G4V889_SCHMA Loading...

SWIB domain-containing protein

AlphaFold DB , UniProt , Accession G4V889, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 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
1M56.2Low84.2Confident195 Ų19581.5 Ų81.596%0.96145%0.451SS*.  0126.50-74.8168.7160.500106.9I40M1-I40 HydrophobicContact CB-CD1 4.28Å; M1-I40 HydrophobicContact CB-CG1 4.21Å
2A74.1Confident84.7Confident90 Ų9079.4 Ų79.474%0.74443%0.434SS*.PPolyproline II helixtrans-72.8131.8-178.200000109.5I40A2-I40 WeakPolarHBondContact O-CD1 3.41Å
3Y80.1Confident85.3Confident154 Ų15473.3 Ų73.360%0.60440%0.4SS*.PPolyproline II helixtrans-60.4135.2171.3-78.7-86.8000109.4I40Y3-I40 HydrophobicContact CD1-CG2 4.22Å; Y3-I40 HydrophobicContact CE1-CG2 4.07Å
4P81.8Confident85.7Confident10 Ų1074.4 Ų74.47%0.06540%0.401CS..PPolyproline II helixtrans-63.2142.7177.627.9-34.2000110L9 F38 L42P4-L9 HydrophobicContact CB-CD2 4.1Å; P4-L9 HydrophobicContact CB-CG 4.16Å; P4-L9 HydrophobicContact CG-CD1 4.33Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.02Å; P4-F38 HydrophobicContact CB-CD1 3.75Å; P4-F38 HydrophobicContact CB-CD2 4.27Å; P4-F38 HydrophobicContact CB-CE1 3.68Å; P4-F38 HydrophobicContact CB-CE2 4.22Å; P4-F38 HydrophobicContact CB-CG 4.05Å; P4-F38 HydrophobicContact CB-CZ 3.93Å; P4-F38 HydrophobicContact CG-CD1 4.29Å; P4-F38 HydrophobicContact CG-CD2 4.23Å; P4-F38 HydrophobicContact CG-CG 4.1Å; P4-L42 HydrophobicContact CG-CD2 4.29Å
5S87.7Confident86.1Confident51 Ų5177.4 Ų77.436%0.35741%0.409SS..PPolyproline II helixtrans-72.9154.5175.160.70000111.2S7 Q8 L9S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S5-S7 PolarHBondContact OG-OG 3.5Å; S5-Q8 WeakPolarHBondContact O-CB 3.23Å; S5-Q8 PolarHBondContact O-N 3.36Å; S5-Q8 WeakPolarHBondContact OG-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.06Å
6D88.9Confident86.3Confident77 Ų7774.7 Ų74.741%0.41239%0.394SS..Hα-helixtrans-54.9-36.6-178.3-6514.7000112.6L9 L10 K48 M52D6-L9 PolarHBondContact O-N 2.88Å; D6-L10 WeakPolarHBondContact O-CG 3.44Å; D6-L10 PolarHBondContact O-N 3.27Å; D6-K48 WeakPolarHBondContact OD1-CE 3.16Å; D6-K48 IonicContact OD1-NZ 3.94Å; D6-K48 PolarHBondContact OD1-NZ 3.08Å; D6-K48 WeakPolarHBondContact OD2-CE 3.38Å; D6-K48 IonicContact OD2-NZ 3.26Å; D6-K48 PolarHBondContact OD2-NZ 3.28Å; D6-M52 WeakPolarHBondContact O-CE 3.46Å
7S90.5Very high86.4Confident76 Ų7670.4 Ų70.453%0.53137%0.372SS..Hα-helixtrans-65.6-40.5176.557.50000112.6S5 L10 T11S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S5-S7 PolarHBondContact OG-OG 3.5Å; S7-L10 PolarHBondContact O-N 2.85Å; S7-T11 PolarHBondContact O-N 2.81Å; S7-T11 PolarHBondContact O-OG1 2.84Å
8Q91.1Very high86.4Confident101 Ų10173.1 Ų73.147%0.47238%0.382SS..Hα-helixtrans-66-41176.6-69.5178.9-3.100111.4S5 K12 F38S5-Q8 WeakPolarHBondContact O-CB 3.23Å; S5-Q8 PolarHBondContact O-N 3.36Å; S5-Q8 WeakPolarHBondContact OG-CG 3.46Å; Q8-K12 PolarHBondContact O-N 3.44Å; Q8-K12 VanDerWaalsContact O-N 3.13Å; Q8-F38 HydrophobicContact CB-CE1 4.45Å; Q8-F38 HydrophobicContact CB-CZ 4.12Å
9L91.5Very high86.3Confident0 Ų077 Ų770%040%0.403CS..Hα-helixtrans-60.7-49.2174.1-69.2174.9000110.8P4 S5 D6 T11 K12 I13 L34 F38 L42 L49 M52P4-L9 HydrophobicContact CB-CD2 4.1Å; P4-L9 HydrophobicContact CB-CG 4.16Å; P4-L9 HydrophobicContact CG-CD1 4.33Å; P4-L9 HydrophobicContact CG-CD2 3.68Å; P4-L9 HydrophobicContact CG-CG 4.02Å; S5-L9 PolarHBondContact O-N 3.06Å; D6-L9 PolarHBondContact O-N 2.88Å; L9-T11 PolarHBondContact O-N 2.93Å; L9-K12 PolarHBondContact O-N 2.99Å; L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.33Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.49Å; L9-L34 HydrophobicContact CD2-CD1 4.34Å; L9-L34 HydrophobicContact CD2-CD2 4.32Å; L9-F38 HydrophobicContact CD2-CD2 4.24Å; L9-F38 HydrophobicContact CD2-CE2 3.9Å; L9-L42 HydrophobicContact CD2-CD1 4.15Å; L9-L49 HydrophobicContact CD1-CD2 4.08Å; L9-L49 HydrophobicContact CD2-CD2 4.28Å; L9-M52 HydrophobicContact CB-CE 3.78Å
10L91.8Very high86.2Confident71 Ų7174.9 Ų74.937%0.37240%0.397SS..Hα-helixtrans-57.8-50.4177.5-75.5175.2000112.6D6 S7 K12 I13 E14 M52 T56D6-L10 WeakPolarHBondContact O-CG 3.44Å; D6-L10 PolarHBondContact O-N 3.27Å; S7-L10 PolarHBondContact O-N 2.85Å; L10-K12 PolarHBondContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 2.63Å; L10-E14 PolarHBondContact O-N 3.43Å; L10-M52 HydrophobicContact CB-CE 4.31Å; L10-M52 HydrophobicContact CD1-CE 4.32Å; L10-M52 HydrophobicContact CD2-CB 3.84Å; L10-M52 HydrophobicContact CD2-CE 3.44Å; L10-M52 VanDerWaalsContact CD2-CE 3.44Å; L10-M52 HydrophobicContact CD2-CG 3.97Å; L10-M52 HydrophobicContact CG-CE 3.35Å; L10-T56 HydrophobicContact CD2-CG2 4.27Å
11T92.4Very high86.1Confident72 Ų7276.1 Ų76.144%0.44240%0.404SS..Hα-helixtrans-59.6-36.9-178.7-58.80000111.3S7 L9 K15S7-T11 PolarHBondContact O-N 2.81Å; S7-T11 PolarHBondContact O-OG1 2.84Å; L9-T11 PolarHBondContact O-N 2.93Å; T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.31Å
12K90.7Very high87.2Confident56 Ų5671.2 Ų71.224%0.24338%0.381CS..Hα-helixtrans-75.9-39.2178.4-166.667.9-177.3-169.80112.3Q8 L9 L10 E14 K15 I16 L34 H37Q8-K12 PolarHBondContact O-N 3.44Å; Q8-K12 VanDerWaalsContact O-N 3.13Å; L9-K12 PolarHBondContact O-N 2.99Å; L10-K12 PolarHBondContact O-N 3.11Å; K12-E14 VanDerWaalsContact C-N 3.33Å; K12-K15 PolarHBondContact O-N 3.42Å; K12-I16 HydrophobicContact CG-CD1 4.01Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.01Å; K12-L34 HydrophobicContact CB-CD2 3.75Å; K12-L34 HydrophobicContact CG-CD2 3.71Å; K12-H37 VanDerWaalsContact CE-CD2 3.42Å; K12-H37 WeakPolarHBondContact CE-CD2 3.37Å; K12-H37 PolarHBondContact NZ-CD2 3.19Å; K12-H37 PolarHBondContact NZ-NE2 3.39Å; K12-H37 VanDerWaalsContact NZ-NE2 3.18Å
13I92.6Very high87.4Confident0 Ų071 Ų710%037%0.374CS..Hα-helixtrans-57.1-48.7173.3-70163.2000109.8L9 L10 K15 I16 L17 V30 L34 L49 M52 I53 T56L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.33Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.49Å; L10-I13 PolarHBondContact O-N 2.63Å; I13-K15 PolarHBondContact O-N 2.83Å; I13-I16 PolarHBondContact O-N 3.24Å; I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.2Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.21Å; I13-V30 HydrophobicContact CG1-CG1 3.97Å; I13-V30 HydrophobicContact CG2-CG1 4.43Å; I13-L34 HydrophobicContact CD1-CD1 4.2Å; I13-L34 HydrophobicContact CG1-CD1 3.84Å; I13-L34 HydrophobicContact CG1-CD2 4.3Å; I13-L49 HydrophobicContact CD1-CD2 4.16Å; I13-M52 HydrophobicContact CD1-CB 3.95Å; I13-M52 HydrophobicContact CD1-CE 4.39Å; I13-I53 HydrophobicContact CD1-CG1 4.24Å; I13-I53 HydrophobicContact CG1-CG1 4.42Å; I13-I53 HydrophobicContact CG2-CG1 3.93Å; I13-T56 HydrophobicContact CG2-CG2 4.33Å
14E91.2Very high87.6Confident89 Ų8970.5 Ų70.542%0.41638%0.377SS..Hα-helixtrans-59.4-44.8179.8-173.5174.8-172.100111.9L10 K12 I16 L17 Q18L10-E14 PolarHBondContact O-N 3.43Å; K12-E14 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.13Å; E14-L17 PolarHBondContact O-N 2.86Å; E14-Q18 WeakPolarHBondContact O-CG 3.39Å; E14-Q18 PolarHBondContact O-N 2.92Å
15K90.8Very high87.8Confident119 Ų11971.4 Ų71.452%0.51738%0.383SS..Hα-helixtrans-60.9-44.6174.9-73.8-179.8179.2-178.40112.6T11 K12 I13 L17 Q18 D19T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.31Å; K12-K15 PolarHBondContact O-N 3.42Å; I13-K15 PolarHBondContact O-N 2.83Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.2Å; K15-Q18 PolarHBondContact O-N 3.33Å; K15-D19 PolarHBondContact O-N 2.82Å
16I89.6Confident87.8Confident34 Ų3472.9 Ų72.917%0.17439%0.39CS..Hα-helixtrans-63.2-39.7178.2-67.7162.4000110.7K12 I13 E14 A20 A33 L34K12-I16 HydrophobicContact CG-CD1 4.01Å; K12-I16 WeakPolarHBondContact O-CD1 3.3Å; K12-I16 VanDerWaalsContact O-CG1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.01Å; I13-I16 PolarHBondContact O-N 3.24Å; E14-I16 PolarHBondContact O-N 3.13Å; I16-A20 WeakPolarHBondContact O-CB 3.06Å; I16-A20 PolarHBondContact O-N 2.87Å; I16-A33 HydrophobicContact CD1-CB 3.74Å; I16-L34 HydrophobicContact CD1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CG 4.5Å
17L88.8Confident87.8Confident2 Ų270.9 Ų70.91%0.0138%0.382CS..Hα-helixtrans-73.3-24.9179.3-69.1-179.4000113.7I13 E14 K15 V25 V30 T56 L57 L60I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.2Å; I13-L17 WeakPolarHBondContact O-CB 3.2Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.21Å; E14-L17 PolarHBondContact O-N 2.86Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.2Å; L17-V25 HydrophobicContact CD2-CB 4.34Å; L17-V25 HydrophobicContact CD2-CG1 3.67Å; L17-V25 HydrophobicContact CD2-CG2 4.37Å; L17-V30 HydrophobicContact CD2-CG2 4.42Å; L17-T56 WeakPolarHBondContact CD1-OG1 3.46Å; L17-L57 HydrophobicContact CD1-CD2 3.98Å; L17-L57 HydrophobicContact CD1-CG 3.99Å; L17-L57 HydrophobicContact CD2-CD2 3.93Å; L17-L57 HydrophobicContact CD2-CG 4.44Å; L17-L57 HydrophobicContact CG-CD2 4.49Å; L17-L60 HydrophobicContact CB-CD1 3.93Å; L17-L60 HydrophobicContact CD1-CD1 4.2Å
18Q86.2Confident87.8Confident119 Ų11975.1 Ų75.156%0.55639%0.391SS*.Hα-helixtrans-72-41.3173.5-76.1175.59.700112.1E14 K15E14-Q18 WeakPolarHBondContact O-CG 3.39Å; E14-Q18 PolarHBondContact O-N 2.92Å; K15-Q18 PolarHBondContact O-N 3.33Å
19D84.9Confident87.8Confident147 Ų14777.2 Ų77.279%0.78640%0.398SS*.Hα-helixtrans-84.6-25.6-176.8-66.3-30.3000113.3K15K15-D19 PolarHBondContact O-N 2.82Å
20A83.1Confident87.8Confident34 Ų3477.2 Ų77.228%0.28140%0.398SS..SBendtrans-89.5151.6-174.600000113.1I16 L22 V25I16-A20 WeakPolarHBondContact O-CB 3.06Å; I16-A20 PolarHBondContact O-N 2.87Å; A20-L22 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact O-N 3.14Å; A20-V25 HydrophobicContact CB-CG2 3.37Å
21D83.9Confident87.7Confident102 Ų10275 Ų7555%0.54539%0.385SS..  trans-70107.5171.7-178.8-4.2000110.3S23 Q24 V25D21-S23 PolarHBondContact O-N 3.4Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.91Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; D21-S23 PolarHBondContact OD2-OG 3.08Å; D21-Q24 PolarHBondContact O-N 3Å; D21-V25 WeakPolarHBondContact O-CG2 3.38Å; D21-V25 PolarHBondContact O-N 3.37Å; D21-V25 VanDerWaalsContact O-N 3.17Å
22L80.8Confident87.7Confident91 Ų9174.6 Ų74.648%0.47639%0.385SS..THydrogen-bonded Turntrans-53.1-23.7-178.5-75.480.5000113A20 Q24 L57A20-L22 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact O-N 3.14Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-L57 HydrophobicContact CD2-CD2 4.01Å; L22-L57 HydrophobicContact CG-CD2 4.29Å
23S78.3Confident87.7Confident86 Ų8673.7 Ų73.760%0.60139%0.388SS*.THydrogen-bonded Turntrans-73.1-22.5177.374.70000113.8D21D21-S23 PolarHBondContact O-N 3.4Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.91Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; D21-S23 PolarHBondContact OD2-OG 3.08Å
24Q82.6Confident87.6Confident143 Ų14373.7 Ų73.767%0.66839%0.388SS*.THydrogen-bonded Turntrans-110.4-11.4-177.5-59.9-59.8-40.700113.1D21 L22 T26D21-Q24 PolarHBondContact O-N 3Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; Q24-T26 PolarHBondContact O-N 3.23Å
25V86.2Confident87.6Confident30 Ų3071.9 Ų71.918%0.18238%0.38CS..  trans-71118-179.2178.40000110.6L17 A20 D21 V30L17-V25 HydrophobicContact CD2-CB 4.34Å; L17-V25 HydrophobicContact CD2-CG1 3.67Å; L17-V25 HydrophobicContact CD2-CG2 4.37Å; A20-V25 HydrophobicContact CB-CG2 3.37Å; D21-V25 WeakPolarHBondContact O-CG2 3.38Å; D21-V25 PolarHBondContact O-N 3.37Å; D21-V25 VanDerWaalsContact O-N 3.17Å; V25-V30 HydrophobicContact CG1-CG2 3.39Å
26T88.4Confident87.6Confident82 Ų8269.6 Ų69.650%0.50338%0.383SS..  trans-110.8154.3171.160.20000110.3Q24 K28 K29 V30Q24-T26 PolarHBondContact O-N 3.23Å; T26-K28 PolarHBondContact O-N 3.08Å; T26-K28 VanDerWaalsContact O-N 3.08Å; T26-K29 WeakPolarHBondContact O-CB 3.49Å; T26-K29 PolarHBondContact O-N 2.87Å; T26-K29 PolarHBondContact OG1-N 3.37Å; T26-V30 PolarHBondContact O-N 3.32Å; T26-V30 VanDerWaalsContact O-N 3.14Å
27S88.8Confident87.5Confident35 Ų3572.6 Ų72.625%0.24540%0.396CS..Hα-helixtrans-55.5-31.3177.3-43.10000112.8R31S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 3.02Å
