A0A087XG69_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B12b

AlphaFold DB , UniProt , Accession A0A087XG69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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
1M58.8Low81.2Confident217 Ų21799.4 Ų99.4100%1.06947%0.472SS*.  0-24.60-84-176.5-9400112.5
2E59.6Low82.2Confident158 Ų15892.3 Ų92.374%0.73844%0.439SS*.Hα-helixtrans-67.4-34.9-178.9-67.1165.7166.600114.4N4 R5 D6E2-N4 VanDerWaalsContact C-N 3.28Å; E2-N4 PolarHBondContact O-N 2.75Å; E2-R5 WeakPolarHBondContact O-CA 3.38Å; E2-R5 VanDerWaalsContact O-CB 3.29Å; E2-R5 WeakPolarHBondContact O-CB 3.3Å; E2-R5 PolarHBondContact O-N 3.32Å; E2-D6 PolarHBondContact O-N 2.72Å; E2-D6 VanDerWaalsContact O-N 3.14Å
3V68.9Low83.1Confident113 Ų11393.8 Ų93.869%0.68545%0.451SS*.Hα-helixtrans-59.4-34.8-178.8-177.10000113.6R5 E7V3-R5 VanDerWaalsContact C-N 3.31Å; V3-E7 PolarHBondContact O-N 3.44Å
4N79.6Confident83.7Confident90 Ų9092.6 Ų92.648%0.48145%0.447SS..Hα-helixtrans-74.2-25.3178.1-69.1-7.9000112.1E2 A8E2-N4 VanDerWaalsContact C-N 3.28Å; E2-N4 PolarHBondContact O-N 2.75Å; N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.46Å
5R85.2Confident84.3Confident133 Ų13386.4 Ų86.450%0.50242%0.417SS..Hα-helixtrans-73.9-45176.3-177.8-178.1173.7170.31.3110.8E2 V3 E7 A8 E9 F38E2-R5 WeakPolarHBondContact O-CA 3.38Å; E2-R5 VanDerWaalsContact O-CB 3.29Å; E2-R5 WeakPolarHBondContact O-CB 3.3Å; E2-R5 PolarHBondContact O-N 3.32Å; V3-R5 VanDerWaalsContact C-N 3.31Å; R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 PolarHBondContact O-N 2.89Å; R5-A8 PolarHBondContact O-N 2.97Å; R5-E9 IonicContact NE-OE1 3.95Å; R5-E9 WeakPolarHBondContact O-CG 3.42Å; R5-E9 PolarHBondContact O-N 3.37Å; R5-F38 HydrophobicContact CB-CD1 4.29Å; R5-F38 HydrophobicContact CB-CG 4.43Å; R5-F38 HydrophobicContact CG-CD1 4.1Å; R5-F38 HydrophobicContact CG-CE1 4.13Å
6D85.9Confident84.6Confident87 Ų8783.2 Ų83.247%0.46541%0.409SS..Hα-helixtrans-62.6-38.3178-59.7-25.2000111.8E2 E9 R10E2-D6 PolarHBondContact O-N 2.72Å; E2-D6 VanDerWaalsContact O-N 3.14Å; D6-E9 PolarHBondContact O-N 3.03Å; D6-R10 WeakPolarHBondContact O-CG 3.38Å; D6-R10 PolarHBondContact O-N 3.13Å
7E87.8Confident85Confident65 Ų6581.1 Ų81.130%0.30441%0.408SS..Hα-helixtrans-70.1-35.4176.7-16963.1-168.700112.6V3 R5 R10 C11 L37V3-E7 PolarHBondContact O-N 3.44Å; R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 PolarHBondContact O-N 2.89Å; E7-R10 IonicContact OE2-CZ 3.27Å; E7-R10 IonicContact OE2-NE 3.56Å; E7-R10 PolarHBondContact OE2-NE 3.01Å; E7-R10 IonicContact OE2-NH2 3.94Å; E7-R10 PolarHBondContact OE2-NH2 2.81Å; E7-C11 PolarHBondContact O-N 3.31Å; E7-C11 VanDerWaalsContact O-N 3.11Å; E7-C11 PolarHBondContact O-SG 3.03Å; E7-L37 HydrophobicContact CB-CD1 4.46Å; E7-L37 HydrophobicContact CG-CD1 3.88Å
