T495 PolarHBondContact NE-OG1 3.08Å; R474-T495 PolarHBondContact NH2-OG1 3.29Å; A475-T495 PolarHBondContact O-N 3.14Å; F476-T495 CarbonylContact C-O 3.52Å; F476-T495 VanDerWaalsContact CA-O 3.28Å; F476-T495 WeakPolarHBondContact CA-O 3.41Å; F476-T495 HydrophobicContact CD1-CG2 4.17Å; F476-T495 HydrophobicContact CE1-CG2 4.21Å; H477-T495 PolarHBondContact N-O 2.75Å
496V95.1Very high91.8Very high49 Ų4972.3 Ų72.330%0.29735%0.345SS..EExtended strand (participates in β ladder)trans-81.5127.3177.3-175.40000109.9K479 T485 V489 V494 E498K479-V496 HydrophobicContact CD-CG1 4.03Å; K479-V496 HydrophobicContact CG-CG1 4.03Å; T485-V496 HydrophobicContact CG2-CG2 4.43Å; V489-V496 HydrophobicContact CG1-CG2 4.43Å; V494-V496 PolarHBondContact O-N 2.63Å; V496-E498 HydrophobicContact CG1-CG 4.03Å
497L95.1Very high92Very high4 Ų469.9 Ų69.92%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-110.6118.3174.7-59.8175.8000107.9F446 F476 H477 L478 K479 V510 F514F446-L497 HydrophobicContact CE1-CD1 4.26Å; F476-L497 HydrophobicContact CB-CD1 4.34Å; F476-L497 HydrophobicContact CD1-CD1 4.15Å; F476-L497 HydrophobicContact CD1-CG 4.38Å; H477-L497 PolarHBondContact O-N 2.83Å; L478-L497 HydrophobicContact CD1-CB 3.62Å; L478-L497 HydrophobicContact CD1-CD1 4.32Å; K479-L497 PolarHBondContact N-O 2.85Å; L497-V510 HydrophobicContact CB-CG1 3.9Å; L497-V510 HydrophobicContact CD2-CG1 4.11Å; L497-V510 HydrophobicContact CG-CG1 4.49Å; L497-F514 HydrophobicContact CD1-CB 3.94Å; L497-F514 HydrophobicContact CD1-CD2 3.96Å; L497-F514 HydrophobicContact CD1-CG 4.31Å; L497-F514 HydrophobicContact CD2-CB 4.2Å
498E94.3Very high92.1Very high100 Ų10073.3 Ų73.347%0.46734%0.335SS..EExtended strand (participates in β ladder)trans-104.1123.9-176.2-57.9-170.7146.700109.7K479 V496 V510K479-E498 WeakPolarHBondContact CE-OE1 3.42Å; K479-E498 HydrophobicContact CG-CG 4.46Å; K479-E498 IonicContact NZ-OE1 3.04Å; K479-E498 PolarHBondContact NZ-OE1 3.18Å; V496-E498 HydrophobicContact CG1-CG 4.03Å; E498-V510 WeakPolarHBondContact O-CG2 3.44Å
499L93.9Very high92.2Very high2 Ų273.6 Ų73.61%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-107.9142.3175.3-66.4178.7000110.2F386 L478 K479 Y480 D481 D507 V510 F511F386-L499 HydrophobicContact CB-CD1 4.36Å; F386-L499 HydrophobicContact CD2-CD1 3.43Å; F386-L499 VanDerWaalsContact CD2-CD1 3.43Å; F386-L499 HydrophobicContact CE2-CD1 3.8Å; F386-L499 HydrophobicContact CG-CD1 3.91Å; L478-L499 HydrophobicContact CD1-CD1 3.66Å; L478-L499 HydrophobicContact CD1-CD2 4.43Å; L478-L499 HydrophobicContact CD1-CG 3.73Å; L478-L499 HydrophobicContact CD2-CD1 4Å; L478-L499 HydrophobicContact CG-CD1 3.96Å; L478-L499 HydrophobicContact CG-CG 4.45Å; K479-L499 PolarHBondContact O-N 3.48Å; Y480-L499 CarbonylContact C-O 3.54Å; Y480-L499 VanDerWaalsContact CA-O 3.22Å; Y480-L499 WeakPolarHBondContact CA-O 3.44Å; Y480-L499 HydrophobicContact CD1-CB 4.26Å; D481-L499 PolarHBondContact N-O 3.29Å; L499-D507 HydrophobicContact CD2-CB 4.46Å; L499-V510 HydrophobicContact CD2-CB 4.37Å; L499-V510 HydrophobicContact CD2-CG1 4.11Å; L499-F511 HydrophobicContact CD1-CZ 4.13Å; L499-F511 HydrophobicContact CD2-CE2 4.09Å; L499-F511 HydrophobicContact CD2-CZ 3.82Å
500S92.5Very high92.3Very high14 Ų1474.7 Ų74.710%0.09835%0.347CS..  trans-84144169.3-170.60000110.5D481 H502 K503 R504D481-S500 WeakPolarHBondContact OD2-CA 3.4Å; D481-S500 WeakPolarHBondContact OD2-CB 3.49Å; D481-S500 PolarHBondContact OD2-OG 2.94Å; S500-H502 VanDerWaalsContact C-N 3.28Å; S500-H502 PolarHBondContact O-N 3.4Å; S500-K503 PolarHBondContact OG-N 2.77Å; S500-R504 PolarHBondContact O-NH1 3.06Å