28K90Very high87.5Confident164 Ų16474.5 Ų74.571%0.71340%0.404SS*.Hα-helixtrans-65.6-40.7174.6-172177.7-179.4-179.80112.2T26 S32T26-K28 PolarHBondContact O-N 3.08Å; T26-K28 VanDerWaalsContact O-N 3.08Å; K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3Å
29K90.7Very high87.5Confident146 Ų14674.6 Ų74.664%0.63541%0.409SS*.Hα-helixtrans-68.5-42.1179.4-168.665.9175-179.60111.2T26 A33T26-K29 WeakPolarHBondContact O-CB 3.49Å; T26-K29 PolarHBondContact O-N 2.87Å; T26-K29 PolarHBondContact OG1-N 3.37Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.41Å
30V92Very high87.5Confident0 Ų068.8 Ų68.80%038%0.377CS..Hα-helixtrans-64.5-46.1175.5-175.70000110.8I13 L17 V25 T26 S32 A33 L34 I53I13-V30 HydrophobicContact CG1-CG1 3.97Å; I13-V30 HydrophobicContact CG2-CG1 4.43Å; L17-V30 HydrophobicContact CD2-CG2 4.42Å; V25-V30 HydrophobicContact CG1-CG2 3.39Å; T26-V30 PolarHBondContact O-N 3.32Å; T26-V30 VanDerWaalsContact O-N 3.14Å; V30-S32 PolarHBondContact O-N 2.96Å; V30-A33 PolarHBondContact O-N 2.94Å; V30-L34 HydrophobicContact CG1-CD1 4.15Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.14Å; V30-L34 PolarHBondContact O-N 3.44Å; V30-I53 HydrophobicContact CB-CD1 3.61Å; V30-I53 HydrophobicContact CB-CG1 4.27Å; V30-I53 HydrophobicContact CG1-CD1 3.66Å; V30-I53 HydrophobicContact CG1-CG1 3.91Å; V30-I53 HydrophobicContact CG2-CD1 4.09Å; V30-I53 HydrophobicContact CG2-CG1 4.46Å
31R90.8Very high87.8Confident24 Ų2472.2 Ų72.29%0.09139%0.391CS..Hα-helixtrans-58.6-48.2176.8-172.9-179-55.6120.218.4112S27 A33 L34 E35 L42 K46 L49 E50S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 3.02Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.31Å; R31-L34 WeakPolarHBondContact O-CB 3.08Å; R31-L34 PolarHBondContact O-N 3.37Å; R31-L34 VanDerWaalsContact O-N 3.08Å; R31-E35 WeakPolarHBondContact CD-OE1 3.15Å; R31-E35 HydrophobicContact CG-CG 4.28Å; R31-E35 VanDerWaalsContact CG-OE1 3.24Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 3.46Å; R31-L42 HydrophobicContact CG-CB 4.31Å; R31-K46 PolarHBondContact NH2-O 2.97Å; R31-L49 HydrophobicContact CB-CD1 4.39Å; R31-L49 HydrophobicContact CG-CD1 3.93Å; R31-E50 IonicContact NH2-OE1 2.63Å; R31-E50 PolarHBondContact NH2-OE1 3.11Å
32S91.1Very high87.8Confident63 Ų6367.4 Ų67.444%0.44137%0.365SS..Hα-helixtrans-60.1-36.3177.6177.50000112.5K28 V30 A36K28-S32 WeakPolarHBondContact O-CB 3.41Å; K28-S32 PolarHBondContact O-N 3Å; V30-S32 PolarHBondContact O-N 2.96Å; S32-A36 WeakPolarHBondContact O-CB 3.29Å; S32-A36 PolarHBondContact O-N 3.4Å
33A90.4Very high87.9Confident37 Ų3766.4 Ų66.431%0.30637%0.365SS..Hα-helixtrans-70.9-33.9175.300000113I16 K29 V30 R31 H37I16-A33 HydrophobicContact CD1-CB 3.74Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.41Å; V30-A33 PolarHBondContact O-N 2.94Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.31Å; A33-H37 PolarHBondContact O-N 3.19Å
34L91.2Very high88.4Confident0 Ų067.9 Ų67.90%037%0.371CS..Hα-helixtrans-70.3-45.2173.9-67.9169.8000111.5L9 K12 I13 I16 V30 R31 A36 H37 F38 L42 L49L9-L34 HydrophobicContact CD2-CD1 4.34Å; L9-L34 HydrophobicContact CD2-CD2 4.32Å; K12-L34 HydrophobicContact CB-CD2 3.75Å; K12-L34 HydrophobicContact CG-CD2 3.71Å; I13-L34 HydrophobicContact CD1-CD1 4.2Å; I13-L34 HydrophobicContact CG1-CD1 3.84Å; I13-L34 HydrophobicContact CG1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CD2 4.3Å; I16-L34 HydrophobicContact CD1-CG 4.5Å; V30-L34 HydrophobicContact CG1-CD1 4.15Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CG 3.14Å; V30-L34 PolarHBondContact O-N 3.44Å; R31-L34 WeakPolarHBondContact O-CB 3.08Å; R31-L34 PolarHBondContact O-N 3.37Å; R31-L34 VanDerWaalsContact O-N 3.08Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.03Å; L34-H37 PolarHBondContact O-N 3.26Å; L34-H37 VanDerWaalsContact O-N 3.08Å; L34-F38 HydrophobicContact CD2-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.58Å; L34-L42 HydrophobicContact CB-CD1 3.6Å; L34-L49 HydrophobicContact CD1-CD1 4.11Å; L34-L49 HydrophobicContact CD1-CD2 3.65Å; L34-L49 HydrophobicContact CD1-CG 4.49Å
35E91.3Very high88.5Confident52 Ų5263.6 Ų63.624%0.24335%0.351CS..Hα-helixtrans-58.7-42.4176.4-71.1168177.600111R31 H37 N39 I40 L42R31-E35 WeakPolarHBondContact CD-OE1 3.15Å; R31-E35 HydrophobicContact CG-CG 4.28Å; R31-E35 VanDerWaalsContact CG-OE1 3.24Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 3.46Å; E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 PolarHBondContact O-N 2.91Å; E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; E35-L42 HydrophobicContact CG-CB 4.01Å; E35-L42 HydrophobicContact CG-CD1 4.25Å; E35-L42 HydrophobicContact CG-CG 4.31Å; E35-L42 PolarHBondContact OE1-N 3.02Å
36A90.3Very high88.7Confident70 Ų7066.9 Ų66.958%0.57936%0.363SS*.Hα-helixtrans-65.5-30.9175.800000113.4S32 L34S32-A36 WeakPolarHBondContact O-CB 3.29Å; S32-A36 PolarHBondContact O-N 3.4Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.03Å
37H87.8Confident88.8Confident98 Ų9867 Ų6745%0.45437%0.368SS..Hα-helixtrans-81.3-42.4-179-170.9-89.4000112.5K12 A33 L34 E35K12-H37 VanDerWaalsContact CE-CD2 3.42Å; K12-H37 WeakPolarHBondContact CE-CD2 3.37Å; K12-H37 PolarHBondContact NZ-CD2 3.19Å; K12-H37 PolarHBondContact NZ-NE2 3.39Å; K12-H37 VanDerWaalsContact NZ-NE2 3.18Å; A33-H37 PolarHBondContact O-N 3.19Å; L34-H37 PolarHBondContact O-N 3.26Å; L34-H37 VanDerWaalsContact O-N 3.08Å; E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 PolarHBondContact O-N 2.91Å
38F88.5Confident88.9Confident42 Ų4268.8 Ų68.818%0.18437%0.371CS..Hα-helixtrans-90.7-11.8-178.4-67.8-72.1000113P4 Q8 L9 L34 I40P4-F38 HydrophobicContact CB-CD1 3.75Å; P4-F38 HydrophobicContact CB-CD2 4.27Å; P4-F38 HydrophobicContact CB-CE1 3.68Å; P4-F38 HydrophobicContact CB-CE2 4.22Å; P4-F38 HydrophobicContact CB-CG 4.05Å; P4-F38 HydrophobicContact CB-CZ 3.93Å; P4-F38 HydrophobicContact CG-CD1 4.29Å; P4-F38 HydrophobicContact CG-CD2 4.23Å; P4-F38 HydrophobicContact CG-CG 4.1Å; Q8-F38 HydrophobicContact CB-CE1 4.45Å; Q8-F38 HydrophobicContact CB-CZ 4.12Å; L9-F38 HydrophobicContact CD2-CD2 4.24Å; L9-F38 HydrophobicContact CD2-CE2 3.9Å; L34-F38 HydrophobicContact CD2-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.58Å; F38-I40 HydrophobicContact CB-CB 4.48Å; F38-I40 HydrophobicContact CB-CD1 4.3Å; F38-I40 WeakPolarHBondContact O-CG1 3.34Å; F38-I40 PolarHBondContact O-N 2.99Å
39N86.7Confident89Confident121 Ų12161 Ų6165%0.64734%0.337SS*.THydrogen-bonded Turntrans53.334.7-173.6-60.2-64.3000112.6E35E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.87Å
40I84.9Confident89.1Confident24 Ų2456.6 Ų56.612%0.12332%0.318CS..SBendtrans-129.8136.2-178.8-64.3160.8000107.6M1 A2 Y3 E35 F38 L42M1-I40 HydrophobicContact CB-CD1 4.28Å; M1-I40 HydrophobicContact CB-CG1 4.21Å; A2-I40 WeakPolarHBondContact O-CD1 3.41Å; Y3-I40 HydrophobicContact CD1-CG2 4.22Å; Y3-I40 HydrophobicContact CE1-CG2 4.07Å; E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; F38-I40 HydrophobicContact CB-CB 4.48Å; F38-I40 HydrophobicContact CB-CD1 4.3Å; F38-I40 WeakPolarHBondContact O-CG1 3.34Å; F38-I40 PolarHBondContact O-N 2.99Å; I40-L42 PolarHBondContact O-N 3.33Å
41D88.4Confident89.2Confident107 Ų10760.9 Ų60.957%0.57235%0.345SS*.  trans-71117.3174.1-176.610.2000110.2S43D41-S43 WeakPolarHBondContact OD1-CB 3.39Å; D41-S43 PolarHBondContact OD1-N 3.01Å
42L84.3Confident89.3Confident0 Ų060.7 Ų60.70%035%0.345CS..  trans-103.517.5-180-68.4162.4000111.4P4 L9 R31 L34 E35 I40 T44 E45 K46 L49P4-L42 HydrophobicContact CG-CD2 4.29Å; L9-L42 HydrophobicContact CD2-CD1 4.15Å; R31-L42 HydrophobicContact CG-CB 4.31Å; L34-L42 HydrophobicContact CB-CD1 3.6Å; E35-L42 HydrophobicContact CG-CB 4.01Å; E35-L42 HydrophobicContact CG-CD1 4.25Å; E35-L42 HydrophobicContact CG-CG 4.31Å; E35-L42 PolarHBondContact OE1-N 3.02Å; I40-L42 PolarHBondContact O-N 3.33Å; L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 3.12Å; L42-E45 PolarHBondContact O-N 3.49Å; L42-K46 PolarHBondContact O-N 3.34Å; L42-L49 HydrophobicContact CB-CD1 3.83Å; L42-L49 HydrophobicContact CD1-CD1 4.22Å; L42-L49 HydrophobicContact CG-CD1 4.5Å
43S83.3Confident89.3Confident70 Ų7057.9 Ų57.949%0.4933%0.325SS..SBendtrans-59.4-35.9178.8-176.10000112.8D41 K46D41-S43 WeakPolarHBondContact OD1-CB 3.39Å; D41-S43 PolarHBondContact OD1-N 3.01Å; S43-K46 VanDerWaalsContact O-CB 3.28Å; S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 3.18Å
44T87.8Confident89.3Confident117 Ų11762.3 Ų62.372%0.71834%0.341SS*.THydrogen-bonded Turntrans-68-37.2177.851.10000112.9L42 K46L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 3.12Å; T44-K46 VanDerWaalsContact C-N 3.25Å; T44-K46 PolarHBondContact O-N 3.16Å
45E85.3Confident89.3Confident54 Ų5465.8 Ų65.825%0.25237%0.366SS..THydrogen-bonded Turntrans-92.322.4-178.8-60.8-167.3168.800113L42 S47 K48 L49L42-E45 PolarHBondContact O-N 3.49Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 2.83Å; E45-K48 HydrophobicContact CB-CB 4.43Å; E45-K48 PolarHBondContact O-N 3.38Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-L49 PolarHBondContact O-N 3.03Å
46K90Very high89.2Confident98 Ų9864.3 Ų64.343%0.42636%0.36SS..Hα-helixtrans-49.2-48.3-179.5153.4158.7-159.4-159.80113.2R31 L42 S43 T44 L49 E50R31-K46 PolarHBondContact NH2-O 2.97Å; L42-K46 PolarHBondContact O-N 3.34Å; S43-K46 VanDerWaalsContact O-CB 3.28Å; S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 3.18Å; T44-K46 VanDerWaalsContact C-N 3.25Å; T44-K46 PolarHBondContact O-N 3.16Å; K46-L49 PolarHBondContact O-N 3.21Å; K46-E50 WeakPolarHBondContact CE-OE1 3.33Å; K46-E50 WeakPolarHBondContact CG-OE1 2.95Å; K46-E50 IonicContact NZ-OE1 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.29Å; K46-E50 WeakPolarHBondContact O-CG 3.18Å; K46-E50 PolarHBondContact O-N 3.49Å
47S91.9Very high89.1Confident86 Ų8663 Ų6360%0.60134%0.343SS*.Hα-helixtrans-67.9-40.7-177.6-58.60000112E45 E50 T51E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 2.83Å; S47-E50 PolarHBondContact O-N 3.03Å; S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 2.91Å
48K91.3Very high89.2Confident71 Ų7164.4 Ų64.431%0.30935%0.35SS..Hα-helixtrans-61.4-47.8176.4-173.1179.4178.4-176.80110.6D6 E45 E50 T51 M52D6-K48 WeakPolarHBondContact OD1-CE 3.16Å; D6-K48 IonicContact OD1-NZ 3.94Å; D6-K48 PolarHBondContact OD1-NZ 3.08Å; D6-K48 WeakPolarHBondContact OD2-CE 3.38Å; D6-K48 IonicContact OD2-NZ 3.26Å; D6-K48 PolarHBondContact OD2-NZ 3.28Å; E45-K48 HydrophobicContact CB-CB 4.43Å; E45-K48 PolarHBondContact O-N 3.38Å; E45-K48 VanDerWaalsContact O-N 3.16Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3Å; K48-T51 PolarHBondContact O-N 2.99Å; K48-T51 PolarHBondContact O-OG1 3.02Å; K48-M52 HydrophobicContact CG-SD 4Å; K48-M52 VanDerWaalsContact O-CG 3.24Å; K48-M52 WeakPolarHBondContact O-CG 3.27Å; K48-M52 PolarHBondContact O-N 3.46Å
49L91.7Very high89.1Confident1 Ų169.8 Ų69.81%0.00537%0.373CS..Hα-helixtrans-60.2-41.5174.5-69.5178.7000112.5L9 I13 R31 L34 L42 E45 K46 M52 I53L9-L49 HydrophobicContact CD1-CD2 4.08Å; L9-L49 HydrophobicContact CD2-CD2 4.28Å; I13-L49 HydrophobicContact CD1-CD2 4.16Å; R31-L49 HydrophobicContact CB-CD1 4.39Å; R31-L49 HydrophobicContact CG-CD1 3.93Å; L34-L49 HydrophobicContact CD1-CD1 4.11Å; L34-L49 HydrophobicContact CD1-CD2 3.65Å; L34-L49 HydrophobicContact CD1-CG 4.49Å; L42-L49 HydrophobicContact CB-CD1 3.83Å; L42-L49 HydrophobicContact CD1-CD1 4.22Å; L42-L49 HydrophobicContact CG-CD1 4.5Å; E45-L49 PolarHBondContact O-N 3.03Å; K46-L49 PolarHBondContact O-N 3.21Å; L49-M52 HydrophobicContact CD2-SD 4.4Å; L49-M52 PolarHBondContact O-N 3.31Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.46Å; L49-I53 WeakPolarHBondContact O-CG1 3.5Å; L49-I53 PolarHBondContact O-N 3.01Å
50E92.5Very high89Confident53 Ų5366.3 Ų66.325%0.24835%0.354CS..Hα-helixtrans-61.8-43.6177.4-81.2167.4-163.500112.1R31 K46 S47 K48 M52 I53 M54R31-E50 IonicContact NH2-OE1 2.63Å; R31-E50 PolarHBondContact NH2-OE1 3.11Å; K46-E50 WeakPolarHBondContact CE-OE1 3.33Å; K46-E50 WeakPolarHBondContact CG-OE1 2.95Å; K46-E50 IonicContact NZ-OE1 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.29Å; K46-E50 WeakPolarHBondContact O-CG 3.18Å; K46-E50 PolarHBondContact O-N 3.49Å; S47-E50 PolarHBondContact O-N 3.03Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3Å; E50-M52 PolarHBondContact O-N 2.93Å; E50-I53 PolarHBondContact O-N 2.69Å; E50-M54 WeakPolarHBondContact O-CB 3.45Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 2.72Å