8A90.6Very high85.3Confident0 Ų076.8 Ų76.80%039%0.388CS..Hα-helixtrans-66.6-41.5173.300000111.4N4 R5 C11 I12 L37 F38N4-A8 WeakPolarHBondContact O-CB 3.28Å; N4-A8 PolarHBondContact O-N 3.46Å; R5-A8 PolarHBondContact O-N 2.97Å; A8-C11 PolarHBondContact O-N 3.23Å; A8-I12 VanDerWaalsContact O-CG1 3.31Å; A8-I12 WeakPolarHBondContact O-CG1 3.38Å; A8-I12 PolarHBondContact O-N 3.47Å; A8-I12 VanDerWaalsContact O-N 3.07Å; A8-L37 HydrophobicContact CB-CB 4.33Å; A8-F38 HydrophobicContact CB-CB 3.72Å
9E91.2Very high85.4Confident77 Ų7775.3 Ų75.336%0.3638%0.38SS..Hα-helixtrans-62.2-43.6175.4-72.7-175.7-174.700111.7R5 D6 C11 I12 D13R5-E9 IonicContact NE-OE1 3.95Å; R5-E9 WeakPolarHBondContact O-CG 3.42Å; R5-E9 PolarHBondContact O-N 3.37Å; D6-E9 PolarHBondContact O-N 3.03Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 3.38Å; E9-I12 WeakPolarHBondContact O-CB 3.4Å; E9-I12 PolarHBondContact O-N 3.39Å; E9-I12 VanDerWaalsContact O-N 3.09Å; E9-D13 PolarHBondContact O-N 3.32Å
10R92.3Very high85.6Confident150 Ų15080.4 Ų80.457%0.56640%0.4SS*.Hα-helixtrans-59.3-39.8173.2-73.8-165.5-73.2-154-5113.1D6 E7 I12 D13 I14D6-R10 WeakPolarHBondContact O-CG 3.38Å; D6-R10 PolarHBondContact O-N 3.13Å; E7-R10 IonicContact OE2-CZ 3.27Å; E7-R10 IonicContact OE2-NE 3.56Å; E7-R10 PolarHBondContact OE2-NE 3.01Å; E7-R10 IonicContact OE2-NH2 3.94Å; E7-R10 PolarHBondContact OE2-NH2 2.81Å; R10-I12 VanDerWaalsContact C-N 3.31Å; R10-I12 PolarHBondContact O-N 3.21Å; R10-D13 PolarHBondContact O-N 3.47Å; R10-I14 VanDerWaalsContact O-CG1 3.3Å; R10-I14 WeakPolarHBondContact O-CG1 3.47Å; R10-I14 PolarHBondContact O-N 3.12Å; R10-I14 VanDerWaalsContact O-N 3.15Å
11C93.1Very high85.8Confident3 Ų382.2 Ų82.22%0.0241%0.41CS..Hα-helixtrans-65-35.7176.4-700000112E7 A8 E9 A15 A34E7-C11 PolarHBondContact O-N 3.31Å; E7-C11 VanDerWaalsContact O-N 3.11Å; E7-C11 PolarHBondContact O-SG 3.03Å; A8-C11 PolarHBondContact O-N 3.23Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 3.38Å; C11-A15 WeakPolarHBondContact O-CB 3.21Å; C11-A15 PolarHBondContact O-N 2.67Å; C11-A34 HydrophobicContact CB-CB 3.87Å
12I93Very high87.2Confident14 Ų1480.1 Ų80.17%0.07240%0.397CS..Hα-helixtrans-67.4-41.8176.6-66.3164000111A8 E9 R10 I14 A15 A16 A34 T40 K42 A43 L46A8-I12 VanDerWaalsContact O-CG1 3.31Å; A8-I12 WeakPolarHBondContact O-CG1 3.38Å; A8-I12 PolarHBondContact O-N 3.47Å; A8-I12 VanDerWaalsContact O-N 3.07Å; E9-I12 WeakPolarHBondContact O-CB 3.4Å; E9-I12 PolarHBondContact O-N 3.39Å; E9-I12 VanDerWaalsContact O-N 3.09Å; R10-I12 VanDerWaalsContact C-N 3.31Å; R10-I12 PolarHBondContact O-N 3.21Å; I12-I14 PolarHBondContact