501R89.5Confident92.5Very high116 Ų11668.6 Ų68.644%0.43832%0.318SS..SBendtrans-66.4-32.6172.5-70.6-177.9-178.1-96.9-0.2112.5Y480 E482 R504Y480-R501 HydrophobicContact CD1-CG 3.7Å; Y480-R501 HydrophobicContact CD2-CG 4.39Å; Y480-R501 HydrophobicContact CE1-CG 3.98Å; Y480-R501 HydrophobicContact CG-CG 3.94Å; E482-R501 IonicContact OE2-NE 3.09Å; E482-R501 PolarHBondContact OE2-NE 2.94Å; R501-R504 PolarHBondContact O-NH2 3.19Å; R501-R504 VanDerWaalsContact O-NH2 3.08Å
502H89.3Confident92.6Very high158 Ų15864.6 Ų64.673%0.73131%0.305SS*.SBendtrans-114.3-30.2-169.5-55.9-67.2000113.4S500 R504S500-H502 VanDerWaalsContact C-N 3.28Å; S500-H502 PolarHBondContact O-N 3.4Å; H502-R504 PolarHBondContact O-N 3.25Å
503K89.7Confident92.7Very high120 Ų12070.7 Ų70.752%0.52233%0.328SS..  trans-94.275.4-173.8-60.7179.4-177.3175.40112.9S500 H505 L506S500-K503 PolarHBondContact OG-N 2.77Å; K503-H505 VanDerWaalsContact C-N 3.27Å; K503-H505 PolarHBondContact O-N 3.39Å; K503-L506 HydrophobicContact CB-CD1 3.78Å; K503-L506 HydrophobicContact CB-CG 4.12Å; K503-L506 HydrophobicContact CD-CD1 3.86Å; K503-L506 HydrophobicContact CG-CD1 4.49Å; K503-L506 WeakPolarHBondContact O-CB 3.47Å; K503-L506 PolarHBondContact O-N 2.95Å; K503-L506 VanDerWaalsContact O-N 3.14Å
504R90.3Very high92.8Very high93 Ų9366.2 Ų66.235%0.35130%0.304SS..G310 helixtrans-64.2-21.6-177.4-62.8-66.1174.5-137.5-3.4115.8S500 R501 H502 L506 D507S500-R504 PolarHBondContact O-NH1 3.06Å; R501-R504 PolarHBondContact O-NH2 3.19Å; R501-R504 VanDerWaalsContact O-NH2 3.08Å; H502-R504 PolarHBondContact O-N 3.25Å; R504-L506 PolarHBondContact O-N 3.3Å; R504-D507 WeakPolarHBondContact CA-OD2 3.49Å; R504-D507 WeakPolarHBondContact CD-OD2 3.4Å; R504-D507 WeakPolarHBondContact O-CB 3.36Å; R504-D507 VanDerWaalsContact O-CG 3.26Å; R504-D507 PolarHBondContact O-N 3.16Å
505H88.5Confident92.8Very high137 Ų13765.7 Ų65.763%0.63430%0.3SS*.G310 helixtrans-67.4-18.8175.561-88.8000112.7K503K503-H505 VanDerWaalsContact C-N 3.27Å; K503-H505 PolarHBondContact O-N 3.39Å
506L91.6Very high92.7Very high73 Ų7370 Ų7038%0.38232%0.319SS..G310 helixtrans-84.5-10.4176.5-58.8178.8000113.1K503 R504 R508 P509 V510K503-L506 HydrophobicContact CB-CD1 3.78Å; K503-L506 HydrophobicContact CB-CG 4.12Å; K503-L506 HydrophobicContact CD-CD1 3.86Å; K503-L506 HydrophobicContact CG-CD1 4.49Å; K503-L506 WeakPolarHBondContact O-CB 3.47Å; K503-L506 PolarHBondContact O-N 2.95Å; K503-L506 VanDerWaalsContact O-N 3.14Å; R504-L506 PolarHBondContact O-N 3.3Å; L506-R508 PolarHBondContact O-N 3.35Å; L506-P509 WeakPolarHBondContact O-CD 3.35Å; L506-P509 WeakPolarHBondContact O-CG 3.35Å; L506-V510 VanDerWaalsContact O-CG2 3.31Å; L506-V510 WeakPolarHBondContact O-CG2 3.25Å; L506-V510 PolarHBondContact O-N 3.08Å
507D91.9Very high92.7Very high1 Ų169.1 Ų69.11%0.00531%0.314CS..Hα-helixtrans-64.5-42.3180-60.1-18.3000111.1F386 L499 R504 V510 F511F386-D507 HydrophobicContact CB-CB 4.42Å; F386-D507 VanDerWaalsContact CB-OD2 3.27Å; F386-D507 WeakPolarHBondContact CB-OD2 3.43Å; F386-D507 PolarHBondContact N-OD2 3.33Å; L499-D507 HydrophobicContact CD2-CB 4.46Å; R504-D507 WeakPolarHBondContact CA-OD2 3.49Å; R504-D507 WeakPolarHBondContact CD-OD2 3.4Å; R504-D507 WeakPolarHBondContact O-CB 3.36Å; R504-D507 VanDerWaalsContact O-CG 3.26Å; R504-D507 PolarHBondContact O-N 3.16Å; D507-V510 WeakPolarHBondContact O-CB 3.42Å; D507-V510 PolarHBondContact O-N 3.2Å; D507-F511 HydrophobicContact CB-CD2 4.36Å; D507-F511 HydrophobicContact CB-CE2 4.05Å; D507-F511 WeakPolarHBondContact O-CD2 3.47Å; D507-F511 PolarHBondContact O-N 3.17Å