51T94.1Very high88.8Confident90 Ų9070.9 Ų70.955%0.55238%0.375SS*.Hα-helixtrans-63-41.317558.40000112.5S47 K48 M54 S55S47-T51 WeakPolarHBondContact O-CG2 3.27Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 2.91Å; K48-T51 PolarHBondContact O-N 2.99Å; K48-T51 PolarHBondContact O-OG1 3.02Å; T51-M54 PolarHBondContact O-N 3.41Å; T51-S55 WeakPolarHBondContact O-CB 3.36Å; T51-S55 PolarHBondContact O-N 3.43Å
52M91.8Very high88.5Confident20 Ų2068.4 Ų68.410%0.09937%0.366CS..Hα-helixtrans-64.7-45.2177.1-66.7163.784.300111.4D6 L9 L10 I13 K48 L49 E50 S55 T56D6-M52 WeakPolarHBondContact O-CE 3.46Å; L9-M52 HydrophobicContact CB-CE 3.78Å; L10-M52 HydrophobicContact CB-CE 4.31Å; L10-M52 HydrophobicContact CD1-CE 4.32Å; L10-M52 HydrophobicContact CD2-CB 3.84Å; L10-M52 HydrophobicContact CD2-CE 3.44Å; L10-M52 VanDerWaalsContact CD2-CE 3.44Å; L10-M52 HydrophobicContact CD2-CG 3.97Å; L10-M52 HydrophobicContact CG-CE 3.35Å; I13-M52 HydrophobicContact CD1-CB 3.95Å; I13-M52 HydrophobicContact CD1-CE 4.39Å; K48-M52 HydrophobicContact CG-SD 4Å; K48-M52 VanDerWaalsContact O-CG 3.24Å; K48-M52 WeakPolarHBondContact O-CG 3.27Å; K48-M52 PolarHBondContact O-N 3.46Å; L49-M52 HydrophobicContact CD2-SD 4.4Å; L49-M52 PolarHBondContact O-N 3.31Å; E50-M52 PolarHBondContact O-N 2.93Å; M52-S55 PolarHBondContact O-N 2.91Å; M52-T56 WeakPolarHBondContact O-CG2 3.42Å; M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.83Å; M52-T56 VanDerWaalsContact O-OG1 3.07Å
53I92.8Very high88Confident4 Ų471.7 Ų71.72%0.02139%0.389CS..Hα-helixtrans-60.9-48.2177.4-67.8160.8000110.3I13 V30 L49 E50 S55 T56 L57I13-I53 HydrophobicContact CD1-CG1 4.24Å; I13-I53 HydrophobicContact CG1-CG1 4.42Å; I13-I53 HydrophobicContact CG2-CG1 3.93Å; V30-I53 HydrophobicContact CB-CD1 3.61Å; V30-I53 HydrophobicContact CB-CG1 4.27Å; V30-I53 HydrophobicContact CG1-CD1 3.66Å; V30-I53 HydrophobicContact CG1-CG1 3.91Å; V30-I53 HydrophobicContact CG2-CD1 4.09Å; V30-I53 HydrophobicContact CG2-CG1 4.46Å; L49-I53 WeakPolarHBondContact O-CB 3.46Å; L49-I53 WeakPolarHBondContact O-CD1 3.46Å; L49-I53 WeakPolarHBondContact O-CG1 3.5Å; L49-I53 PolarHBondContact O-N 3.01Å; E50-I53 PolarHBondContact O-N 2.69Å; I53-S55 PolarHBondContact O-N 3.18Å; I53-T56 WeakPolarHBondContact CA-OG1 3.32Å; I53-T56 PolarHBondContact O-N 3.09Å; I53-T56 PolarHBondContact O-OG1 3.07Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.4Å; I53-L57 WeakPolarHBondContact O-CB 3.41Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.98Å
54M90.2Very high87.2Confident131 Ų13176.7 Ų76.765%0.64540%0.402SS*.Hα-helixtrans-60.2-47.4178.6-75.3179.615400112.1E50 T51 T56 L57 E58E50-M54 WeakPolarHBondContact O-CB 3.45Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 2.72Å; T51-M54 PolarHBondContact O-N 3.41Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 2.75Å; M54-L57 PolarHBondContact O-N 3.08Å; M54-E58 PolarHBondContact O-N 2.75Å
55S91Very high85.9Confident73 Ų7375 Ų7551%0.5140%0.395SS..Hα-helixtrans-61.1-41.4177.5-178.20000112.2T51 M52 I53 E58 K59T51-S55 WeakPolarHBondContact O-CB 3.36Å; T51-S55 PolarHBondContact O-N 3.43Å; M52-S55 PolarHBondContact O-N 2.91Å; I53-S55 PolarHBondContact O-N 3.18Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-K59 WeakPolarHBondContact O-CB 3.43Å; S55-K59 PolarHBondContact O-N 3.02Å
56T89.1Confident84.4Confident20 Ų2079.3 Ų79.312%0.12342%0.415CS..Hα-helixtrans-66.7-38.3176.254.40000112.9L10 I13 L17 M52 I53 M54 K59 L60L10-T56 HydrophobicContact CD2-CG2 4.27Å; I13-T56 HydrophobicContact CG2-CG2 4.33Å; L17-T56 WeakPolarHBondContact CD1-OG1 3.46Å; M52-T56 WeakPolarHBondContact O-CG2 3.42Å; M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.83Å; M52-T56 VanDerWaalsContact O-OG1 3.07Å; I53-T56 WeakPolarHBondContact CA-OG1 3.32Å; I53-T56 PolarHBondContact O-N 3.09Å; I53-T56 PolarHBondContact O-OG1 3.07Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 2.75Å; T56-K59 PolarHBondContact O-N 3.32Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 WeakPolarHBondContact O-CD1 3.43Å; T56-L60 WeakPolarHBondContact O-CG 3.25Å; T56-L60 PolarHBondContact O-N 3.18Å
57L88.7Confident82.7Confident42 Ų4281.6 Ų81.622%0.2243%0.432CS..Hα-helixtrans-66.1-43175.8-76.2172.9000111.7L17 L22 I53 M54 K59 L60 Q61L17-L57 HydrophobicContact CD1-CD2 3.98Å; L17-L57 HydrophobicContact CD1-CG 3.99Å; L17-L57 HydrophobicContact CD2-CD2 3.93Å; L17-L57 HydrophobicContact CD2-CG 4.44Å; L17-L57 HydrophobicContact CG-CD2 4.49Å; L22-L57 HydrophobicContact CD2-CD2 4.01Å; L22-L57 HydrophobicContact CG-CD2 4.29Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.4Å; I53-L57 WeakPolarHBondContact O-CB 3.41Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.98Å; M54-L57 PolarHBondContact O-N 3.08Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3Å; L57-L60 PolarHBondContact O-N 2.8Å; L57-Q61 WeakPolarHBondContact O-CB 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-N 3.19Å
58E88.5Confident80.7Confident128 Ų12888 Ų8860%0.59844%0.443SS*.Hα-helixtrans-61.9-42.1175.3-175.9176.5-167.200111.4M54 S55 L60 Q61 S62M54-E58 PolarHBondContact O-N 2.75Å; S55-E58 PolarHBondContact O-N 2.93Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-Q61 PolarHBondContact O-N 3.2Å; E58-S62 VanDerWaalsContact O-CB 3.24Å; E58-S62 WeakPolarHBondContact O-CB 3.22Å; E58-S62 PolarHBondContact O-N 2.98Å; E58-S62 PolarHBondContact O-OG 2.9Å
59K87.5Confident78.9Confident155 Ų15590.8 Ų90.867%0.67446%0.461SS*.Hα-helixtrans-63.4-39.4175.2-168.2176.6-178.7-176.40112.3S55 T56 L57 S63S55-K59 WeakPolarHBondContact O-CB 3.43Å; S55-K59 PolarHBondContact O-N 3.02Å; T56-K59 PolarHBondContact O-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3Å; K59-S63 WeakPolarHBondContact O-CB 3.35Å; K59-S63 PolarHBondContact O-N 3.18Å; K59-S63 PolarHBondContact O-OG 3.41Å
60L83.2Confident76.8Confident48 Ų4898.1 Ų98.125%0.25150%0.501SS..Hα-helixtrans-69.4-36.7175.5-78.5160.3000112.7L17 T56 L57 E58 S63 K64L17-L60 HydrophobicContact CB-CD1 3.93Å; L17-L60 HydrophobicContact CD1-CD1 4.2Å; T56-L60 WeakPolarHBondContact O-CB 3.36Å; T56-L60 WeakPolarHBondContact O-CD1 3.43Å; T56-L60 WeakPolarHBondContact O-CG 3.25Å; T56-L60 PolarHBondContact O-N 3.18Å; L57-L60 PolarHBondContact O-N 2.8Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-S63 PolarHBondContact O-OG 3.15Å; L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 3.25Å
61Q82.4Confident74.6Confident120 Ų120100.8 Ų100.856%0.56153%0.525SS*.Hα-helixtrans-73-39.2176-73.8-178.2-11.200112.1L57 E58 K64 S65L57-Q61 WeakPolarHBondContact O-CB 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.37Å; L57-Q61 PolarHBondContact O-N 3.19Å; E58-Q61 PolarHBondContact O-N 3.2Å; Q61-K64 PolarHBondContact O-N 2.76Å; Q61-S65 PolarHBondContact O-N 3Å; Q61-S65 VanDerWaalsContact O-N 3.07Å; Q61-S65 PolarHBondContact O-OG 2.99Å
62S81.9Confident72.1Confident55 Ų55105.4 Ų105.439%0.38554%0.537SS..Hα-helixtrans-66.2-43.8177.1-630000111.3E58 K64 S65 Q66E58-S62 VanDerWaalsContact O-CB 3.24Å; E58-S62 WeakPolarHBondContact O-CB 3.22Å; E58-S62 PolarHBondContact O-N 2.98Å; E58-S62 PolarHBondContact O-OG 2.9Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.08Å; S62-S65 PolarHBondContact O-N 2.8Å; S62-S65 VanDerWaalsContact O-N 3.15Å; S62-Q66 WeakPolarHBondContact O-CB 3.35Å; S62-Q66 WeakPolarHBondContact O-CG 3.3Å; S62-Q66 PolarHBondContact O-N 2.87Å
63S72.6Confident69.9Low70 Ų70111.7 Ų111.749%0.4957%0.571SS.*Hα-helixtrans-63.3-35.617663.10000112.3K59 L60 S65 N67K59-S63 WeakPolarHBondContact O-CB 3.35Å; K59-S63 PolarHBondContact O-N 3.18Å; K59-S63 PolarHBondContact O-OG 3.41Å; L60-S63 PolarHBondContact O-OG 3.15Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.77Å; S63-N67 PolarHBondContact O-N 2.93Å
64K68Low67.5Low175 Ų175116.2 Ų116.276%0.76160%0.603SS**Hα-helixtrans-67.5-32.5174.8-162.2166.4-171.6169.50113.1L60 Q61 S62L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 3.25Å; Q61-K64 PolarHBondContact O-N 2.76Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.08Å
65S58.9Low65.5Low81 Ų81115.4 Ų115.457%0.56661%0.61SS**Hα-helixtrans-83.4-33.7177.6-59.40000112.9Q61 S62 S63 N67 R68Q61-S65 PolarHBondContact O-N 3Å; Q61-S65 VanDerWaalsContact O-N 3.07Å; Q61-S65 PolarHBondContact O-OG 2.99Å; S62-S65 PolarHBondContact O-N 2.8Å; S62-S65 VanDerWaalsContact O-N 3.15Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.77Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.23Å; S65-R68 PolarHBondContact O-N 2.97Å
66Q55.3Low63.4Low144 Ų144117.8 Ų117.867%0.67363%0.626SS**Hα-helixtrans-73.8-21.8-179.6-73.5-158.3-16.700113.8S62 R68 N69S62-Q66 WeakPolarHBondContact O-CB 3.35Å; S62-Q66 WeakPolarHBondContact O-CG 3.3Å; S62-Q66 PolarHBondContact O-N 2.87Å; Q66-R68 PolarHBondContact O-N 3.16Å; Q66-R68 VanDerWaalsContact O-N 3.1Å; Q66-N69 PolarHBondContact O-N 3.25Å
67N52.8Low61.2Low146 Ų146121.9 Ų121.978%0.78165%0.654SS**THydrogen-bonded Turntrans-71.51.3173.4-154.428.1000114.3S63 S65S63-N67 PolarHBondContact O-N 2.93Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.23Å
68R49.9Very low59.1Low222 Ų222128.3 Ų128.384%0.83868%0.683SS**THydrogen-bonded Turntrans-106.3-15.9171.5-79.8-174.6170.6178.8-2.6114.8S65 Q66S65-R68 PolarHBondContact O-N 2.97Å; Q66-R68 PolarHBondContact O-N 3.16Å; Q66-R68 VanDerWaalsContact O-N 3.1Å
69N53.5Low57.3Low129 Ų129128 Ų12869%0.6969%0.689SS**THydrogen-bonded Turntrans-119.76.2-170.4-73.3-2.7000114.7Q66 S71Q66-N69 PolarHBondContact O-N 3.25Å; N69-S71 PolarHBondContact O-N 3.49Å
70N48.7Very low55.4Low155 Ų155127.2 Ų127.283%0.82969%0.692SS**THydrogen-bonded Turntrans-81.731.8-175.8-156.123.8000115
71S45.6Very low53.5Low109 Ų109132.9 Ų132.976%0.76272%0.718SS**THydrogen-bonded Turntrans-112.512.6173.260.10000114N69N69-S71 PolarHBondContact O-N 3.49Å
72K42.9Very low51.1Low186 Ų186131.7 Ų131.781%0.80972%0.721SS**SBendtrans-144.291.5175.4-134.9169.1-174.7176.40113
73L45.1Very low49Very low152 Ų152134.3 Ų134.380%0.79674%0.735SS**  trans29.9109.1135.1-83.375.3000116.3
74S42.4Very low47.4Very low99 Ų99139 Ų13969%0.69275%0.749SS**  74.694.576.173.60000114.6
75S47.7Very low46.4Very low115 Ų115136.6 Ų136.680%0.80475%0.754SS**  trans160.189.4151.650.60000107.9
76S45.9Very low45.5Very low122 Ų122140 Ų14085%0.85377%0.766SS**  49.213699.5-106.70000116.8
77P44.1Very low45Very low107 Ų107138.6 Ų138.670%0.69577%0.773SS**  trans-82.6175.7-157.538.9-35.7000111.9
78E44.8Very low44.4Very low177 Ų177136.7 Ų136.783%0.82777%0.77SS**  176.4127.3128.6-53.9-146.2121.900110.8
79V49.5Very low44.3Very low121 Ų121131.3 Ų131.373%0.73377%0.767SS**  trans58151141.6-53.20000126.2
80D48.9Very low43.7Very low139 Ų139131.7 Ų131.774%0.74377%0.769SS**  trans84.3102.8157.9-58.6-55.3000118.8
81E43.3Very low43.7Very low167 Ų167129.6 Ų129.678%0.7877%0.767SS**  90.7127.170.9-152.3-172.97500112.8
82C31.2Very low43.9Very low94 Ų94132.7 Ų132.764%0.63577%0.769SS**  trans45131.7155.965.60000118.5
83T37.3Very low44Very low110 Ų110128.8 Ų128.868%0.67576%0.763SS**  -179.1132.861.1-51.50000108.9
84E40.4Very low44Very low169 Ų169130.5 Ų130.579%0.7977%0.767SS**  trans0.9126.6142.8-17-81.890.700117.2
85S46Very low44.1Very low124 Ų124135.5 Ų135.587%0.86778%0.776SS**  trans-153.1103.4145.8-770000109.9
86D39.8Very low43.9Very low152 Ų152135.3 Ų135.381%0.81377%0.772SS**  trans-50.8130163.4-174.4-97.3000111.9
87S44.3Very low44Very low116 Ų116136.1 Ų136.181%0.81177%0.771SS**  trans-157.393.3152.9-144.30000111
88S41.2Very low43.7Very low105 Ų105139.8 Ų139.873%0.73478%0.776SS**  trans-63.8129.5160.3-172.20000109.7
89S46.9Very low43.2Very low109 Ų109140.5 Ų140.576%0.76278%0.776SS**  trans-143.689.9157-161.70000110.5
90D41Very low42.7Very low138 Ų138144.5 Ų144.574%0.73878%0.784SS**  trans-47.2133147.2-177.565.6000111.1
91S49.6Very low42.4Very low111 Ų111148.3 Ų148.378%0.77679%0.794SS**  trans-164.399.8162.1-800000109.8
92E49.3Very low42.7Very low174 Ų174149.6 Ų149.681%0.81380%0.797SS**  trans-69.7177.1163.2-123.5-158.599.700111.3
93P45.4Very low43.5Very low104 Ų104154.9 Ų154.968%0.67581%0.809SS**  -116136.5-120.832.8-14.1000114.7
94E45.9Very low44.2Very low188 Ų188152.6 Ų152.688%0.87980%0.795SS**  trans-97.6115.6170.8-76-96.4120.200110.8