O-N 3.48Å; I12-A15 WeakPolarHBondContact O-CB 3.16Å; I12-A15 PolarHBondContact O-N 3.19Å; I12-A16 WeakPolarHBondContact O-CB 3.38Å; I12-A16 PolarHBondContact O-N 3.06Å; I12-A34 HydrophobicContact CD1-CB 4.46Å; I12-A34 HydrophobicContact CG1-CB 3.9Å; I12-T40 WeakPolarHBondContact CD1-OG1 3.38Å; I12-K42 HydrophobicContact CD1-CB 4.44Å; I12-A43 HydrophobicContact CD1-CB 3.94Å; I12-A43 HydrophobicContact CG1-CB 4Å; I12-L46 HydrophobicContact CG2-CD1 4Å
13D94Very high88.6Confident112 Ų11276.9 Ų76.960%0.59938%0.382SS*.Hα-helixtrans-63.9-41.5178-70.5-25.9000112.3E9 R10 A15 A16 A17E9-D13 PolarHBondContact O-N 3.32Å; R10-D13 PolarHBondContact O-N 3.47Å; D13-A15 VanDerWaalsContact C-N 3.32Å; D13-A15 PolarHBondContact O-N 2.85Å; D13-A16 PolarHBondContact O-N 3.44Å; D13-A17 PolarHBondContact O-N 2.9Å
14I92.4Very high89.4Confident77 Ų7773.6 Ų73.640%0.39536%0.363SS..Hα-helixtrans-63.6-40.7175.4-66166.2000110.5R10 I12 A17 A18 F30R10-I14 VanDerWaalsContact O-CG1 3.3Å; R10-I14 WeakPolarHBondContact O-CG1 3.47Å; R10-I14 PolarHBondContact O-N 3.12Å; R10-I14 VanDerWaalsContact O-N 3.15Å; I12-I14 PolarHBondContact O-N 3.48Å; I14-A17 PolarHBondContact O-N 3.35Å; I14-A18 WeakPolarHBondContact O-CB 3.34Å; I14-A18 PolarHBondContact O-N 3.5Å; I14-F30 HydrophobicContact CD1-CE1 4.47Å; I14-F30 HydrophobicContact CG2-CD1 4.17Å; I14-F30 HydrophobicContact CG2-CD2 3.75Å; I14-F30 HydrophobicContact CG2-CE1 4.16Å; I14-F30 HydrophobicContact CG2-CE2 3.78Å; I14-F30 HydrophobicContact CG2-CG 3.99Å; I14-F30 HydrophobicContact CG2-CZ 3.99Å
15A91.9Very high89.7Confident0 Ų075.1 Ų75.10%037%0.367CS..Hα-helixtrans-65.3-42.7176.200000112.1C11 I12 D13 A17 A18 L19 A27 F30 L31C11-A15 WeakPolarHBondContact O-CB 3.21Å; C11-A15 PolarHBondContact O-N 2.67Å; I12-A15 WeakPolarHBondContact O-CB 3.16Å; I12-A15 PolarHBondContact O-N 3.19Å; D13-A15 VanDerWaalsContact C-N 3.32Å; D13-A15 PolarHBondContact O-N 2.85Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 2.84Å; A15-A18 PolarHBondContact O-N 2.98Å; A15-L19 WeakPolarHBondContact O-CG 3.42Å; A15-L19 PolarHBondContact O-N 2.67Å; A15-A27 HydrophobicContact CB-CB 4.26Å; A15-F30 HydrophobicContact CB-CB 4.05Å; A15-L31 HydrophobicContact CB-CD1 4.23Å; A15-L31 HydrophobicContact CB-CD2 3.79Å; A15-L31 HydrophobicContact CB-CG 3.6Å
16A89.2Confident89.8Confident35 Ų3573.6 Ų73.629%0.28936%0.364SS..Hα-helixtrans-62.3-39.9176.100000112I12 D13 L19 K20I12-A16 WeakPolarHBondContact O-CB 3.38Å; I12-A16 PolarHBondContact O-N 3.06Å; D13-A16 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.18Å; A16-K20 WeakPolarHBondContact O-CG 3.41Å; A16-K20 PolarHBondContact O-N 3.25Å