508R92.6Very high92.7Very high149 Ų14969 Ų6956%0.56231%0.313SS*.Hα-helixtrans-56.7-53.2-178.6-172.4-179.9-177.496.1-2.9113L384 L506 V510 F511 L512L384-R508 HydrophobicContact CB-CG 4.12Å; L384-R508 HydrophobicContact CD1-CG 4.07Å; L506-R508 PolarHBondContact O-N 3.35Å; R508-V510 VanDerWaalsContact C-N 3.29Å; R508-V510 PolarHBondContact O-N 3.47Å; R508-F511 PolarHBondContact O-N 3.03Å; R508-L512 HydrophobicContact CG-CD1 4.23Å; R508-L512 WeakPolarHBondContact O-CG 3.42Å; R508-L512 PolarHBondContact O-N 3.41Å
509P93.8Very high92.6Very high68 Ų6865.3 Ų65.344%0.44230%0.297SS..Hα-helixtrans-63.1-32.7177.721.7-31.8000113.3L506 L512 R513L506-P509 WeakPolarHBondContact O-CD 3.35Å; L506-P509 WeakPolarHBondContact O-CG 3.35Å; P509-L512 PolarHBondContact O-N 2.87Å; P509-R513 PolarHBondContact O-N 3.45Å
510V94.6Very high92.5Very high27 Ų2773.3 Ų73.316%0.16433%0.327CS..Hα-helixtrans-63-46.2176.1173.90000110.9L497 E498 L499 L506 D507 R508 R513 F514L497-V510 HydrophobicContact CB-CG1 3.9Å; L497-V510 HydrophobicContact CD2-CG1 4.11Å; L497-V510 HydrophobicContact CG-CG1 4.49Å; E498-V510 WeakPolarHBondContact O-CG2 3.44Å; L499-V510 HydrophobicContact CD2-CB 4.37Å; L499-V510 HydrophobicContact CD2-CG1 4.11Å; L506-V510 VanDerWaalsContact O-CG2 3.31Å; L506-V510 WeakPolarHBondContact O-CG2 3.25Å; L506-V510 PolarHBondContact O-N 3.08Å; D507-V510 WeakPolarHBondContact O-CB 3.42Å; D507-V510 PolarHBondContact O-N 3.2Å; R508-V510 VanDerWaalsContact C-N 3.29Å; R508-V510 PolarHBondContact O-N 3.47Å; V510-R513 WeakPolarHBondContact O-CB 3.37Å; V510-R513 PolarHBondContact O-N 3.29Å; V510-F514 PolarHBondContact O-N 3.42Å
511F94.5Very high92.6Very high0 Ų073.8 Ų73.80%033%0.327CS..Hα-helixtrans-74.3-27.9178.1-63-54.8000113.5L380 L384 F386 L478 L499 D507 R508 F514 W515L380-F511 HydrophobicContact CD1-CE1 4.12Å; L380-F511 HydrophobicContact CD1-CZ 3.73Å; L380-F511 HydrophobicContact CD2-CD1 3.61Å; L380-F511 HydrophobicContact CD2-CE1 3.11Å; L380-F511 HydrophobicContact CD2-CE2 4.23Å; L380-F511 HydrophobicContact CD2-CG 4.39Å; L380-F511 HydrophobicContact CD2-CZ 3.48Å; L380-F511 VanDerWaalsContact CD2-CZ 3.48Å; L380-F511 HydrophobicContact CG-CD1 4.27Å; L380-F511 HydrophobicContact CG-CE1 3.56Å; L380-F511 HydrophobicContact CG-CE2 3.82Å; L380-F511 HydrophobicContact CG-CZ 3.29Å; L384-F511 HydrophobicContact CB-CB 4.34Å; L384-F511 HydrophobicContact CD2-CB 3.63Å; F386-F511 HydrophobicContact CB-CE2 4.48Å; L478-F511 HydrophobicContact CD1-CE1 4.19Å; L478-F511 HydrophobicContact CD1-CZ 4.47Å; L499-F511 HydrophobicContact CD1-CZ 4.13Å; L499-F511 HydrophobicContact CD2-CE2 4.09Å; L499-F511 HydrophobicContact CD2-CZ 3.82Å; D507-F511 HydrophobicContact CB-CD2 4.36Å; D507-F511 HydrophobicContact CB-CE2 4.05Å; D507-F511 WeakPolarHBondContact O-CD2 3.47Å; D507-F511 PolarHBondContact O-N 3.17Å; R508-F511 PolarHBondContact O-N 3.03Å; F511-F514 WeakPolarHBondContact O-CB 3.38Å; F511-F514 PolarHBondContact O-N 3.01Å; F511-W515 PolarHBondContact O-N 2.86Å