95K44.1Very low45.1Very low204 Ų204148 Ų14889%0.88778%0.782SS**  trans-61.2144.9166.4-71.5172.5178.41690109.9
96P43.1Very low46.5Very low111 Ų111149.4 Ų149.472%0.72178%0.78SS**  trans-133.5130.6137.618.33.2000114.6
97V48.5Very low48.4Very low139 Ų139148.1 Ų148.184%0.84277%0.773SS**  78.4114.3127.6-171.60000120
98K37.5Very low50Low183 Ų183147.6 Ų147.680%0.79676%0.758SS**  trans-47.3147.1163.1-66166.2176.4169.30114.4
99K34Very low51.7Low192 Ų192146.1 Ų146.184%0.83574%0.741SS**  trans75.1108.2151.2-64.2164.1-178.6-177.60117.7
100K39.9Very low53.5Low206 Ų206147.8 Ų147.890%0.89673%0.732SS**  -170.4120.7116.4-99.5164.8-174.7-179.30109.6K102K100-K102 PolarHBondContact O-N 3.4Å
101K41.3Very low55.7Low219 Ų219144 Ų14495%0.95272%0.72SS**  trans-58.598.8170.2-73.5177.3174.91780107.9
102K49.5Very low57.3Low193 Ų193145.2 Ų145.284%0.83971%0.707SS**  trans-80.9117.8168.3-156.1173.5-176.2-177.80106K100 T104K100-K102 PolarHBondContact O-N 3.4Å; K102-T104 PolarHBondContact O-N 3.27Å
103K49.2Very low58.9Low205 Ų205139.6 Ų139.689%0.89169%0.687SS**  trans-52.4103.4172.7-173.6173.7-179.6179.30106.6S105K103-S105 PolarHBondContact O-N 2.93Å
104T51.5Low60.8Low62 Ų62138.6 Ų138.638%0.3868%0.676SS.*  trans-59.4129.6173.944.50000106.4K102 D109K102-T104 PolarHBondContact O-N 3.27Å; T104-D109 WeakPolarHBondContact CB-OD2 3.43Å; T104-D109 PolarHBondContact OG1-OD2 2.89Å
105S60.3Low62.6Low73 Ų73135.6 Ų135.651%0.5166%0.662SS.*  trans-63.9148.6168.253.60000107.7K103 D107 E108K103-S105 PolarHBondContact O-N 2.93Å; S105-D107 PolarHBondContact O-N 3.36Å; S105-E108 PolarHBondContact O-N 3.47Å
106D74.6Confident64.4Low154 Ų154127.4 Ų127.482%0.82463%0.632SS**Hα-helixtrans-48.9-29.9176.4-85.6-50.7000112.5Y110D106-Y110 VanDerWaalsContact O-CB 3.32Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 2.95Å
107D80.5Confident66.1Low124 Ų124129.2 Ų129.266%0.66363%0.631SS**Hα-helixtrans-64.2-40.3177.7-107.8-0.1000114.8S105 Y110 A111S105-D107 PolarHBondContact O-N 3.36Å; D107-Y110 PolarHBondContact O-N 3.35Å; D107-A111 WeakPolarHBondContact O-CB 3.28Å; D107-A111 PolarHBondContact O-N 3.45Å
108E77.4Confident67.6Low106 Ų106126.7 Ų126.750%0.49562%0.624SS.*Hα-helixtrans-69-38.8-178.4-106.7-166.7-16600111.5S105 R112S105-E108 PolarHBondContact O-N 3.47Å; E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact O-N 3.11Å; E108-R112 IonicContact OE2-NH2 2.93Å; E108-R112 PolarHBondContact OE2-NH2 3.26Å
109D77Confident69.7Low74 Ų74122 Ų12240%0.39661%0.608SS.*Hα-helixtrans-73.8-33.5177.5-83.6-52.3000111.6T104 R112 S113T104-D109 WeakPolarHBondContact CB-OD2 3.43Å; T104-D109 PolarHBondContact OG1-OD2 2.89Å; D109-R112 PolarHBondContact O-N 2.69Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NH1 2.87Å; D109-R112 PolarHBondContact OD1-NH1 3.48Å; D109-S113 PolarHBondContact O-N 2.96Å
110Y84Confident71.5Confident144 Ų144115.5 Ų115.557%0.56560%0.595SS**Hα-helixtrans-65.7-43.7171.8-175.8-106.8000112.7D106 D107 R112 S113 L114D106-Y110 VanDerWaalsContact O-CB 3.32Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 2.95Å; D107-Y110 PolarHBondContact O-N 3.35Å; Y110-R112 VanDerWaalsContact C-N 3.29Å; Y110-R112 PolarHBondContact O-N 3.43Å; Y110-S113 PolarHBondContact O-N 3.39Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; Y110-S113 PolarHBondContact O-OG 2.94Å; Y110-L114 HydrophobicContact CD1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD1 3.59Å; Y110-L114 HydrophobicContact CE1-CG 4.22Å; Y110-L114 PolarHBondContact O-N 2.89Å
111A87.3Confident72.7Confident58 Ų58111.3 Ų111.348%0.47958%0.581SS.*Hα-helixtrans-60.7-41.117400000111.6D107 S113 L114 H115D107-A111 WeakPolarHBondContact O-CB 3.28Å; D107-A111 PolarHBondContact O-N 3.45Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.49Å; A111-L114 PolarHBondContact O-N 3.3Å; A111-H115 PolarHBondContact O-N 3.01Å; A111-H115 VanDerWaalsContact O-N 3.11Å
112R84Confident73.7Confident136 Ų136111.9 Ų111.951%0.51358%0.577SS.*Hα-helixtrans-65-35.3176.2-131175.1-78.3145.5-8.2112E108 D109 Y110 A116E108-R112 WeakPolarHBondContact O-CB 3.4Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 VanDerWaalsContact O-N 3.11Å; E108-R112 IonicContact OE2-NH2 2.93Å; E108-R112 PolarHBondContact OE2-NH2 3.26Å; D109-R112 PolarHBondContact O-N 2.69Å; D109-R112 IonicContact OD1-CZ 3.88Å; D109-R112 IonicContact OD1-NH1 2.87Å; D109-R112 PolarHBondContact OD1-NH1 3.48Å; Y110-R112 VanDerWaalsContact C-N 3.29Å; Y110-R112 PolarHBondContact O-N 3.43Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.13Å
113S81.3Confident74.1Confident57 Ų57114.1 Ų114.140%0.39958%0.58SS.*Hα-helixtrans-70.9-44.3177.3720000112.4D109 Y110 A111 H115 A116 E117D109-S113 PolarHBondContact O-N 2.96Å; Y110-S113 PolarHBondContact O-N 3.39Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; Y110-S113 PolarHBondContact O-OG 2.94Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.49Å; S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 3.07Å; S113-A116 PolarHBondContact O-N 3.08Å; S113-E117 WeakPolarHBondContact O-CB 2.81Å; S113-E117 PolarHBondContact O-N 3.33Å
114L85.3Confident74.7Confident82 Ų82116 Ų11643%0.42958%0.581SS.*Hα-helixtrans-60.6-42.2176.2-80-179.4000112Y110 A111 A116 E117 A118Y110-L114 HydrophobicContact CD1-CD1 4.23Å; Y110-L114 HydrophobicContact CE1-CD1 3.59Å; Y110-L114 HydrophobicContact CE1-CG 4.22Å; Y110-L114 PolarHBondContact O-N 2.89Å; A111-L114 PolarHBondContact O-N 3.3Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.95Å; L114-E117 PolarHBondContact O-N 2.85Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.95Å
115H85Confident74.9Confident126 Ų126118.3 Ų118.358%0.58360%0.6SS**Hα-helixtrans-65.9-35.5177.1-171.9-108.7000112.7A111 S113 N119A111-H115 PolarHBondContact O-N 3.01Å; A111-H115 VanDerWaalsContact O-N 3.11Å; S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 3.07Å; H115-N119 PolarHBondContact CE1-ND2 3.39Å; H115-N119 PolarHBondContact NE2-ND2 3.25Å; H115-N119 VanDerWaalsContact NE2-ND2 3.16Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.63Å; H115-N119 PolarHBondContact O-ND2 2.89Å
116A81Confident74.5Confident31 Ų31121 Ų12126%0.25662%0.618SS.*Hα-helixtrans-69.3-37.3174.900000112.1R112 S113 L114 G120 M121R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.13Å; S113-A116 PolarHBondContact O-N 3.08Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.95Å; A116-G120 PolarHBondContact O-N 3.25Å; A116-M121 HydrophobicContact CB-CB 4.14Å; A116-M121 WeakPolarHBondContact O-CA 3Å; A116-M121 WeakPolarHBondContact O-CB 3.24Å; A116-M121 PolarHBondContact O-N 3.15Å
117E78.3Confident73.3Confident149 Ų149118.3 Ų118.370%0.69661%0.612SS**Hα-helixtrans-69-44.5177.1-170158.1-150.500111.8S113 L114 N119 G120S113-E117 WeakPolarHBondContact O-CB 2.81Å; S113-E117 PolarHBondContact O-N 3.33Å; L114-E117 PolarHBondContact O-N 2.85Å; E117-N119 VanDerWaalsContact C-N 3.33Å; E117-N119 PolarHBondContact O-N 3.08Å; E117-G120 PolarHBondContact O-N 3.36Å; E117-G120 VanDerWaalsContact O-N 3.17Å
118A81.2Confident72.1Confident86 Ų86117.3 Ų117.371%0.71161%0.614SS**Hα-helixtrans-61.6-37.1176.500000113.2L114 G120L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.95Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.41Å
119N81.7Confident70.6Confident86 Ų86119.3 Ų119.346%0.4663%0.634SS.*THydrogen-bonded Turntrans-85.34.6179.3-71-31.2000113.9H115 E117 M121H115-N119 PolarHBondContact CE1-ND2 3.39Å; H115-N119 PolarHBondContact NE2-ND2 3.25Å; H115-N119 VanDerWaalsContact NE2-ND2 3.16Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.63Å; H115-N119 PolarHBondContact O-ND2 2.89Å; E117-N119 VanDerWaalsContact C-N 3.33Å; E117-N119 PolarHBondContact O-N 3.08Å; N119-M121 HydrophobicContact CB-CE 3.62Å; N119-M121 HydrophobicContact CB-SD 3.44Å; N119-M121 WeakPolarHBondContact CB-SD 3.04Å; N119-M121 PolarHBondContact O-N 2.87Å
120G71.7Confident69.6Low55 Ų55124.5 Ų124.557%0.56765%0.653SS**THydrogen-bonded Turntrans71.116.5-179.400000114.1A116 E117 A118 R122A116-G120 PolarHBondContact O-N 3.25Å; E117-G120 PolarHBondContact O-N 3.36Å; E117-G120 VanDerWaalsContact O-N 3.17Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.41Å; G120-R122 PolarHBondContact O-N 3.38Å
121M63.9Low68Low118 Ų118123.8 Ų123.858%0.58167%0.666SS**  trans-76.961.5173.3-79.658.4146.100109.4A116 N119 R123A116-M121 HydrophobicContact CB-CB 4.14Å; A116-M121 WeakPolarHBondContact O-CA 3Å; A116-M121 WeakPolarHBondContact O-CB 3.24Å; A116-M121 PolarHBondContact O-N 3.15Å; N119-M121 HydrophobicContact CB-CE 3.62Å; N119-M121 HydrophobicContact CB-SD 3.44Å; N119-M121 WeakPolarHBondContact CB-SD 3.04Å; N119-M121 PolarHBondContact O-N 2.87Å; M121-R123 PolarHBondContact O-N 2.94Å; M121-R123 VanDerWaalsContact O-N 3.08Å
122R62.2Low66.3Low230 Ų230132.7 Ų132.787%0.86869%0.687SS**  trans-59.3117.3170-63-17983.7-174.76.3107.7G120 R124G120-R122 PolarHBondContact O-N 3.38Å; R122-R124 PolarHBondContact O-N 3.47Å
123R59.8Low64.9Low241 Ų241130.9 Ų130.991%0.90970%0.695SS**  trans-56.7104.3174-64179.297.4164.25.9107.4M121 S125M121-R123 PolarHBondContact O-N 2.94Å; M121-R123 VanDerWaalsContact O-N 3.08Å; R123-S125 PolarHBondContact O-N 3Å; R123-S125 VanDerWaalsContact O-N 3.15Å
124R60Low63.8Low245 Ų245136.5 Ų136.593%0.92572%0.715SS**  trans-52.6123.4167.5-90.8-179.3173.3154.1-1.3107.2R122 S126R122-R124 PolarHBondContact O-N 3.47Å; R124-S126 PolarHBondContact O-N 2.92Å
125S57.4Low62Low109 Ų109142.1 Ų142.176%0.76274%0.736SS**  trans-52.1127.4179.559.80000109.4R123 S127R123-S125 PolarHBondContact O-N 3Å; R123-S125 VanDerWaalsContact O-N 3.15Å; S125-S127 PolarHBondContact O-N 3.26Å
126S50.2Low60.4Low129 Ų129142.8 Ų142.890%0.90274%0.74SS**  trans-72.879.1173.652.10000108.8R124R124-S126 PolarHBondContact O-N 2.92Å
127S49.1Very low59Low98 Ų98147.7 Ų147.769%0.68577%0.769SS**  trans-109.8133.2159.6175.10000107.3S125S125-S127 PolarHBondContact O-N 3.26Å
128S55.4Low58Low103 Ų103143.5 Ų143.572%0.7277%0.765SS**  trans87.185-171.676.40000116.2K130S128-K130 PolarHBondContact O-N 3.11Å
129T45.9Very low56.3Low148 Ų148145 Ų14591%0.90877%0.771SS**  trans-38.295.6142.733.40000112.1
130K57.6Low54.8Low183 Ų183143.2 Ų143.280%0.79677%0.773SS**  trans-131.2130.8151.9-81.1-174.9178175.60108.2S128 R132S128-K130 PolarHBondContact O-N 3.11Å; K130-R132 PolarHBondContact O-N 2.75Å; K130-R132 VanDerWaalsContact O-N 3.08Å
131P49.8Very low54Low129 Ų129149.4 Ų149.484%0.83878%0.784SS**  trans-59.1121.1178.126-31.9000107.2S133P131-S133 PolarHBondContact O-N 3.27Å
132R52.4Low54Low246 Ų246147.4 Ų147.493%0.92878%0.779SS**  trans-66.187.8174.9-163.8172.3175.2174.3-2.8105.9K130 Q134K130-R132 PolarHBondContact O-N 2.75Å; K130-R132 VanDerWaalsContact O-N 3.08Å; R132-Q134 PolarHBondContact O-N 3.14Å; R132-Q134 VanDerWaalsContact O-N 3.15Å
133S53.3Low54.2Low97 Ų97138.8 Ų138.868%0.67876%0.762SS**  trans-48.7125.9174.365.10000106.4P131 K135P131-S133 PolarHBondContact O-N 3.27Å; S133-K135 PolarHBondContact O-N 3.42Å
134Q57.9Low54.6Low175 Ų175134.7 Ų134.782%0.81875%0.751SS**  trans-43.8116.3170.6-71.5176.6-20.800107R132 Q136R132-Q134 PolarHBondContact O-N 3.14Å; R132-Q134 VanDerWaalsContact O-N 3.15Å; Q134-Q136 VanDerWaalsContact C-N 3.26Å; Q134-Q136 PolarHBondContact O-N 2.94Å
135K47.6Very low55.2Low200 Ų200126.7 Ų126.787%0.8773%0.729SS**  trans-57.9101.7174-89.3-177173.1-176.80105.3S133 P137S133-K135 PolarHBondContact O-N 3.42Å; K135-P137 WeakPolarHBondContact O-CD 3.35Å
136Q52.2Low56.1Low141 Ų141129.2 Ų129.266%0.65972%0.722SS**  trans-50.7122.1165.4-71.5-72.6-10.400106Q134 G138 S139Q134-Q136 VanDerWaalsContact C-N 3.26Å; Q134-Q136 PolarHBondContact O-N 2.94Å; Q136-G138 PolarHBondContact O-N 3.07Å; Q136-S139 PolarHBondContact O-N 2.78Å
137P52.2Low57.5Low134 Ų134127.5 Ų127.587%0.8771%0.708SS**THydrogen-bonded Turntrans-6881.5172.129.3-31.6000107K135K135-P137 WeakPolarHBondContact O-CD 3.35Å
138G55.8Low59Low60 Ų60124.4 Ų124.462%0.61968%0.683SS**THydrogen-bonded Turntrans166.6-19.3-172.300000115.8Q136 G140Q136-G138 PolarHBondContact O-N 3.07Å; G138-G140 PolarHBondContact O-N 2.96Å
139S46.4Very low60.4Low118 Ų118122.5 Ų122.583%0.82567%0.667SS**SBendtrans-86.663.41781800000111.5Q136Q136-S139 PolarHBondContact O-N 2.78Å