512L92.9Very high92.7Very high87 Ų8768.3 Ų68.346%0.45531%0.306SS..Hα-helixtrans-63.1-43.3168.6-73173.9000111.4L384 R508 P509 F514 W515 E516L384-L512 HydrophobicContact CD1-CD2 3.73Å; L384-L512 HydrophobicContact CD1-CG 4.04Å; R508-L512 HydrophobicContact CG-CD1 4.23Å; R508-L512 WeakPolarHBondContact O-CG 3.42Å; R508-L512 PolarHBondContact O-N 3.41Å; P509-L512 PolarHBondContact O-N 2.87Å; L512-F514 VanDerWaalsContact C-N 3.33Å; L512-F514 PolarHBondContact O-N 3.49Å; L512-W515 PolarHBondContact O-N 2.98Å; L512-E516 PolarHBondContact O-N 3.31Å
513R94.1Very high92.8Very high160 Ų16065.5 Ų65.560%0.60430%0.3SS*.Hα-helixtrans-62.3-38.7174.9-175.3179.3178.8-179.2-0.4112.3P509 V510 T517P509-R513 PolarHBondContact O-N 3.45Å; V510-R513 WeakPolarHBondContact O-CB 3.37Å; V510-R513 PolarHBondContact O-N 3.29Å; R513-T517 WeakPolarHBondContact O-CB 3.23Å; R513-T517 PolarHBondContact O-N 3.22Å; R513-T517 PolarHBondContact O-OG1 3.4Å
514F95.5Very high92.9Very high0 Ų067.6 Ų67.60%031%0.309CS..Hα-helixtrans-55.5-52.5171162-93.3000111I362 L381 F446 F476 L497 V510 F511 L512 E516 T517 L518I362-F514 HydrophobicContact CD1-CZ 4.43Å; L381-F514 HydrophobicContact CD2-CD1 4.09Å; L381-F514 HydrophobicContact CD2-CE1 3.66Å; L381-F514 HydrophobicContact CD2-CZ 4.02Å; F446-F514 AromaticContact CE2-CE2 3.95Å; F446-F514 HydrophobicContact CE2-CE2 3.95Å; F446-F514 HydrophobicContact CE2-CZ 4.17Å; F446-F514 HydrophobicContact CZ-CD2 4.13Å; F446-F514 AromaticContact CZ-CE2 3.63Å; F446-F514 HydrophobicContact CZ-CE2 3.63Å; F446-F514 HydrophobicContact CZ-CZ 4.09Å; F476-F514 HydrophobicContact CB-CD2 4.47Å; F476-F514 HydrophobicContact CB-CE2 4.48Å; F476-F514 AromaticContact CD1-CD2 3.45Å; F476-F514 HydrophobicContact CD1-CD2 3.45Å; F476-F514 VanDerWaalsContact CD1-CD2 3.45Å; F476-F514 AromaticContact CD1-CE2 3.97Å; F476-F514 HydrophobicContact CD1-CE2 3.97Å; F476-F514 AromaticContact CD2-CD2 3.87Å; F476-F514 HydrophobicContact CD2-CD2 3.87Å; F476-F514 AromaticContact CD2-CE2 3.46Å; F476-F514 HydrophobicContact CD2-CE2 3.46Å; F476-F514 VanDerWaalsContact CD2-CE2 3.46Å; F476-F514 AromaticContact CE1-CD2 3.45Å; F476-F514 HydrophobicContact CE1-CD2 3.45Å; F476-F514 VanDerWaalsContact CE1-CD2 3.45Å; F476-F514 AromaticContact CE1-CE2 3.99Å; F476-F514 HydrophobicContact CE1-CE2 3.99Å; F476-F514 HydrophobicContact CE1-CG 4.33Å; F476-F514 AromaticContact CE2-CD2 3.85Å; F476-F514 HydrophobicContact CE2-CD2 3.85Å; F476-F514 AromaticContact CE2-CE2 3.46Å; F476-F514 HydrophobicContact CE2-CE2 3.46Å; F476-F514 VanDerWaalsContact CE2-CE2 3.46Å; F476-F514 HydrophobicContact CE2-CZ 4.41Å; F476-F514 AromaticContact CG-CD2 3.66Å; F476-F514 HydrophobicContact CG-CD2 3.66Å; F476-F514 AromaticContact CG-CE2 3.7Å; F476-F514 HydrophobicContact CG-CE2 3.7Å; F476-F514 AromaticContact CZ-CD2 3.63Å; F476-F514 HydrophobicContact CZ-CD2 3.63Å; F476-F514 AromaticContact CZ-CE2 3.73Å; F476-F514 HydrophobicContact CZ-CE2 3.73Å; L497-F514 HydrophobicContact CD1-CB 3.94Å; L497-F514 HydrophobicContact CD1-CD2 3.96Å; L497-F514 HydrophobicContact CD1-CG 4.31Å; L497-F514 HydrophobicContact CD2-CB 4.2Å; V510-F514 PolarHBondContact O-N 3.42Å; F511-F514 WeakPolarHBondContact O-CB 3.38Å; F511-F514 PolarHBondContact O-N 3.01Å; L512-F514 VanDerWaalsContact C-N 3.33Å; L512-F514 PolarHBondContact O-N 3.49Å; F514-E516 PolarHBondContact O-N 3.37Å; F514-T517 PolarHBondContact O-N 3.37Å; F514-L518 HydrophobicContact CE1-CD2 4.16Å; F514-L518 HydrophobicContact CZ-CD2 3.93Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 2.7Å
515W94.4Very high92.9Very high7 Ų767.5 Ų67.53%0.02731%0.312CS..Hα-helixtrans-65.2-39-178-77.8123.4000113I362 L381 R407 Y425 F511 L512 L518 D519I362-W515 HydrophobicContact CD1-CH2 4.03Å; I362-W515 HydrophobicContact CD1-CZ3 4.38Å; L381-W515 HydrophobicContact CB-CZ2 3.93Å; L381-W515 VanDerWaalsContact O-CZ2 3.3Å; L381-W515 WeakPolarHBondContact O-CZ2 3.29Å; L381-W515 PolarHBondContact O-NE1 3.23Å; R407-W515 VanDerWaalsContact NH1-CE3 3.31Å; Y425-W515 HydrophobicContact CD1-CH2 4.27Å; Y425-W515 HydrophobicContact CD1-CZ3 4.16Å; Y425-W515 HydrophobicContact CD2-CH2 4.05Å; Y425-W515 HydrophobicContact CD2-CZ3 4.28Å; Y425-W515 HydrophobicContact CE1-CH2 4.31Å; Y425-W515 AromaticContact CE1-CZ3 3.77Å; Y425-W515 HydrophobicContact CE1-CZ3 3.77Å; Y425-W515 HydrophobicContact CE2-CH2 4.08Å; Y425-W515 AromaticContact CE2-CZ3 3.88Å; Y425-W515 HydrophobicContact CE2-CZ3 3.88Å; Y425-W515 HydrophobicContact CG-CH2 4.17Å; Y425-W515 HydrophobicContact CG-CZ3 4.42Å; Y425-W515 AromaticContact CZ-CZ3 3.63Å; F511-W515 PolarHBondContact O-N 2.86Å; L512-W515 PolarHBondContact O-N 2.98Å; W515-L518 HydrophobicContact CE3-CD2 3.92Å; W515-L518 HydrophobicContact CZ3-CD2 3.72Å; W515-L518 PolarHBondContact O-N 3.35Å; W515-D519 WeakPolarHBondContact O-CB 3.45Å; W515-D519 PolarHBondContact O-N 3.08Å
516E93.3Very high93Very high105 Ų10561.6 Ų61.649%0.49129%0.285SS..Hα-helixtrans-62.5-45.5175.2-168.1-160.7155.100111.5L512 F514 L518 D519 R520L512-E516 PolarHBondContact O-N 3.31Å; F514-E516 PolarHBondContact O-N 3.37Å; E516-L518 VanDerWaalsContact C-N 3.31Å; E516-L518 PolarHBondContact O-N 3.19Å; E516-D519 PolarHBondContact O-N 3.22Å; E516-R520 WeakPolarHBondContact O-CB 3.35Å; E516-R520 PolarHBondContact O-N 3.31Å; E516-R520 IonicContact OE1-CZ 3.64Å; E516-R520 IonicContact OE1-NH2 3.65Å; E516-R520 PolarHBondContact OE1-NH2 3.12Å
517T94.9Very high92.8Very high31 Ų3162.5 Ų62.519%0.1930%0.297CS..Hα-helixtrans-61.8-42.8177.5-56.10000110.7R474 F476 R513 F514 Y521R474-T517 HydrophobicContact CG-CG2 4.48Å; F476-T517 HydrophobicContact CE1-CG2 4.09Å; F476-T517 HydrophobicContact CZ-CG2 4.21Å; R513-T517 WeakPolarHBondContact O-CB 3.23Å; R513-T517 PolarHBondContact O-N 3.22Å; R513-T517 PolarHBondContact O-OG1 3.4Å; F514-T517 PolarHBondContact O-N 3.37Å; T517-Y521 PolarHBondContact O-N 3.37Å; T517-Y521 VanDerWaalsContact O-N 3.15Å
518L94.4Very high92.5Very high0 Ų065.7 Ų65.70%031%0.312CS..Hα-helixtrans-68.1-44.3178.7-176.557.4000112Y425 V443 A444 R474 F476 F514 W515 E516 R520 Y521 M522Y425-L518 HydrophobicContact CE1-CD2 4.34Å; V443-L518 HydrophobicContact CB-CD1 4.09Å; V443-L518 HydrophobicContact CG2-CD1 4.03Å; V443-L518 HydrophobicContact CG2-CD2 4.3Å; A444-L518 HydrophobicContact CB-CD1 3.93Å; A444-L518 HydrophobicContact CB-CD2 4.18Å; R474-L518 HydrophobicContact CB-CD1 4.48Å; F476-L518 HydrophobicContact CZ-CB 4.28Å; F514-L518 HydrophobicContact CE1-CD2 4.16Å; F514-L518 HydrophobicContact CZ-CD2 3.93Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 2.7Å; W515-L518 HydrophobicContact CE3-CD2 3.92Å; W515-L518 HydrophobicContact CZ3-CD2 3.72Å; W515-L518 PolarHBondContact O-N 3.35Å; E516-L518 VanDerWaalsContact C-N 3.31Å; E516-L518 PolarHBondContact O-N 3.19Å; L518-R520 VanDerWaalsContact C-N 3.34Å; L518-R520 PolarHBondContact O-N 3.49Å; L518-Y521 WeakPolarHBondContact O-CB 3.49Å; L518-Y521 PolarHBondContact O-N 3.24Å; L518-M522 HydrophobicContact CD1-CG 4.04Å; L518-M522 HydrophobicContact CD1-SD 3.97Å; L518-M522 HydrophobicContact CD2-SD 4.26Å; L518-M522 HydrophobicContact CG-CG 4.27Å; L518-M522 HydrophobicContact CG-SD 3.68Å; L518-M522 WeakPolarHBondContact O-CB 3.48Å; L518-M522 VanDerWaalsContact O-CG 3.24Å; L518-M522 WeakPolarHBondContact O-CG 3.12Å; L518-M522 PolarHBondContact O-N 3.4Å