140G50.7Low62.4Low49 Ų49115.9 Ų115.951%0.50563%0.627SS.*  trans-17949.4-18000000111.1G138 T142G138-G140 PolarHBondContact O-N 2.96Å; G140-T142 PolarHBondContact O-N 3.42Å; G140-T142 PolarHBondContact O-OG1 3.31Å
141K54.9Low63.7Low184 Ų184108.2 Ų108.280%0.860%0.596SS**  trans-67.364.1158.8-83170.9177.3178.70108.3
142T63.1Low65.4Low77 Ų77108.8 Ų108.847%0.47259%0.592SS.*  trans-56.5137168.1-45.80000105.9G140 F144 T145G140-T142 PolarHBondContact O-N 3.42Å; G140-T142 PolarHBondContact O-OG1 3.31Å; T142-F144 HydrophobicContact CG2-CD2 3.27Å; T142-F144 HydrophobicContact CG2-CE2 3.48Å; T142-F144 VanDerWaalsContact CG2-CE2 3.48Å; T142-F144 HydrophobicContact CG2-CG 4.35Å; T142-F144 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-N 3.5Å; T142-T145 PolarHBondContact O-OG1 2.86Å
143G66.4Low66.9Low49 Ų49102.5 Ų102.551%0.50557%0.573SS.*G310 helixtrans-52.3-11.4-172.900000115.7
144F67.7Low68.4Low154 Ų15498 Ų9868%0.67554%0.541SS*.G310 helixtrans-69.8-28174.9-52.9-59.5000115.4T142T142-F144 HydrophobicContact CG2-CD2 3.27Å; T142-F144 HydrophobicContact CG2-CE2 3.48Å; T142-F144 VanDerWaalsContact CG2-CE2 3.48Å; T142-F144 HydrophobicContact CG2-CG 4.35Å; T142-F144 PolarHBondContact O-N 3.42Å
145T73.7Confident69.8Low78 Ų7890.3 Ų90.348%0.47951%0.508SS..G310 helixtrans-10211.1-179.157.10000113.4T142T142-T145 PolarHBondContact O-N 3.5Å; T142-T145 PolarHBondContact O-OG1 2.86Å
146R74.9Confident71.7Confident161 Ų16189 Ų8961%0.60851%0.505SS*.SBendtrans-64.5132.1174.3-69.7-177.2175.6-150.1-0.7108.9L148R146-L148 PolarHBondContact O-N 3.23Å
147P79.5Confident73.3Confident93 Ų9385 Ų8560%0.60448%0.484SS*.EExtended strand (participates in β ladder)trans-62.2130.1168.827.9-32.3000107.4
148L81.8Confident74.9Confident33 Ų3380 Ų8017%0.17345%0.45CS..EExtended strand (participates in β ladder)trans-118.2138.8177.6-59.8137.1000107.8R146 E162 L163 R165 I218R146-L148 PolarHBondContact O-N 3.23Å; L148-E162 WeakPolarHBondContact O-CA 3.41Å; L148-L163 PolarHBondContact N-O 2.93Å; L148-L163 PolarHBondContact O-N 2.92Å; L148-R165 HydrophobicContact CD1-CB 3.94Å; L148-I218 HydrophobicContact CB-CG2 3.49Å; L148-I218 VanDerWaalsContact CB-CG2 3.49Å; L148-I218 HydrophobicContact CD1-CG2 3.88Å; L148-I218 HydrophobicContact CD2-CG2 3.76Å; L148-I218 HydrophobicContact CG-CG2 3.89Å
149T85.1Confident76.4Confident63 Ų6380.3 Ų80.339%0.38745%0.453SS..EExtended strand (participates in β ladder)trans-70.3134.4173.342.70000109.6E162 I219T149-E162 HydrophobicContact CG2-CG 3.95Å; T149-I219 PolarHBondContact N-O 3.16Å; T149-I219 CarbonylContact O-C 3.57Å; T149-I219 PolarHBondContact O-N 3.16Å; T149-I219 PolarHBondContact OG1-O 3.33Å
150L86.5Confident78.2Confident10 Ų1078.5 Ų78.55%0.05243%0.431CS..EExtended strand (participates in β ladder)trans-93.3153.4177.9-50.7-177.3000110.2M154 A155 I158 E160 K161 L163 L168 I218L150-M154 HydrophobicContact CB-CB 4.22Å; L150-M154 HydrophobicContact CB-CG 4.32Å; L150-M154 HydrophobicContact CD1-CG 4.09Å; L150-A155 HydrophobicContact CB-CB 4.35Å; L150-I158 HydrophobicContact CD1-CD1 4.2Å; L150-E160 WeakPolarHBondContact CD1-O 3.24Å; L150-K161 PolarHBondContact N-O 3.3Å; L150-K161 VanDerWaalsContact N-O 3.11Å; L150-L163 HydrophobicContact CD1-CB 4.25Å; L150-L163 HydrophobicContact CD1-CD1 3.93Å; L150-L163 HydrophobicContact CD2-CB 4.46Å; L150-L168 HydrophobicContact CD1-CD2 3.62Å; L150-L168 HydrophobicContact CD2-CD1 3.54Å; L150-L168 HydrophobicContact CD2-CD2 3.77Å; L150-L168 HydrophobicContact CD2-CG 4.08Å; L150-L168 HydrophobicContact CG-CD2 4.36Å; L150-I218 HydrophobicContact CD2-CG1 4.3Å
151S85.8Confident79.8Confident21 Ų2184.4 Ų84.415%0.14744%0.443CS..PPolyproline II helixtrans-61.9148.4167.361.60000110.6E153 M154 A155 H217S151-E153 PolarHBondContact O-N 2.95Å; S151-E153 VanDerWaalsContact O-N 3.13Å; S151-M154 WeakPolarHBondContact O-CA 3.35Å; S151-M154 WeakPolarHBondContact O-CB 3.33Å; S151-M154 PolarHBondContact O-N 3.16Å; S151-A155 PolarHBondContact O-N 3.07Å; S151-H217 PolarHBondContact N-O 3.13Å; S151-H217 WeakPolarHBondContact OG-CB 3.46Å; S151-H217 PolarHBondContact OG-ND1 3.39Å; S151-H217 PolarHBondContact OG-O 3.39Å
152D84.5Confident81.3Confident141 Ų14181.5 Ų81.575%0.75443%0.432SS*.Hα-helixtrans-50-43.2-176.9-62.8-32.5000112.9M154 A155 E156D152-M154 VanDerWaalsContact C-N 3.28Å; D152-M154 PolarHBondContact O-N 3.5Å; D152-A155 PolarHBondContact O-N 3.11Å; D152-E156 WeakPolarHBondContact O-CB 3.45Å; D152-E156 PolarHBondContact O-N 3.47Å
153E85.4Confident82.4Confident115 Ų11578.4 Ų78.454%0.53741%0.413SS..Hα-helixtrans-58.8-37.7177-59179.6165.900113.3S151 Y157 L199 H217S151-E153 PolarHBondContact O-N 2.95Å; S151-E153 VanDerWaalsContact O-N 3.13Å; E153-Y157 PolarHBondContact O-N 2.95Å; E153-L199 HydrophobicContact CB-CD2 3.77Å; E153-H217 IonicContact OE2-CE1 3.88Å
154M84.8Confident83.4Confident1 Ų176.4 Ų76.41%0.00539%0.391CS..Hα-helixtrans-81.2-37-178.5-172.668.369.500110.8L150 S151 D152 E156 Y157 I158 F172 L199 F200 L214 H217L150-M154 HydrophobicContact CB-CB 4.22Å; L150-M154 HydrophobicContact CB-CG 4.32Å; L150-M154 HydrophobicContact CD1-CG 4.09Å; S151-M154 WeakPolarHBondContact O-CA 3.35Å; S151-M154 WeakPolarHBondContact O-CB 3.33Å; S151-M154 PolarHBondContact O-N 3.16Å; D152-M154 VanDerWaalsContact C-N 3.28Å; D152-M154 PolarHBondContact O-N 3.5Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-Y157 PolarHBondContact O-N 3.4Å; M154-I158 HydrophobicContact CG-CD1 3.96Å; M154-I158 WeakPolarHBondContact O-CG1 3.13Å; M154-I158 PolarHBondContact O-N 3.26Å; M154-I158 HydrophobicContact SD-CD1 3.92Å; M154-I158 HydrophobicContact SD-CG1 4.41Å; M154-F172 HydrophobicContact CE-CE2 4.29Å; M154-F172 HydrophobicContact CE-CZ 4.01Å; M154-F172 HydrophobicContact SD-CE2 3.52Å; M154-F172 VanDerWaalsContact SD-CE2 3.52Å; M154-F172 HydrophobicContact SD-CZ 3.49Å; M154-F172 WeakPolarHBondContact SD-CZ 3.41Å; M154-L199 HydrophobicContact CE-CB 4.48Å; M154-L199 HydrophobicContact CE-CD1 4.14Å; M154-L199 HydrophobicContact CE-CD2 4.16Å; M154-L199 HydrophobicContact SD-CD1 4.07Å; M154-L199 HydrophobicContact SD-CD2 4.49Å; M154-F200 HydrophobicContact CE-CE1 4.13Å; M154-F200 HydrophobicContact CE-CZ 4.45Å; M154-L214 HydrophobicContact CE-CD2 3.73Å; M154-L214 HydrophobicContact SD-CD2 4.25Å; M154-H217 HydrophobicContact CB-CB 4.18Å; M154-H217 HydrophobicContact CE-CB 3.63Å; M154-H217 HydrophobicContact CG-CB 4.43Å
155A86.8Confident84.2Confident15 Ų1572.6 Ų72.612%0.12437%0.372CS..Hα-helixtrans-65.7-36.8175.100000111.6L150 S151 D152 G159 E160L150-A155 HydrophobicContact CB-CB 4.35Å; S151-A155 PolarHBondContact O-N 3.07Å; D152-A155 PolarHBondContact O-N 3.11Å; A155-G159 CarbonylContact O-C 3.59Å; A155-G159 VanDerWaalsContact O-CA 3.23Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.49Å; A155-E160 WeakPolarHBondContact CA-O 3.42Å; A155-E160 PolarHBondContact O-N 3.19Å
156E86.9Confident84.9Confident171 Ų17171 Ų7180%0.79936%0.364SS*.Hα-helixtrans-66.7-41.2175.8-172.3169.1-161.700111.8D152 M154D152-E156 WeakPolarHBondContact O-CB 3.45Å; D152-E156 PolarHBondContact O-N 3.47Å; M154-E156 VanDerWaalsContact C-N 3.33Å
157Y85.6Confident85.6Confident59 Ų5966 Ų6623%0.23135%0.35CS..Hα-helixtrans-71.1-40.1179.4-173.1-101.6000113.5E153 M154 I175 D195 W196 L199E153-Y157 PolarHBondContact O-N 2.95Å; M154-Y157 PolarHBondContact O-N 3.4Å; Y157-I175 HydrophobicContact CE1-CD1 3.71Å; Y157-I175 HydrophobicContact CE1-CG2 4.49Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.44Å; Y157-D195 HydrophobicContact CD2-CB 3.82Å; Y157-D195 HydrophobicContact CE2-CB 3.39Å; Y157-W196 AromaticContact CE1-NE1 3.81Å; Y157-W196 AromaticContact CZ-CD1 3.99Å; Y157-W196 AromaticContact CZ-NE1 3.73Å; Y157-W196 PolarHBondContact OH-NE1 2.89Å; Y157-L199 HydrophobicContact CD1-CD1 4.21Å; Y157-L199 HydrophobicContact CG-CD1 4.18Å
158I87Confident86.1Confident29 Ų2961.7 Ų61.715%0.14932%0.321CS..Hα-helixtrans-86.9-24.8-178.9-57.8176.5000111.9L150 M154 E160 L163 L168 F172L150-I158 HydrophobicContact CD1-CD1 4.2Å; M154-I158 HydrophobicContact CG-CD1 3.96Å; M154-I158 WeakPolarHBondContact O-CG1 3.13Å; M154-I158 PolarHBondContact O-N 3.26Å; M154-I158 HydrophobicContact SD-CD1 3.92Å; M154-I158 HydrophobicContact SD-CG1 4.41Å; I158-E160 VanDerWaalsContact C-N 3.31Å; I158-E160 HydrophobicContact CG2-CB 4.32Å; I158-L163 HydrophobicContact CD1-CD1 4.42Å; I158-L163 HydrophobicContact CG2-CD1 3.65Å; I158-L168 HydrophobicContact CD1-CD2 3.26Å; I158-F172 HydrophobicContact CD1-CE2 3.93Å; I158-F172 HydrophobicContact CG1-CE2 4.48Å
159G86.1Confident86.5Confident66 Ų6661.6 Ų61.668%0.6832%0.322SS*.SBendtrans81.93.9-175.300000114.6A155A155-G159 CarbonylContact O-C 3.59Å; A155-G159 VanDerWaalsContact O-CA 3.23Å; A155-G159 WeakPolarHBondContact O-CA 3.36Å; A155-G159 PolarHBondContact O-N 3.49Å
160E85.2Confident86.7Confident79 Ų7964 Ų6437%0.36933%0.327SS..  trans-122.8133.5-178-71.5-179.1-14100110.3L150 A155 I158 L163L150-E160 WeakPolarHBondContact CD1-O 3.24Å; A155-E160 WeakPolarHBondContact CA-O 3.42Å; A155-E160 PolarHBondContact O-N 3.19Å; I158-E160 VanDerWaalsContact C-N 3.31Å; I158-E160 HydrophobicContact CG2-CB 4.32Å; E160-L163 HydrophobicContact CB-CD1 3.47Å; E160-L163 VanDerWaalsContact CB-CD1 3.47Å; E160-L163 HydrophobicContact CB-CG 4.15Å; E160-L163 HydrophobicContact CG-CD1 4.22Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.38Å; E160-L163 VanDerWaalsContact OE2-CD2 3.3Å; E160-L163 WeakPolarHBondContact OE2-CD2 3.43Å; E160-L163 WeakPolarHBondContact OE2-CG 3.33Å
161K83.5Confident87Confident174 Ų17467.1 Ų67.176%0.75734%0.34SS*.SBendtrans-82.3-27.6-176.9-64.2-176.6179.7-177.70113.6L150L150-K161 PolarHBondContact N-O 3.3Å; L150-K161 VanDerWaalsContact N-O 3.11Å
162E87.2Confident87.2Confident122 Ų12266.1 Ų66.157%0.5733%0.333SS*.EExtended strand (participates in β ladder)trans-135.1120.3-175.6-66.1-176-179.800110.3L148 T149L148-E162 WeakPolarHBondContact O-CA 3.41Å; T149-E162 HydrophobicContact CG2-CG 3.95Å
163L85.9Confident87.5Confident12 Ų1263.6 Ų63.66%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-141.6150.2179.5-92.7146.8000110.9L148 L150 I158 E160 D167 L168L148-L163 PolarHBondContact N-O 2.93Å; L148-L163 PolarHBondContact O-N 2.92Å; L150-L163 HydrophobicContact CD1-CB 4.25Å; L150-L163 HydrophobicContact CD1-CD1 3.93Å; L150-L163 HydrophobicContact CD2-CB 4.46Å; I158-L163 HydrophobicContact CD1-CD1 4.42Å; I158-L163 HydrophobicContact CG2-CD1 3.65Å; E160-L163 HydrophobicContact CB-CD1 3.47Å; E160-L163 VanDerWaalsContact CB-CD1 3.47Å; E160-L163 HydrophobicContact CB-CG 4.15Å; E160-L163 HydrophobicContact CG-CD1 4.22Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.38Å; E160-L163 VanDerWaalsContact OE2-CD2 3.3Å; E160-L163 WeakPolarHBondContact OE2-CD2 3.43Å; E160-L163 WeakPolarHBondContact OE2-CG 3.33Å; L163-D167 HydrophobicContact CD2-CB 3.49Å; L163-D167 VanDerWaalsContact CD2-CB 3.49Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 3.96Å; L163-L168 HydrophobicContact CD1-CD2 4Å
164S87.2Confident87.9Confident7 Ų762.3 Ų62.35%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-71.9152.3170.484.40000110.3S166 D167 L168S164-S166 PolarHBondContact O-N 3.19Å; S164-S166 VanDerWaalsContact O-N 3.16Å; S164-S166 PolarHBondContact OG-N 3.43Å; S164-S166 PolarHBondContact OG-OG 3.46Å; S164-D167 WeakPolarHBondContact CB-OD2 3.33Å; S164-D167 PolarHBondContact O-N 2.92Å; S164-D167 PolarHBondContact OG-N 2.96Å; S164-D167 VanDerWaalsContact OG-N 3.12Å; S164-D167 PolarHBondContact OG-OD2 2.89Å; S164-L168 PolarHBondContact O-N 3.43Å
165R85.4Confident88.2Confident75 Ų7563.8 Ų63.828%0.28332%0.315SS..Hα-helixtrans-55.6-35.9176-174.6177-179.785.31.2112L148 V169 A211 I218L148-R165 HydrophobicContact CD1-CB 3.94Å; R165-V169 VanDerWaalsContact O-CG2 3.29Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.44Å; R165-A211 PolarHBondContact NH2-O 3.36Å; R165-I218 HydrophobicContact CB-CD1 4.42Å; R165-I218 HydrophobicContact CG-CD1 4.18Å
166S88.4Confident88.4Confident44 Ų4463.1 Ų63.131%0.30831%0.309SS..Hα-helixtrans-68.1-39.4176.437.10000112.9S164 V169 K170S164-S166 PolarHBondContact O-N 3.19Å; S164-S166 VanDerWaalsContact O-N 3.16Å; S164-S166 PolarHBondContact OG-N 3.43Å; S164-S166 PolarHBondContact OG-OG 3.46Å; S166-V169 PolarHBondContact O-N 3.17Å; S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 3.39Å; S166-K170 VanDerWaalsContact O-N 3.09Å