519D92.4Very high92.3Very high24 Ų2458.9 Ų58.913%0.12829%0.287CS..Hα-helixtrans-59-46.6177-82.2-29.8000111.3R407 K409 W515 E516 Y521 M522 V523R407-D519 IonicContact CZ-OD1 3.29Å; R407-D519 IonicContact CZ-OD2 3.38Å; R407-D519 VanDerWaalsContact CZ-OD2 3.32Å; R407-D519 IonicContact NH1-OD1 2.84Å; R407-D519 PolarHBondContact NH1-OD1 3.28Å; R407-D519 IonicContact NH1-OD2 2.64Å; R407-D519 PolarHBondContact NH1-OD2 2.94Å; R407-D519 VanDerWaalsContact NH1-OD2 3.09Å; R407-D519 IonicContact NH2-OD1 3.33Å; R407-D519 IonicContact NH2-OD2 3.32Å; R407-D519 PolarHBondContact NH2-OD2 3.11Å; K409-D519 IonicContact NZ-OD1 3.03Å; K409-D519 PolarHBondContact NZ-OD1 2.9Å; K409-D519 IonicContact NZ-OD2 3.08Å; W515-D519 WeakPolarHBondContact O-CB 3.45Å; W515-D519 PolarHBondContact O-N 3.08Å; E516-D519 PolarHBondContact O-N 3.22Å; D519-Y521 VanDerWaalsContact C-N 3.27Å; D519-Y521 PolarHBondContact O-N 3.14Å; D519-M522 PolarHBondContact O-N 3.24Å; D519-V523 WeakPolarHBondContact O-CG2 3.4Å; D519-V523 PolarHBondContact O-N 3.4Å
520R92.8Very high91.8Very high169 Ų16963.3 Ų63.364%0.63830%0.295SS*.Hα-helixtrans-58.9-41.5178-167.6-176.4-58.2-177.82.1111.5E516 L518E516-R520 WeakPolarHBondContact O-CB 3.35Å; E516-R520 PolarHBondContact O-N 3.31Å; E516-R520 IonicContact OE1-CZ 3.64Å; E516-R520 IonicContact OE1-NH2 3.65Å; E516-R520 PolarHBondContact OE1-NH2 3.12Å; L518-R520 VanDerWaalsContact C-N 3.34Å; L518-R520 PolarHBondContact O-N 3.49Å
521Y93.4Very high91.1Very high25 Ų2564.3 Ų64.310%0.09830%0.297CS..Hα-helixtrans-64.5-47.4175.2178.9-99.3000111.9A471 K472 I473 R474 T517 L518 D519 V523 K524 H525 K526A471-Y521 PolarHBondContact O-OH 3.46Å; K472-Y521 PolarHBondContact O-OH 3.23Å; I473-Y521 PolarHBondContact N-OH 3.5Å; R474-Y521 HydrophobicContact CB-CD1 4Å; R474-Y521 HydrophobicContact CB-CD2 4.37Å; R474-Y521 HydrophobicContact CB-CE1 4.39Å; R474-Y521 HydrophobicContact CB-CG 4Å; T517-Y521 PolarHBondContact O-N 3.37Å; T517-Y521 VanDerWaalsContact O-N 3.15Å; L518-Y521 WeakPolarHBondContact O-CB 3.49Å; L518-Y521 PolarHBondContact O-N 3.24Å; D519-Y521 VanDerWaalsContact C-N 3.27Å; D519-Y521 PolarHBondContact O-N 3.14Å; Y521-V523 PolarHBondContact O-N 2.94Å; Y521-K524 PolarHBondContact O-N 3.18Å; Y521-H525 AromaticContact CD2-CD2 3.56Å; Y521-H525 HydrophobicContact CE1-CB 4.15Å; Y521-H525 HydrophobicContact CE2-CB 4.04Å; Y521-H525 AromaticContact CE2-CD2 3.41Å; Y521-H525 VanDerWaalsContact CE2-CD2 3.41Å; Y521-H525 WeakPolarHBondContact CE2-CD2 3.31Å; Y521-H525 AromaticContact CE2-CG 3.75Å; Y521-H525 AromaticContact CZ-CG 4Å; Y521-H525 PolarHBondContact O-N 3.47Å; Y521-K526 HydrophobicContact CE1-CG 4.33Å
522M92.1Very high90.9Very high0 Ų067.6 Ų67.60%031%0.312CS..Hα-helixtrans-66.9-36.2-176.1-69.2172.779.200112.6P360 Y425 V443 L518 D519 K524 K526 S527 F531P360-M522 HydrophobicContact CB-CE 3.67Å; P360-M522 HydrophobicContact CG-CE 3.98Å; Y425-M522 HydrophobicContact CE1-CE 4.04Å; Y425-M522 HydrophobicContact CE1-SD 4.16Å; V443-M522 HydrophobicContact CB-CE 4.24Å; V443-M522 HydrophobicContact CB-CG 4.09Å; V443-M522 HydrophobicContact CB-SD 4.15Å; V443-M522 HydrophobicContact CG1-CE 3.81Å; V443-M522 HydrophobicContact CG1-CG 4.16Å; V443-M522 HydrophobicContact CG1-SD 4.31Å; V443-M522 HydrophobicContact CG2-CE 4.14Å; V443-M522 HydrophobicContact CG2-SD 4.05Å; L518-M522 HydrophobicContact CD1-CG 4.04Å; L518-M522 HydrophobicContact CD1-SD 3.97Å; L518-M522 HydrophobicContact CD2-SD 4.26Å; L518-M522 HydrophobicContact CG-CG 4.27Å; L518-M522 HydrophobicContact CG-SD 3.68Å; L518-M522 WeakPolarHBondContact O-CB 3.48Å; L518-M522 VanDerWaalsContact O-CG 3.24Å; L518-M522 WeakPolarHBondContact O-CG 3.12Å; L518-M522 PolarHBondContact O-N 3.4Å; D519-M522 PolarHBondContact O-N 3.24Å; M522-K524 VanDerWaalsContact C-N 3.28Å; M522-K524 PolarHBondContact O-N 3.27Å; M522-K526 HydrophobicContact CB-CB 4.36Å; M522-K526 HydrophobicContact CG-CB 4.49Å; M522-K526 CarbonylContact O-C 3.55Å; M522-K526 VanDerWaalsContact O-CA 3.29Å; M522-K526 WeakPolarHBondContact O-CA 3.39Å; M522-K526 PolarHBondContact O-N 3.39Å; M522-S527 PolarHBondContact O-N 3.07Å; M522-F531 HydrophobicContact CB-CD1 4.2Å; M522-F531 HydrophobicContact CB-CD2 3.59Å; M522-F531 HydrophobicContact CB-CE1 3.93Å; M522-F531 HydrophobicContact CB-CE2 3.28Å; M522-F531 HydrophobicContact CB-CG 4.06Å; M522-F531 HydrophobicContact CB-CZ 3.49Å; M522-F531 VanDerWaalsContact CB-CZ 3.49Å; M522-F531 HydrophobicContact CE-CB 3.2Å; M522-F531 HydrophobicContact CE-CD1 3.64Å; M522-F531 HydrophobicContact CE-CD2 3.78Å; M522-F531 HydrophobicContact CE-CE1 4.48Å; M522-F531 HydrophobicContact CE-CG 3.23Å; M522-F531 HydrophobicContact CG-CD2 4.39Å; M522-F531 HydrophobicContact CG-CE2 4.49Å; M522-F531 WeakPolarHBondContact O-CZ 3.44Å; M522-F531 HydrophobicContact SD-CB 4.23Å; M522-F531 HydrophobicContact SD-CD2 3.96Å; M522-F531 HydrophobicContact SD-CG 4.05Å
523V91.2Very high90.8Very high99 Ų9966.5 Ų66.560%0.630%0.304SS*.Hα-helixtrans-58.4-41.6173.7171.40000111.3D519 Y521 F531D519-V523 WeakPolarHBondContact O-CG2 3.4Å; D519-V523 PolarHBondContact O-N 3.4Å; Y521-V523 PolarHBondContact O-N 2.94Å; V523-F531 HydrophobicContact CG2-CE2 3.92Å; V523-F531 HydrophobicContact CG2-CZ 4.14Å
524K91.4Very high90.6Very high165 Ų16561.3 Ų61.372%0.71729%0.287SS*.Hα-helixtrans-81.3-41.3-176.5-173.8176.2175.9-174.50113.3Y521 M522Y521-K524 PolarHBondContact O-N 3.18Å; M522-K524 VanDerWaalsContact C-N 3.28Å; M522-K524 PolarHBondContact O-N 3.27Å
525H90.3Very high90.3Very high91 Ų9164.9 Ų64.942%0.42130%0.304SS..Hα-helixtrans-111.9-18.4-167.8-65.6-81.4000114.5Y521Y521-H525 AromaticContact CD2-CD2 3.56Å; Y521-H525 HydrophobicContact CE1-CB 4.15Å; Y521-H525 HydrophobicContact CE2-CB 4.04Å; Y521-H525 AromaticContact CE2-CD2 3.41Å; Y521-H525 VanDerWaalsContact CE2-CD2 3.41Å; Y521-H525 WeakPolarHBondContact CE2-CD2 3.31Å; Y521-H525 AromaticContact CE2-CG 3.75Å; Y521-H525 AromaticContact CZ-CG 4Å; Y521-H525 PolarHBondContact O-N 3.47Å
526K90.9Very high90.1Very high13 Ų1368.6 Ų68.66%0.05732%0.322CS..  trans-135.136.7-171.1-60.2-68.1-177.5176.90113D440 V443 Y521 M522 H528 L529 F531D440-K526 WeakPolarHBondContact O-CE 3.39Å; D440-K526 PolarHBondContact O-NZ 2.77Å; D440-K526 IonicContact OD1-NZ 3.41Å; D440-K526 PolarHBondContact OD1-NZ 3.34Å; V443-K526 HydrophobicContact CG1-CB 4.45Å; V443-K526 HydrophobicContact CG1-CG 4.09Å; Y521-K526 HydrophobicContact CE1-CG 4.33Å; M522-K526 HydrophobicContact CB-CB 4.36Å; M522-K526 HydrophobicContact CG-CB 4.49Å; M522-K526 CarbonylContact O-C 3.55Å; M522-K526 VanDerWaalsContact O-CA 3.29Å; M522-K526 WeakPolarHBondContact O-CA 3.39Å; M522-K526 PolarHBondContact O-N 3.39Å; K526-H528 PolarHBondContact O-N 2.84Å; K526-L529 HydrophobicContact CB-CD1 3.9Å; K526-L529 HydrophobicContact CB-CG 4.25Å; K526-L529 HydrophobicContact CD-CD1 4.25Å; K526-L529 HydrophobicContact CG-CD1 4.29Å; K526-L529 WeakPolarHBondContact O-CB 3.49Å; K526-L529 PolarHBondContact O-N 3.42Å; K526-F531 VanDerWaalsContact O-CE1 3.25Å; K526-F531 WeakPolarHBondContact O-CE1 3.37Å