167D89.4Confident88.6Confident57 Ų5762.1 Ų62.131%0.30530%0.298SS..Hα-helixtrans-75.3-35.9-176.1-60.1-37.6000111.2L163 S164 V169 K170 K171L163-D167 HydrophobicContact CD2-CB 3.49Å; L163-D167 VanDerWaalsContact CD2-CB 3.49Å; S164-D167 WeakPolarHBondContact CB-OD2 3.33Å; S164-D167 PolarHBondContact O-N 2.92Å; S164-D167 PolarHBondContact OG-N 2.96Å; S164-D167 VanDerWaalsContact OG-N 3.12Å; S164-D167 PolarHBondContact OG-OD2 2.89Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact O-N 3.18Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.46Å; D167-K170 IonicContact OD1-NZ 2.94Å; D167-K170 PolarHBondContact OD1-NZ 3.14Å; D167-K171 WeakPolarHBondContact O-CG 3.42Å; D167-K171 PolarHBondContact O-N 3.39Å
168L88.8Confident88.9Confident1 Ų167.1 Ų67.11%0.00532%0.324CS..Hα-helixtrans-53.8-49.2167.4-71.3172.6000111.9L150 I158 L163 S164 K170 K171 F172 L214 I218L150-L168 HydrophobicContact CD1-CD2 3.62Å; L150-L168 HydrophobicContact CD2-CD1 3.54Å; L150-L168 HydrophobicContact CD2-CD2 3.77Å; L150-L168 HydrophobicContact CD2-CG 4.08Å; L150-L168 HydrophobicContact CG-CD2 4.36Å; I158-L168 HydrophobicContact CD1-CD2 3.26Å; L163-L168 HydrophobicContact CB-CD2 3.96Å; L163-L168 HydrophobicContact CB-CG 3.96Å; L163-L168 HydrophobicContact CD1-CD2 4Å; S164-L168 PolarHBondContact O-N 3.43Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.24Å; L168-K171 PolarHBondContact O-N 3.28Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.4Å; L168-L214 HydrophobicContact CB-CD1 3.99Å; L168-I218 HydrophobicContact CD1-CD1 3.62Å; L168-I218 HydrophobicContact CD1-CG1 3.67Å
169V89.9Confident89.1Confident32 Ų3270 Ų7019%0.19434%0.336CS..Hα-helixtrans-58.8-47.3-180171.20000109.5R165 S166 D167 K171 F172 W173 V210 A211 L214R165-V169 VanDerWaalsContact O-CG2 3.29Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.44Å; S166-V169 PolarHBondContact O-N 3.17Å; D167-V169 VanDerWaalsContact C-N 3.31Å; D167-V169 PolarHBondContact O-N 3.18Å; V169-K171 PolarHBondContact O-N 2.81Å; V169-F172 PolarHBondContact O-N 3.06Å; V169-W173 PolarHBondContact O-N 2.86Å; V169-V210 HydrophobicContact CG1-CG1 4.19Å; V169-V210 HydrophobicContact CG2-CG1 4.39Å; V169-A211 HydrophobicContact CG2-CB 3.9Å; V169-L214 HydrophobicContact CG2-CD1 3.76Å
170K91.1Very high89.2Confident112 Ų11273.3 Ų73.349%0.48734%0.339SS..Hα-helixtrans-58.1-47.1177.3-67.3172.9-164.9158.50112.5S166 D167 L168 F172 W173 E174S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 3.39Å; S166-K170 VanDerWaalsContact O-N 3.09Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.46Å; D167-K170 IonicContact OD1-NZ 2.94Å; D167-K170 PolarHBondContact OD1-NZ 3.14Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.24Å; K170-F172 VanDerWaalsContact C-N 3.35Å; K170-F172 PolarHBondContact O-N 3.41Å; K170-W173 CarbonylContact O-C 3.55Å; K170-W173 WeakPolarHBondContact O-CA 3.34Å; K170-W173 WeakPolarHBondContact O-CB 3.4Å; K170-W173 PolarHBondContact O-N 3.08Å; K170-E174 PolarHBondContact O-N 3.31Å
171K91.1Very high89.4Confident76 Ų7670.1 Ų70.133%0.3332%0.324SS..Hα-helixtrans-57.5-46.1177.7-71.8-67.1-1731780111.9D167 L168 V169 W173 E174 I175D167-K171 WeakPolarHBondContact O-CG 3.42Å; D167-K171 PolarHBondContact O-N 3.39Å; L168-K171 PolarHBondContact O-N 3.28Å; V169-K171 PolarHBondContact O-N 2.81Å; K171-W173 VanDerWaalsContact C-N 3.29Å; K171-W173 PolarHBondContact O-N 2.93Å; K171-E174 PolarHBondContact O-N 3.05Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.11Å; K171-I175 PolarHBondContact O-N 2.96Å
172F90.7Very high89.8Confident0 Ų063.7 Ų63.70%030%0.296CS..Hα-helixtrans-63-35175-87.5-94.3000112.6M154 I158 L168 V169 K170 A176 W196 L199 F200 M207 V210 L214M154-F172 HydrophobicContact CE-CE2 4.29Å; M154-F172 HydrophobicContact CE-CZ 4.01Å; M154-F172 HydrophobicContact SD-CE2 3.52Å; M154-F172 VanDerWaalsContact SD-CE2 3.52Å; M154-F172 HydrophobicContact SD-CZ 3.49Å; M154-F172 WeakPolarHBondContact SD-CZ 3.41Å; I158-F172 HydrophobicContact CD1-CE2 3.93Å; I158-F172 HydrophobicContact CG1-CE2 4.48Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.4Å; V169-F172 PolarHBondContact O-N 3.06Å; K170-F172 VanDerWaalsContact C-N 3.35Å; K170-F172 PolarHBondContact O-N 3.41Å; F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.33Å; F172-W196 HydrophobicContact CB-CH2 4.29Å; F172-W196 HydrophobicContact CB-CZ2 4.4Å; F172-W196 HydrophobicContact CD1-CD2 4.22Å; F172-W196 AromaticContact CD1-CE2 3.65Å; F172-W196 HydrophobicContact CD1-CE3 4.47Å; F172-W196 AromaticContact CD1-CH2 3.59Å; F172-W196 HydrophobicContact CD1-CH2 3.59Å; F172-W196 AromaticContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ3 4.18Å; F172-W196 HydrophobicContact CE1-CD2 4.14Å; F172-W196 AromaticContact CE1-CE2 3.73Å; F172-W196 HydrophobicContact CE1-CH2 4.44Å; F172-W196 AromaticContact CE1-CZ2 3.93Å; F172-W196 HydrophobicContact CE1-CZ2 3.93Å; F172-W196 AromaticContact CE1-NE1 3.91Å; F172-W196 HydrophobicContact CG-CH2 4.43Å; F172-W196 HydrophobicContact CG-CZ2 4.26Å; F172-L199 HydrophobicContact CZ-CD1 4.19Å; F172-F200 AromaticContact CD1-CE2 3.95Å; F172-F200 HydrophobicContact CD1-CE2 3.95Å; F172-F200 AromaticContact CD1-CZ 3.95Å; F172-F200 HydrophobicContact CD1-CZ 3.95Å; F172-F200 AromaticContact CE1-CE2 3.44Å; F172-F200 HydrophobicContact CE1-CE2 3.44Å; F172-F200 VanDerWaalsContact CE1-CE2 3.44Å; F172-F200 AromaticContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CE1-CZ 3.41Å; F172-F200 VanDerWaalsContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CZ-CE2 4.19Å; F172-F200 AromaticContact CZ-CZ 3.74Å; F172-F200 HydrophobicContact CZ-CZ 3.74Å; F172-M207 VanDerWaalsContact C-CE 3.49Å; F172-M207 HydrophobicContact CB-CE 4.37Å; F172-M207 VanDerWaalsContact O-CE 3.27Å; F172-M207 WeakPolarHBondContact O-CE 3.39Å; F172-V210 HydrophobicContact CB-CG2 4.2Å; F172-V210 HydrophobicContact CD1-CG2 4.19Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-L214 HydrophobicContact CD2-CD1 4.39Å; F172-L214 HydrophobicContact CD2-CD2 3.82Å; F172-L214 HydrophobicContact CE2-CD2 3.5Å; F172-L214 HydrophobicContact CZ-CD2 4Å
173W91.2Very high89.9Confident88 Ų8859.7 Ų59.733%0.33328%0.279SS..Hα-helixtrans-68.2-33173.6-84.8100.6000114V169 K170 K171 R177 F182 M207V169-W173 PolarHBondContact O-N 2.86Å; K170-W173 CarbonylContact O-C 3.55Å; K170-W173 WeakPolarHBondContact O-CA 3.34Å; K170-W173 WeakPolarHBondContact O-CB 3.4Å; K170-W173 PolarHBondContact O-N 3.08Å; K171-W173 VanDerWaalsContact C-N 3.29Å; K171-W173 PolarHBondContact O-N 2.93Å; W173-R177 WeakPolarHBondContact O-CG 3.41Å; W173-R177 PolarHBondContact O-N 3.48Å; W173-R177 PolarHBondContact O-NE 3.08Å; W173-F182 HydrophobicContact CE3-CZ 4.05Å; W173-F182 HydrophobicContact CZ3-CE1 4.19Å; W173-F182 AromaticContact CZ3-CZ 3.92Å; W173-F182 HydrophobicContact CZ3-CZ 3.92Å; W173-M207 HydrophobicContact CB-CE 4.06Å; W173-M207 HydrophobicContact CD2-CE 3.62Å; W173-M207 HydrophobicContact CD2-CG 3.87Å; W173-M207 HydrophobicContact CE3-CE 4.06Å; W173-M207 HydrophobicContact CE3-CG 3.86Å; W173-M207 HydrophobicContact CG-CE 3.6Å; W173-M207 HydrophobicContact CH2-CB 4.05Å; W173-M207 HydrophobicContact CH2-CG 3.57Å; W173-M207 HydrophobicContact CZ2-CB 4.2Å; W173-M207 HydrophobicContact CZ2-CG 3.56Å; W173-M207 HydrophobicContact CZ3-CB 4.48Å; W173-M207 HydrophobicContact CZ3-CG 3.71Å
174E93.6Very high90Very high88 Ų8864.6 Ų64.641%0.41131%0.311SS..Hα-helixtrans-69.7-52.9173.5-72.1163-168.600109.9K170 K171 A176 R177 E178K170-E174 PolarHBondContact O-N 3.31Å; K171-E174 PolarHBondContact O-N 3.05Å; E174-A176 VanDerWaalsContact C-N 3.33Å; E174-A176 PolarHBondContact O-N 2.86Å; E174-R177 PolarHBondContact O-N 3.25Å; E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 2.96Å
175I91.5Very high90.2Very high33 Ų3372 Ų7217%0.16935%0.35CS..Hα-helixtrans-58-43.2179.2-65.4170.1000111.7Y157 K171 R177 E178 Q179 W196Y157-I175 HydrophobicContact CE1-CD1 3.71Å; Y157-I175 HydrophobicContact CE1-CG2 4.49Å; Y157-I175 WeakPolarHBondContact OH-CG2 3.44Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.11Å; K171-I175 PolarHBondContact O-N 2.96Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 2.82Å; I175-E178 PolarHBondContact O-N 2.83Å; I175-Q179 HydrophobicContact CG2-CG 4.46Å; I175-Q179 WeakPolarHBondContact O-CB 3.35Å; I175-Q179 PolarHBondContact O-N 3.15Å; I175-W196 HydrophobicContact CB-CZ2 4.25Å; I175-W196 HydrophobicContact CG2-CZ2 3.89Å
176A90.9Very high90.3Very high0 Ų071.4 Ų71.40%035%0.353CS..Hα-helixtrans-61.3-34.6177.800000113.4F172 E174 D180 L181 F182 V190 W196 M207F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.33Å; E174-A176 VanDerWaalsContact C-N 3.33Å; E174-A176 PolarHBondContact O-N 2.86Å; A176-D180 PolarHBondContact O-N 3.15Å; A176-L181 PolarHBondContact O-N 3Å; A176-F182 HydrophobicContact CB-CD2 4.44Å; A176-F182 HydrophobicContact CB-CE2 3.6Å; A176-F182 HydrophobicContact CB-CZ 3.77Å; A176-F182 WeakPolarHBondContact O-CD2 3.37Å; A176-F182 WeakPolarHBondContact O-CE2 3.48Å; A176-V190 HydrophobicContact CB-CG2 4.42Å; A176-W196 HydrophobicContact CB-CH2 3.77Å; A176-W196 HydrophobicContact CB-CZ2 4.37Å; A176-M207 HydrophobicContact CB-CE 3.67Å; A176-M207 HydrophobicContact CB-SD 4.3Å
177R90.7Very high90.3Very high150 Ų15077.3 Ų77.357%0.56637%0.373SS*.Hα-helixtrans-80-38.3180-75.1-176.4-70.5167.63.4111.3W173 E174 I175 D180 F182W173-R177 WeakPolarHBondContact O-CG 3.41Å; W173-R177 PolarHBondContact O-N 3.48Å; W173-R177 PolarHBondContact O-NE 3.08Å; E174-R177 PolarHBondContact O-N 3.25Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 2.82Å; R177-D180 PolarHBondContact O-N 3.49Å; R177-F182 HydrophobicContact CB-CE2 4.45Å; R177-F182 HydrophobicContact CG-CE2 3.64Å; R177-F182 HydrophobicContact CG-CZ 4.32Å
178E92.8Very high90.3Very high165 Ų16580.1 Ų80.177%0.77138%0.384SS*.Hα-helixtrans-72.2-32.8-179.6-172.3156.9-156.200112.6E174 I175E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 2.96Å; I175-E178 PolarHBondContact O-N 2.83Å
179Q89.8Confident90.5Very high88 Ų8883.2 Ų83.241%0.41140%0.398SS..THydrogen-bonded Turntrans-92.16.9175.5-64.5-171.6-20.100113.6I175 L181 N193I175-Q179 HydrophobicContact CG2-CG 4.46Å; I175-Q179 WeakPolarHBondContact O-CB 3.35Å; I175-Q179 PolarHBondContact O-N 3.15Å; Q179-L181 HydrophobicContact CB-CD1 3.88Å; Q179-L181 HydrophobicContact CB-CG 3.76Å; Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.09Å; Q179-N193 PolarHBondContact OE1-ND2 3.28Å
180D88.6Confident90.6Very high137 Ų13781.7 Ų81.773%0.73339%0.388SS*.THydrogen-bonded Turntrans45.141.5-175.9-77.2-52000113.8A176 R177 F182A176-D180 PolarHBondContact O-N 3.15Å; R177-D180 PolarHBondContact O-N 3.49Å; D180-F182 PolarHBondContact O-N 3.42Å; D180-F182 VanDerWaalsContact O-N 3.11Å
181L89.5Confident90.5Very high11 Ų1179.3 Ų79.36%0.05838%0.383CS..  trans-73.5-2-175-79.4170000114.3A176 Q179 V190 V191 N193 W196A176-L181 PolarHBondContact O-N 3Å; Q179-L181 HydrophobicContact CB-CD1 3.88Å; Q179-L181 HydrophobicContact CB-CG 3.76Å; Q179-L181 PolarHBondContact O-N 3.43Å; Q179-L181 VanDerWaalsContact O-N 3.09Å; L181-V190 HydrophobicContact CB-CG1 3.83Å; L181-V190 WeakPolarHBondContact O-CA 3.42Å; L181-V191 WeakPolarHBondContact CD2-O 3.1Å; L181-V191 PolarHBondContact O-N 3.26Å; L181-N193 HydrophobicContact CD2-CB 4.11Å; L181-N193 WeakPolarHBondContact CD2-ND2 3.34Å; L181-N193 WeakPolarHBondContact CD2-OD1 3.47Å; L181-W196 HydrophobicContact CD1-CD2 4.35Å; L181-W196 HydrophobicContact CD1-CZ2 4.18Å
182F91.6Very high90.4Very high39 Ų3976.2 Ų76.217%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-77.2132.1-179.3-69.6-81.8000110.9W173 A176 R177 D180 K187 V190 M207W173-F182 HydrophobicContact CE3-CZ 4.05Å; W173-F182 HydrophobicContact CZ3-CE1 4.19Å; W173-F182 AromaticContact CZ3-CZ 3.92Å; W173-F182 HydrophobicContact CZ3-CZ 3.92Å; A176-F182 HydrophobicContact CB-CD2 4.44Å; A176-F182 HydrophobicContact CB-CE2 3.6Å; A176-F182 HydrophobicContact CB-CZ 3.77Å; A176-F182 WeakPolarHBondContact O-CD2 3.37Å; A176-F182 WeakPolarHBondContact O-CE2 3.48Å; R177-F182 HydrophobicContact CB-CE2 4.45Å; R177-F182 HydrophobicContact CG-CE2 3.64Å; R177-F182 HydrophobicContact CG-CZ 4.32Å; D180-F182 PolarHBondContact O-N 3.42Å; D180-F182 VanDerWaalsContact O-N 3.11Å; F182-K187 VanDerWaalsContact CD1-O 3.25Å; F182-K187 WeakPolarHBondContact CD1-O 3.49Å; F182-V190 HydrophobicContact CD1-CG2 3.57Å; F182-V190 HydrophobicContact CE1-CG2 3.54Å; F182-V190 HydrophobicContact CG-CG2 4.2Å; F182-V190 HydrophobicContact CZ-CG2 4.13Å; F182-M207 HydrophobicContact CE1-CB 3.85Å; F182-M207 HydrophobicContact CE1-CG 3.78Å; F182-M207 HydrophobicContact CZ-CG 4Å
183D89.7Confident90.3Very high39 Ų3979.1 Ų79.121%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-58123.3176-90.9-46.5000110.1N185 N186 K187 F189 V191D183-N185 PolarHBondContact O-N 2.96Å; D183-N186 WeakPolarHBondContact CB-O 3.47Å; D183-N186 CarbonylContact O-C 3.6Å; D183-N186 PolarHBondContact O-N 3.02Å; D183-K187 PolarHBondContact O-N 3Å; D183-F189 HydrophobicContact CB-CB 4.28Å; D183-F189 PolarHBondContact N-O 2.9Å; D183-F189 VanDerWaalsContact OD2-CB 3.22Å; D183-F189 WeakPolarHBondContact OD2-CB 3.5Å; D183-V191 VanDerWaalsContact CG-CG2 3.46Å; D183-V191 WeakPolarHBondContact OD1-CG2 3.18Å
184P88.8Confident90.2Very high114 Ų11481.6 Ų81.674%0.7440%0.402SS*.THydrogen-bonded Turntrans-62.9-30.5-177.623.6-33.4000111.9
185N89.8Confident89.8Confident162 Ų16280.6 Ų80.687%0.86640%0.399SS*.THydrogen-bonded Turntrans-75.7-28.3176.2-65.3-32.5000112.8D183D183-N185 PolarHBondContact O-N 2.96Å
186N89.1Confident89.7Confident64 Ų6479 Ų7934%0.34239%0.391SS..EExtended strand (participates in β ladder)trans-154.690.6-177-167.7-12.9000111.2D183 Q188 F189D183-N186 WeakPolarHBondContact CB-O 3.47Å; D183-N186 CarbonylContact O-C 3.6Å; D183-N186 PolarHBondContact O-N 3.02Å; N186-Q188 PolarHBondContact O-N 2.87Å; N186-Q188 VanDerWaalsContact OD1-CB 3.28Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.5Å; N186-Q188 VanDerWaalsContact OD1-CG 3.3Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.4Å; N186-Q188 PolarHBondContact OD1-N 3.13Å; N186-F189 HydrophobicContact CB-CD2 4.11Å; N186-F189 WeakPolarHBondContact ND2-CD2 3.45Å; N186-F189 WeakPolarHBondContact ND2-CE2 3.2Å; N186-F189 PolarHBondContact O-N 3.02Å
187K87.3Confident89.5Confident167 Ų16782.8 Ų82.873%0.72641%0.409SS*.EExtended strand (participates in β ladder)trans-60.10.1179.6-56.6-172.8179.7-168.90115F182 D183F182-K187 VanDerWaalsContact CD1-O 3.25Å; F182-K187 WeakPolarHBondContact CD1-O 3.49Å; D183-K187 PolarHBondContact O-N 3Å
188Q90.6Very high89.3Confident117 Ų11783.9 Ų83.955%0.54741%0.413SS..EExtended strand (participates in β ladder)trans-78.3-28.3168.9-58.3-176.5-2.100112.2N186 R206 M207N186-Q188 PolarHBondContact O-N 2.87Å; N186-Q188 VanDerWaalsContact OD1-CB 3.28Å; N186-Q188 WeakPolarHBondContact OD1-CB 3.5Å; N186-Q188 VanDerWaalsContact OD1-CG 3.3Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.4Å; N186-Q188 PolarHBondContact OD1-N 3.13Å; Q188-R206 HydrophobicContact CB-CG 4.35Å; Q188-R206 CarbonylContact O-C 3.08Å; Q188-R206 WeakPolarHBondContact O-CA 3.35Å; Q188-R206 WeakPolarHBondContact O-CG 3.37Å; Q188-M207 PolarHBondContact O-N 2.98Å
189F91.8Very high89Confident65 Ų6576.4 Ų76.429%0.28538%0.378SS..EExtended strand (participates in β ladder)trans-97143.4-179.9-69-89.7000110.7D183 N186 F205 R206D183-F189 HydrophobicContact CB-CB 4.28Å; D183-F189 PolarHBondContact N-O 2.9Å; D183-F189 VanDerWaalsContact OD2-CB 3.22Å; D183-F189 WeakPolarHBondContact OD2-CB 3.5Å; N186-F189 HydrophobicContact CB-CD2 4.11Å; N186-F189 WeakPolarHBondContact ND2-CD2 3.45Å; N186-F189 WeakPolarHBondContact ND2-CE2 3.2Å; N186-F189 PolarHBondContact O-N 3.02Å; F189-F205 WeakPolarHBondContact CA-O 3.47Å; F189-R206 HydrophobicContact CD1-CB 4.44Å; F189-R206 HydrophobicContact CE1-CB 4.34Å
190V91.7Very high88.8Confident0 Ų073 Ų730%036%0.362CS..EExtended strand (participates in β ladder)trans-114126.9171.7165.50000107.4A176 L181 F182 W196 R204 F205 M207A176-V190 HydrophobicContact CB-CG2 4.42Å; L181-V190 HydrophobicContact CB-CG1 3.83Å; L181-V190 WeakPolarHBondContact O-CA 3.42Å; F182-V190 HydrophobicContact CD1-CG2 3.57Å; F182-V190 HydrophobicContact CE1-CG2 3.54Å; F182-V190 HydrophobicContact CG-CG2 4.2Å; F182-V190 HydrophobicContact CZ-CG2 4.13Å; V190-W196 HydrophobicContact CB-CZ3 4.34Å; V190-W196 HydrophobicContact CG1-CE3 3.75Å; V190-W196 HydrophobicContact CG1-CH2 4.28Å; V190-W196 HydrophobicContact CG1-CZ3 3.38Å; V190-R204 VanDerWaalsContact O-CA 3.32Å; V190-R204 WeakPolarHBondContact O-CA 3.3Å; V190-F205 PolarHBondContact N-O 3.23Å; V190-F205 PolarHBondContact O-N 3.2Å; V190-F205 VanDerWaalsContact O-N 3.07Å; V190-M207 HydrophobicContact CG2-CB 3.82Å; V190-M207 HydrophobicContact CG2-CG 4.05Å; V190-M207 HydrophobicContact CG2-SD 3.78Å
191V90.5Very high88.7Confident62 Ų6272.9 Ų72.938%0.37636%0.361SS..EExtended strand (participates in β ladder)trans-79.4125.6168.6-175.40000106.8L181 D183 N193L181-V191 WeakPolarHBondContact CD2-O 3.1Å; L181-V191 PolarHBondContact O-N 3.26Å; D183-V191 VanDerWaalsContact CG-CG2 3.46Å; D183-V191 WeakPolarHBondContact OD1-CG2 3.18Å; V191-N193 PolarHBondContact O-N 3.25Å
192C88.6Confident88.5Confident11 Ų1175.2 Ų75.27%0.07437%0.374CS..PPolyproline II helixtrans-74.7127.6-179.8-62.70000109.8W196 Q197 L202 K203 F205C192-W196 HydrophobicContact CB-CB 3.71Å; C192-Q197 HydrophobicContact CB-CB 4.21Å; C192-L202 WeakPolarHBondContact CB-O 3.43Å; C192-L202 PolarHBondContact SG-O 3.03Å; C192-K203 PolarHBondContact N-O 3.03Å; C192-F205 WeakPolarHBondContact SG-CD1 3.48Å; C192-F205 WeakPolarHBondContact SG-CE1 3.28Å
193N88.3Confident88.3Confident61 Ų6181 Ų8133%0.32640%0.399SS..PPolyproline II helixtrans-64.6172159.9-79.2-17.4000110.8Q179 L181 V191 D195 W196 Q197Q179-N193 PolarHBondContact OE1-ND2 3.28Å; L181-N193 HydrophobicContact CD2-CB 4.11Å; L181-N193 WeakPolarHBondContact CD2-ND2 3.34Å; L181-N193 WeakPolarHBondContact CD2-OD1 3.47Å; V191-N193 PolarHBondContact O-N 3.25Å; N193-D195 PolarHBondContact O-N 2.91Å; N193-W196 PolarHBondContact O-N 2.9Å; N193-W196 VanDerWaalsContact O-N 3.13Å; N193-Q197 WeakPolarHBondContact O-CB 3.37Å; N193-Q197 PolarHBondContact O-N 3.43Å
194E88.2Confident88.3Confident140 Ų14087.5 Ų87.565%0.65442%0.42SS*.Hα-helixtrans-52.9-41.4179.7-63.8-171.4-179.500112.4Q197 R198E194-Q197 PolarHBondContact O-N 3.19Å; E194-R198 WeakPolarHBondContact O-CG 3.24Å; E194-R198 PolarHBondContact O-N 3.41Å
195D86.3Confident88.4Confident67 Ų6782.5 Ų82.536%0.35839%0.387SS..Hα-helixtrans-66.2-45.3179.3-57.2-40.9000112.2Y157 N193 Q197 R198 L199Y157-D195 HydrophobicContact CD2-CB 3.82Å; Y157-D195 HydrophobicContact CE2-CB 3.39Å; N193-D195 PolarHBondContact O-N 2.91Å; D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 2.98Å; D195-R198 PolarHBondContact O-N 3.14Å; D195-L199 WeakPolarHBondContact O-CG 3.33Å; D195-L199 PolarHBondContact O-N 2.87Å
196W88.4Confident88.4Confident0 Ų081 Ų810%037%0.369CS..Hα-helixtrans-68.6-31.1178.2-74.635.6000111.4Y157 F172 I175 A176 L181 V190 C192 N193 F200 F205 M207Y157-W196 AromaticContact CE1-NE1 3.81Å; Y157-W196 AromaticContact CZ-CD1 3.99Å; Y157-W196 AromaticContact CZ-NE1 3.73Å; Y157-W196 PolarHBondContact OH-NE1 2.89Å; F172-W196 HydrophobicContact CB-CH2 4.29Å; F172-W196 HydrophobicContact CB-CZ2 4.4Å; F172-W196 HydrophobicContact CD1-CD2 4.22Å; F172-W196 AromaticContact CD1-CE2 3.65Å; F172-W196 HydrophobicContact CD1-CE3 4.47Å; F172-W196 AromaticContact CD1-CH2 3.59Å; F172-W196 HydrophobicContact CD1-CH2 3.59Å; F172-W196 AromaticContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ2 3.34Å; F172-W196 HydrophobicContact CD1-CZ3 4.18Å; F172-W196 HydrophobicContact CE1-CD2 4.14Å; F172-W196 AromaticContact CE1-CE2 3.73Å; F172-W196 HydrophobicContact CE1-CH2 4.44Å; F172-W196 AromaticContact CE1-CZ2 3.93Å; F172-W196 HydrophobicContact CE1-CZ2 3.93Å; F172-W196 AromaticContact CE1-NE1 3.91Å; F172-W196 HydrophobicContact CG-CH2 4.43Å; F172-W196 HydrophobicContact CG-CZ2 4.26Å; I175-W196 HydrophobicContact CB-CZ2 4.25Å; I175-W196 HydrophobicContact CG2-CZ2 3.89Å; A176-W196 HydrophobicContact CB-CH2 3.77Å; A176-W196 HydrophobicContact CB-CZ2 4.37Å; L181-W196 HydrophobicContact CD1-CD2 4.35Å; L181-W196 HydrophobicContact CD1-CZ2 4.18Å; V190-W196 HydrophobicContact CB-CZ3 4.34Å; V190-W196 HydrophobicContact CG1-CE3 3.75Å; V190-W196 HydrophobicContact CG1-CH2 4.28Å; V190-W196 HydrophobicContact CG1-CZ3 3.38Å; C192-W196 HydrophobicContact CB-CB 3.71Å; N193-W196 PolarHBondContact O-N 2.9Å; N193-W196 VanDerWaalsContact O-N 3.13Å; W196-F200 HydrophobicContact CB-CD2 4.3Å; W196-F200 HydrophobicContact CD2-CE2 4.32Å; W196-F200 HydrophobicContact CE3-CE2 4.22Å; W196-F200 WeakPolarHBondContact O-CB 3.46Å; W196-F200 WeakPolarHBondContact O-CD2 3.38Å; W196-F200 PolarHBondContact O-N 2.96Å; W196-F205 AromaticContact CE3-CE1 3.71Å; W196-F205 HydrophobicContact CE3-CE1 3.71Å; W196-F205 AromaticContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CZ3-CE1 4.08Å; W196-F205 HydrophobicContact CZ3-CE2 4.33Å; W196-F205 AromaticContact CZ3-CZ 3.44Å; W196-F205 HydrophobicContact CZ3-CZ 3.44Å; W196-F205 VanDerWaalsContact CZ3-CZ 3.44Å; W196-M207 HydrophobicContact CH2-CE 4.19Å; W196-M207 HydrophobicContact CH2-SD 4.32Å; W196-M207 HydrophobicContact CZ3-SD 4.32Å
197Q88Confident88.5Confident80 Ų8078 Ų7837%0.37435%0.353SS..Hα-helixtrans-70.7-36.1174.7-168.9175.2-0.500111C192 N193 E194 D195 N201C192-Q197 HydrophobicContact CB-CB 4.21Å; N193-Q197 WeakPolarHBondContact O-CB 3.37Å; N193-Q197 PolarHBondContact O-N 3.43Å; E194-Q197 PolarHBondContact O-N 3.19Å; D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 2.98Å; Q197-N201 WeakPolarHBondContact O-CA 3.43Å; Q197-N201 PolarHBondContact O-N 3.35Å
198R86.2Confident88.5Confident173 Ų17377.8 Ų77.865%0.65335%0.353SS*.Hα-helixtrans-65.5-47.7172.4-71.5173.7-169.7-162.46.7111.7E194 D195 N201E194-R198 WeakPolarHBondContact O-CG 3.24Å; E194-R198 PolarHBondContact O-N 3.41Å; D195-R198 PolarHBondContact O-N 3.14Å; R198-N201 PolarHBondContact O-ND2 3.17Å
199L86Confident88.4Confident8 Ų873.4 Ų73.44%0.04234%0.338CS..Hα-helixtrans-64.6-59.6179.6-66.9170.6000111.1E153 M154 Y157 F172 D195 H217E153-L199 HydrophobicContact CB-CD2 3.77Å; M154-L199 HydrophobicContact CE-CB 4.48Å; M154-L199 HydrophobicContact CE-CD1 4.14Å; M154-L199 HydrophobicContact CE-CD2 4.16Å; M154-L199 HydrophobicContact SD-CD1 4.07Å; M154-L199 HydrophobicContact SD-CD2 4.49Å; Y157-L199 HydrophobicContact CD1-CD1 4.21Å; Y157-L199 HydrophobicContact CG-CD1 4.18Å; F172-L199 HydrophobicContact CZ-CD1 4.19Å; D195-L199 WeakPolarHBondContact O-CG 3.33Å; D195-L199 PolarHBondContact O-N 2.87Å; L199-H217 PolarHBondContact O-CE1 2.96Å; L199-H217 PolarHBondContact O-NE2 3.04Å
200F86.4Confident88.2Confident15 Ų1570.3 Ų70.37%0.06633%0.325CS..Hα-helixtrans-90.7-11.8-170.1-56.6-50.2000114.7M154 F172 W196 L202 F205 V210 H213 L214M154-F200 HydrophobicContact CE-CE1 4.13Å; M154-F200 HydrophobicContact CE-CZ 4.45Å; F172-F200 AromaticContact CD1-CE2 3.95Å; F172-F200 HydrophobicContact CD1-CE2 3.95Å; F172-F200 AromaticContact CD1-CZ 3.95Å; F172-F200 HydrophobicContact CD1-CZ 3.95Å; F172-F200 AromaticContact CE1-CE2 3.44Å; F172-F200 HydrophobicContact CE1-CE2 3.44Å; F172-F200 VanDerWaalsContact CE1-CE2 3.44Å; F172-F200 AromaticContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CE1-CZ 3.41Å; F172-F200 VanDerWaalsContact CE1-CZ 3.41Å; F172-F200 HydrophobicContact CZ-CE2 4.19Å; F172-F200 AromaticContact CZ-CZ 3.74Å; F172-F200 HydrophobicContact CZ-CZ 3.74Å; W196-F200 HydrophobicContact CB-CD2 4.3Å; W196-F200 HydrophobicContact CD2-CE2 4.32Å; W196-F200 HydrophobicContact CE3-CE2 4.22Å; W196-F200 WeakPolarHBondContact O-CB 3.46Å; W196-F200 WeakPolarHBondContact O-CD2 3.38Å; W196-F200 PolarHBondContact O-N 2.96Å; F200-L202 HydrophobicContact CB-CB 4.39Å; F200-L202 HydrophobicContact CB-CD1 4.2Å; F200-L202 WeakPolarHBondContact O-CG 3.34Å; F200-L202 PolarHBondContact O-N 2.78Å; F200-F205 HydrophobicContact CD2-CD1 4.5Å; F200-F205 AromaticContact CD2-CE1 3.59Å; F200-F205 HydrophobicContact CD2-CE1 3.59Å; F200-F205 AromaticContact CD2-CZ 3.96Å; F200-F205 HydrophobicContact CD2-CZ 3.96Å; F200-F205 AromaticContact CE2-CE1 3.99Å; F200-F205 HydrophobicContact CE2-CE1 3.99Å; F200-F205 AromaticContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CG-CE1 4.44Å; F200-V210 HydrophobicContact CE2-CG2 4.33Å; F200-V210 HydrophobicContact CZ-CG2 4.05Å; F200-H213 HydrophobicContact CB-CB 4.47Å; F200-H213 HydrophobicContact CD1-CB 3.33Å; F200-H213 HydrophobicContact CE1-CB 3.6Å; F200-H213 HydrophobicContact CG-CB 3.99Å; F200-H213 HydrophobicContact CZ-CB 4.46Å; F200-L214 HydrophobicContact CE1-CD2 3.91Å; F200-L214 HydrophobicContact CE1-CG 4.35Å; F200-L214 HydrophobicContact CZ-CD2 3.82Å; F200-L214 HydrophobicContact CZ-CG 4.37Å