527S86.9Confident89.9Confident91 Ų9166.1 Ų66.164%0.63631%0.31SS*.THydrogen-bonded Turntrans-59.4-20.7-179.761.30000114.4M522 L529M522-S527 PolarHBondContact O-N 3.07Å; S527-L529 VanDerWaalsContact C-N 3.29Å; S527-L529 PolarHBondContact O-N 2.96Å
528H86.6Confident89.5Confident68 Ų6868.6 Ų68.632%0.31532%0.319SS..THydrogen-bonded Turntrans-77.1-9.117570.5-93.1000113.3R358 D440 K526R358-H528 PolarHBondContact NE-O 2.93Å; R358-H528 VanDerWaalsContact NH2-C 3.35Å; R358-H528 PolarHBondContact NH2-O 3.07Å; D440-H528 IonicContact OD1-CE1 3.67Å; D440-H528 IonicContact OD2-CE1 3.47Å; D440-H528 PolarHBondContact OD2-CE1 3.01Å; D440-H528 IonicContact OD2-NE2 3.3Å; D440-H528 PolarHBondContact OD2-NE2 3.47Å; K526-H528 PolarHBondContact O-N 2.84Å
529L88.4Confident89.1Confident7 Ų773.9 Ų73.94%0.03734%0.343CS..SBendtrans-86.5166174.2-61.4-179.8000111P360 R441 V443 K526 S527 F531P360-L529 HydrophobicContact CB-CD1 4.21Å; R441-L529 HydrophobicContact CB-CD2 4.15Å; R441-L529 HydrophobicContact CG-CD2 4.05Å; V443-L529 HydrophobicContact CG1-CD1 3.38Å; K526-L529 HydrophobicContact CB-CD1 3.9Å; K526-L529 HydrophobicContact CB-CG 4.25Å; K526-L529 HydrophobicContact CD-CD1 4.25Å; K526-L529 HydrophobicContact CG-CD1 4.29Å; K526-L529 WeakPolarHBondContact O-CB 3.49Å; K526-L529 PolarHBondContact O-N 3.42Å; S527-L529 VanDerWaalsContact C-N 3.29Å; S527-L529 PolarHBondContact O-N 2.96Å; L529-F531 HydrophobicContact CB-CD1 4.07Å
530R83.3Confident88.8Confident161 Ų16178.1 Ų78.161%0.60836%0.361SS*.  trans-100.2102.5176.2-176.9-176.9177-169.6-1.4108.6R358R358-R530 HydrophobicContact CB-CB 4.1Å; R358-R530 PolarHBondContact O-N 3.02Å
531F78.8Confident88.5Confident48 Ų4869.8 Ų69.821%0.21134%0.336CS..  trans-150.80-174.472.2-84.3000116.1K409 V423 M522 V523 K526 L529K409-F531 WeakPolarHBondContact CD-OXT 3.27Å; K409-F531 PolarHBondContact NZ-OXT 3.38Å; V423-F531 VanDerWaalsContact CG1-CA 3.5Å; V423-F531 HydrophobicContact CG1-CB 4.14Å; V423-F531 WeakPolarHBondContact CG2-OXT 3.06Å; M522-F531 HydrophobicContact CB-CD1 4.2Å; M522-F531 HydrophobicContact CB-CD2 3.59Å; M522-F531 HydrophobicContact CB-CE1 3.93Å; M522-F531 HydrophobicContact CB-CE2 3.28Å; M522-F531 HydrophobicContact CB-CG 4.06Å; M522-F531 HydrophobicContact CB-CZ 3.49Å; M522-F531 VanDerWaalsContact CB-CZ 3.49Å; M522-F531 HydrophobicContact CE-CB 3.2Å; M522-F531 HydrophobicContact CE-CD1 3.64Å; M522-F531 HydrophobicContact CE-CD2 3.78Å; M522-F531 HydrophobicContact CE-CE1 4.48Å; M522-F531 HydrophobicContact CE-CG 3.23Å; M522-F531 HydrophobicContact CG-CD2 4.39Å; M522-F531 HydrophobicContact CG-CE2 4.49Å; M522-F531 WeakPolarHBondContact O-CZ 3.44Å; M522-F531 HydrophobicContact SD-CB 4.23Å; M522-F531 HydrophobicContact SD-CD2 3.96Å; M522-F531 HydrophobicContact SD-CG 4.05Å; V523-F531 HydrophobicContact CG2-CE2 3.92Å; V523-F531 HydrophobicContact CG2-CZ 4.14Å; K526-F531 VanDerWaalsContact O-CE1 3.25Å; K526-F531 WeakPolarHBondContact O-CE1 3.37Å; L529-F531 HydrophobicContact CB-CD1 4.07Å

Retrieved 531 of 531 residues in 126.3 ms (Link to these results)

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