201N85.3Confident88Confident135 Ų13571.7 Ų71.772%0.72234%0.336SS*.  trans53.931.9-174.5-67.7-66.8000113.4Q197 R198Q197-N201 WeakPolarHBondContact O-CA 3.43Å; Q197-N201 PolarHBondContact O-N 3.35Å; R198-N201 PolarHBondContact O-ND2 3.17Å
202L85.7Confident87.8Confident60 Ų6076.7 Ų76.731%0.31435%0.353SS..  trans-125.8139.9-178.3-74.6156.5000109.1C192 F200 F205 H213C192-L202 WeakPolarHBondContact CB-O 3.43Å; C192-L202 PolarHBondContact SG-O 3.03Å; F200-L202 HydrophobicContact CB-CB 4.39Å; F200-L202 HydrophobicContact CB-CD1 4.2Å; F200-L202 WeakPolarHBondContact O-CG 3.34Å; F200-L202 PolarHBondContact O-N 2.78Å; L202-F205 HydrophobicContact CB-CD1 4.45Å; L202-H213 WeakPolarHBondContact CD1-CD2 3.32Å; L202-H213 WeakPolarHBondContact CD1-NE2 3.41Å
203K87.1Confident87.7Confident160 Ų16078.1 Ų78.170%0.69636%0.359SS*.SBendtrans-80.8-32.5175.4-64.3-175.9178.5-177.80112.6C192C192-K203 PolarHBondContact N-O 3.03Å
204R89.3Confident87.6Confident176 Ų17675.3 Ų75.366%0.66434%0.343SS*.EExtended strand (participates in β ladder)trans-151.3142.2179.458.6180163.5144.6-3.5109.5V190V190-R204 VanDerWaalsContact O-CA 3.32Å; V190-R204 WeakPolarHBondContact O-CA 3.3Å
205F90.9Very high87.4Confident10 Ų1075.8 Ų75.84%0.04434%0.343CS..EExtended strand (participates in β ladder)trans-148.7165.2170.365.1-93.6000111.1F189 V190 C192 W196 F200 L202 M207 V210F189-F205 WeakPolarHBondContact CA-O 3.47Å; V190-F205 PolarHBondContact N-O 3.23Å; V190-F205 PolarHBondContact O-N 3.2Å; V190-F205 VanDerWaalsContact O-N 3.07Å; C192-F205 WeakPolarHBondContact SG-CD1 3.48Å; C192-F205 WeakPolarHBondContact SG-CE1 3.28Å; W196-F205 AromaticContact CE3-CE1 3.71Å; W196-F205 HydrophobicContact CE3-CE1 3.71Å; W196-F205 AromaticContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CE3-CZ 3.54Å; W196-F205 HydrophobicContact CZ3-CE1 4.08Å; W196-F205 HydrophobicContact CZ3-CE2 4.33Å; W196-F205 AromaticContact CZ3-CZ 3.44Å; W196-F205 HydrophobicContact CZ3-CZ 3.44Å; W196-F205 VanDerWaalsContact CZ3-CZ 3.44Å; F200-F205 HydrophobicContact CD2-CD1 4.5Å; F200-F205 AromaticContact CD2-CE1 3.59Å; F200-F205 HydrophobicContact CD2-CE1 3.59Å; F200-F205 AromaticContact CD2-CZ 3.96Å; F200-F205 HydrophobicContact CD2-CZ 3.96Å; F200-F205 AromaticContact CE2-CE1 3.99Å; F200-F205 HydrophobicContact CE2-CE1 3.99Å; F200-F205 AromaticContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CE2-CZ 3.88Å; F200-F205 HydrophobicContact CG-CE1 4.44Å; L202-F205 HydrophobicContact CB-CD1 4.45Å; F205-M207 HydrophobicContact CE2-SD 4.35Å; F205-V210 HydrophobicContact CE2-CB 3.82Å; F205-V210 HydrophobicContact CE2-CG2 3.82Å; F205-V210 HydrophobicContact CZ-CB 4.47Å; F205-V210 HydrophobicContact CZ-CG2 3.98Å
206R91.3Very high87.2Confident130 Ų13083.3 Ų83.349%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-79.4124.6177.3-169.9163.967.1114.8-3.1109.9Q188 F189 F208 G209Q188-R206 HydrophobicContact CB-CG 4.35Å; Q188-R206 CarbonylContact O-C 3.08Å; Q188-R206 WeakPolarHBondContact O-CA 3.35Å; Q188-R206 WeakPolarHBondContact O-CG 3.37Å; F189-R206 HydrophobicContact CD1-CB 4.44Å; F189-R206 HydrophobicContact CE1-CB 4.34Å; R206-F208 VanDerWaalsContact C-N 3.27Å; R206-F208 PolarHBondContact O-N 3.1Å; R206-G209 WeakPolarHBondContact O-CA 3.42Å; R206-G209 PolarHBondContact O-N 3.38Å
207M90Very high86.9Confident2 Ų284.4 Ų84.41%0.0137%0.372CS..G310 helixtrans-57.1-39.7-171.2-171.252.6177.500113.3F172 W173 A176 F182 Q188 V190 W196 F205 G209 V210F172-M207 VanDerWaalsContact C-CE 3.49Å; F172-M207 HydrophobicContact CB-CE 4.37Å; F172-M207 VanDerWaalsContact O-CE 3.27Å; F172-M207 WeakPolarHBondContact O-CE 3.39Å; W173-M207 HydrophobicContact CB-CE 4.06Å; W173-M207 HydrophobicContact CD2-CE 3.62Å; W173-M207 HydrophobicContact CD2-CG 3.87Å; W173-M207 HydrophobicContact CE3-CE 4.06Å; W173-M207 HydrophobicContact CE3-CG 3.86Å; W173-M207 HydrophobicContact CG-CE 3.6Å; W173-M207 HydrophobicContact CH2-CB 4.05Å; W173-M207 HydrophobicContact CH2-CG 3.57Å; W173-M207 HydrophobicContact CZ2-CB 4.2Å; W173-M207 HydrophobicContact CZ2-CG 3.56Å; W173-M207 HydrophobicContact CZ3-CB 4.48Å; W173-M207 HydrophobicContact CZ3-CG 3.71Å; A176-M207 HydrophobicContact CB-CE 3.67Å; A176-M207 HydrophobicContact CB-SD 4.3Å; F182-M207 HydrophobicContact CE1-CB 3.85Å; F182-M207 HydrophobicContact CE1-CG 3.78Å; F182-M207 HydrophobicContact CZ-CG 4Å; Q188-M207 PolarHBondContact O-N 2.98Å; V190-M207 HydrophobicContact CG2-CB 3.82Å; V190-M207 HydrophobicContact CG2-CG 4.05Å; V190-M207 HydrophobicContact CG2-SD 3.78Å; W196-M207 HydrophobicContact CH2-CE 4.19Å; W196-M207 HydrophobicContact CH2-SD 4.32Å; W196-M207 HydrophobicContact CZ3-SD 4.32Å; F205-M207 HydrophobicContact CE2-SD 4.35Å; M207-G209 PolarHBondContact O-N 3.01Å; M207-G209 VanDerWaalsContact O-N 3.08Å; M207-V210 VanDerWaalsContact O-CB 3.31Å; M207-V210 WeakPolarHBondContact O-CB 3.44Å; M207-V210 WeakPolarHBondContact O-CG1 3.42Å; M207-V210 PolarHBondContact O-N 3.28Å; M207-V210 HydrophobicContact SD-CB 4.39Å
208F88.4Confident86.8Confident162 Ų16281.8 Ų81.871%0.71136%0.36SS*.G310 helixtrans-58.8-24.1175.2-170.1-104.2000113.6R206R206-F208 VanDerWaalsContact C-N 3.27Å; R206-F208 PolarHBondContact O-N 3.1Å
209G87.5Confident86.4Confident24 Ų2478.3 Ų78.325%0.24735%0.353CS..G310 helixtrans-87.71.7176.700000114.9R206 M207 A211 K212 H213R206-G209 WeakPolarHBondContact O-CA 3.42Å; R206-G209 PolarHBondContact O-N 3.38Å; M207-G209 PolarHBondContact O-N 3.01Å; M207-G209 VanDerWaalsContact O-N 3.08Å; G209-A211 PolarHBondContact O-N 3.27Å; G209-K212 WeakPolarHBondContact O-CB 3.4Å; G209-K212 PolarHBondContact O-N 3.35Å; G209-H213 PolarHBondContact O-ND1 3.45Å
210V88.2Confident85.4Confident1 Ų183.8 Ų83.81%0.00641%0.411CS..Hα-helixtrans-55-38.1-17672.70000112.2V169 F172 F200 F205 M207 K212 H213 L214V169-V210 HydrophobicContact CG1-CG1 4.19Å; V169-V210 HydrophobicContact CG2-CG1 4.39Å; F172-V210 HydrophobicContact CB-CG2 4.2Å; F172-V210 HydrophobicContact CD1-CG2 4.19Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F200-V210 HydrophobicContact CE2-CG2 4.33Å; F200-V210 HydrophobicContact CZ-CG2 4.05Å; F205-V210 HydrophobicContact CE2-CB 3.82Å; F205-V210 HydrophobicContact CE2-CG2 3.82Å; F205-V210 HydrophobicContact CZ-CB 4.47Å; F205-V210 HydrophobicContact CZ-CG2 3.98Å; M207-V210 VanDerWaalsContact O-CB 3.31Å; M207-V210 WeakPolarHBondContact O-CB 3.44Å; M207-V210 WeakPolarHBondContact O-CG1 3.42Å; M207-V210 PolarHBondContact O-N 3.28Å; M207-V210 HydrophobicContact SD-CB 4.39Å; V210-K212 PolarHBondContact O-N 3.49Å; V210-K212 VanDerWaalsContact O-N 3.08Å; V210-H213 PolarHBondContact O-N 3.01Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 HydrophobicContact CG2-CD1 4.23Å; V210-L214 HydrophobicContact CG2-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 3.07Å
211A87.4Confident85.4Confident28 Ų2887.2 Ų87.223%0.23143%0.429CS..Hα-helixtrans-55.3-32.4178.300000113.2R165 V169 G209 K215R165-A211 PolarHBondContact NH2-O 3.36Å; V169-A211 HydrophobicContact CG2-CB 3.9Å; G209-A211 PolarHBondContact O-N 3.27Å; A211-K215 PolarHBondContact O-N 2.99Å
212K86.6Confident85.4Confident167 Ų16784.7 Ų84.773%0.72641%0.413SS*.Hα-helixtrans-65.8-40.4178.2-172.9179.5178-178.30111.4G209 V210 K215G209-K212 WeakPolarHBondContact O-CB 3.4Å; G209-K212 PolarHBondContact O-N 3.35Å; V210-K212 PolarHBondContact O-N 3.49Å; V210-K212 VanDerWaalsContact O-N 3.08Å; K212-K215 WeakPolarHBondContact O-CB 3.08Å; K212-K215 PolarHBondContact O-N 3.49Å
213H86Confident85.4Confident42 Ų4286.1 Ų86.119%0.19442%0.419CS..Hα-helixtrans-74.5-40-179.7-52.594.6000110.8F200 L202 G209 V210 K215 R216F200-H213 HydrophobicContact CB-CB 4.47Å; F200-H213 HydrophobicContact CD1-CB 3.33Å; F200-H213 HydrophobicContact CE1-CB 3.6Å; F200-H213 HydrophobicContact CG-CB 3.99Å; F200-H213 HydrophobicContact CZ-CB 4.46Å; L202-H213 WeakPolarHBondContact CD1-CD2 3.32Å; L202-H213 WeakPolarHBondContact CD1-NE2 3.41Å; G209-H213 PolarHBondContact O-ND1 3.45Å; V210-H213 PolarHBondContact O-N 3.01Å; H213-K215 PolarHBondContact O-N 2.83Å; H213-R216 PolarHBondContact O-N 3.15Å; H213-R216 VanDerWaalsContact O-N 3.08Å
214L86.5Confident85.3Confident1 Ų181.7 Ų81.71%0.00540%0.402CS..Hα-helixtrans-57.6-31.4173.8-65.7172.4000113M154 L168 V169 F172 F200 V210 R216 H217 I218M154-L214 HydrophobicContact CE-CD2 3.73Å; M154-L214 HydrophobicContact SD-CD2 4.25Å; L168-L214 HydrophobicContact CB-CD1 3.99Å; V169-L214 HydrophobicContact CG2-CD1 3.76Å; F172-L214 HydrophobicContact CD2-CD1 4.39Å; F172-L214 HydrophobicContact CD2-CD2 3.82Å; F172-L214 HydrophobicContact CE2-CD2 3.5Å; F172-L214 HydrophobicContact CZ-CD2 4Å; F200-L214 HydrophobicContact CE1-CD2 3.91Å; F200-L214 HydrophobicContact CE1-CG 4.35Å; F200-L214 HydrophobicContact CZ-CD2 3.82Å; F200-L214 HydrophobicContact CZ-CG 4.37Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 HydrophobicContact CG2-CD1 4.23Å; V210-L214 HydrophobicContact CG2-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.33Å; V210-L214 PolarHBondContact O-N 3.07Å; L214-R216 PolarHBondContact O-N 3.26Å; L214-R216 VanDerWaalsContact O-N 3.08Å; L214-H217 PolarHBondContact O-N 3.3Å; L214-I218 HydrophobicContact CB-CD1 4.34Å; L214-I218 WeakPolarHBondContact O-CD1 3.48Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.18Å
215K83.4Confident85Confident150 Ų15075.8 Ų75.865%0.65239%0.386SS*.THydrogen-bonded Turntrans-56.3-27.8177.7-165.1178.3175.9-176.20112.9A211 K212 H213 H217A211-K215 PolarHBondContact O-N 2.99Å; K212-K215 WeakPolarHBondContact O-CB 3.08Å; K212-K215 PolarHBondContact O-N 3.49Å; H213-K215 PolarHBondContact O-N 2.83Å; K215-H217 VanDerWaalsContact C-N 3.35Å
216R83.3Confident84.6Confident225 Ų22580.2 Ų80.285%0.84941%0.409SS*.THydrogen-bonded Turntrans-75.8-23.7179.5-64.1-171.3174.4-161.6-2.4113.6H213 L214H213-R216 PolarHBondContact O-N 3.15Å; H213-R216 VanDerWaalsContact O-N 3.08Å; L214-R216 PolarHBondContact O-N 3.26Å; L214-R216 VanDerWaalsContact O-N 3.08Å
217H82.1Confident84.2Confident24 Ų2476.6 Ų76.611%0.11140%0.403CS..THydrogen-bonded Turntrans-104.22.4-177.4-64-84.4000112.9S151 E153 M154 L199 L214 K215S151-H217 PolarHBondContact N-O 3.13Å; S151-H217 WeakPolarHBondContact OG-CB 3.46Å; S151-H217 PolarHBondContact OG-ND1 3.39Å; S151-H217 PolarHBondContact OG-O 3.39Å; E153-H217 IonicContact OE2-CE1 3.88Å; M154-H217 HydrophobicContact CB-CB 4.18Å; M154-H217 HydrophobicContact CE-CB 3.63Å; M154-H217 HydrophobicContact CG-CB 4.43Å; L199-H217 PolarHBondContact O-CE1 2.96Å; L199-H217 PolarHBondContact O-NE2 3.04Å; L214-H217 PolarHBondContact O-N 3.3Å; K215-H217 VanDerWaalsContact C-N 3.35Å
218I84.6Confident83.7Confident24 Ų2482.4 Ų82.412%0.12343%0.433CS..EExtended strand (participates in β ladder)trans-97.2115.3174.9-67.6165.6000106.8L148 L150 R165 L168 L214L148-I218 HydrophobicContact CB-CG2 3.49Å; L148-I218 VanDerWaalsContact CB-CG2 3.49Å; L148-I218 HydrophobicContact CD1-CG2 3.88Å; L148-I218 HydrophobicContact CD2-CG2 3.76Å; L148-I218 HydrophobicContact CG-CG2 3.89Å; L150-I218 HydrophobicContact CD2-CG1 4.3Å; R165-I218 HydrophobicContact CB-CD1 4.42Å; R165-I218 HydrophobicContact CG-CD1 4.18Å; L168-I218 HydrophobicContact CD1-CD1 3.62Å; L168-I218 HydrophobicContact CD1-CG1 3.67Å; L214-I218 HydrophobicContact CB-CD1 4.34Å; L214-I218 WeakPolarHBondContact O-CD1 3.48Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.18Å
219I79.1Confident83.3Confident101 Ų10175.8 Ų75.852%0.51841%0.41SS..EExtended strand (participates in β ladder)trans-91.2103.4173.9-57.2166.6000105.1T149T149-I219 PolarHBondContact N-O 3.16Å; T149-I219 CarbonylContact O-C 3.57Å; T149-I219 PolarHBondContact O-N 3.16Å; T149-I219 PolarHBondContact OG1-O 3.33Å
220G65Low82.9Confident122 Ų12280.5 Ų80.5100%1.25843%0.425SS*.  trans170.10-178.400000114.9

Retrieved 220 of 220 residues in 442.6 ms (Link to these results)