17A91.3Very high90Very high47 Ų4769.5 Ų69.539%0.38834%0.342SS..Hα-helixtrans-64.8-39.3173.500000112.3D13 I14 A15 L19 K20 I21D13-A17 PolarHBondContact O-N 2.9Å; I14-A17 PolarHBondContact O-N 3.35Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 2.84Å; A17-L19 VanDerWaalsContact C-N 3.35Å; A17-K20 PolarHBondContact O-N 3.12Å; A17-I21 WeakPolarHBondContact O-CG1 3.28Å; A17-I21 PolarHBondContact O-N 3.44Å
18A90.9Very high90.1Very high5 Ų567.2 Ų67.24%0.04133%0.332CS..Hα-helixtrans-65.8-35.6176.200000112.6I14 A15 I21 H22 Q23 K26 A27I14-A18 WeakPolarHBondContact O-CB 3.34Å; I14-A18 PolarHBondContact O-N 3.5Å; A15-A18 PolarHBondContact O-N 2.98Å; A18-I21 CarbonylContact O-C 3.59Å; A18-I21 PolarHBondContact O-N 2.93Å; A18-H22 PolarHBondContact O-N 3.27Å; A18-Q23 HydrophobicContact CB-CB 4.43Å; A18-Q23 PolarHBondContact O-N 3.25Å; A18-K26 HydrophobicContact CB-CB 4.32Å; A18-K26 HydrophobicContact CB-CD 4.4Å; A18-K26 HydrophobicContact CB-CG 4.38Å; A18-A27 HydrophobicContact CB-CB 4.15Å
19L87.1Confident90Very high48 Ų4876 Ų7625%0.25137%0.365SS..Hα-helixtrans-65.5-36.4174.1-69.8174.8000112.6A15 A16 A17 I21 H22 A27 L46 I50A15-L19 WeakPolarHBondContact O-CG 3.42Å; A15-L19 PolarHBondContact O-N 2.67Å; A16-L19 PolarHBondContact O-N 3.18Å; A17-L19 VanDerWaalsContact C-N 3.35Å; L19-I21 PolarHBondContact O-N 2.98Å; L19-H22 PolarHBondContact O-N 3.42Å; L19-H22 VanDerWaalsContact O-N 3.15Å; L19-A27 HydrophobicContact CD1-CB 4.46Å; L19-A27 HydrophobicContact CD2-CB 3.64Å; L19-A27 HydrophobicContact CG-CB 3.67Å; L19-L46 HydrophobicContact CD1-CD2 4.17Å; L19-I50 HydrophobicContact CD1-CD1 4.31Å; L19-I50 HydrophobicContact CD1-CG1 4.47Å; L19-I50 HydrophobicContact CD2-CD1 3.9Å; L19-I50 HydrophobicContact CD2-CG1 3.88Å
20K89.5Confident90.1Very high177 Ų17775 Ų7577%0.7736%0.359SS*.Hα-helixtrans-64-26.6174.2-68.1179.5-176.2-178.40113.2A16 A17 H22A16-K20 WeakPolarHBondContact O-CG 3.41Å; A16-K20 PolarHBondContact O-N 3.25Å; A17-K20 PolarHBondContact O-N 3.12Å; K20-H22 VanDerWaalsContact C-N 3.34Å
21I90.4Very high90.1Very high118 Ų11867.9 Ų67.961%0.60533%0.332SS*.THydrogen-bonded Turntrans-98.514.1-179.6-52.2164.2000110.4A17 A18 L19 Q23A17-I21 WeakPolarHBondContact O-CG1 3.28Å; A17-I21 PolarHBondContact O-N 3.44Å; A18-I21 CarbonylContact O-C 3.59Å; A18-I21 PolarHBondContact O-N 2.93Å; L19-I21 PolarHBondContact O-N 2.98Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 3.49Å
22H87.4Confident90Very high173 Ų17370.9 Ų70.980%0.80135%0.346SS*.THydrogen-bonded Turntrans56.336.9-179.1-61.8-74.6000114.7A18 L19 K20 P24A18-H22 PolarHBondContact O-N 3.27Å; L19-H22 PolarHBondContact O-N 3.42Å; L19-H22 VanDerWaalsContact O-N 3.15Å; K20-H22 VanDerWaalsContact C-N 3.34Å; H22-P24 VanDerWaalsContact C-CD 3.44Å; H22-P24 WeakPolarHBondContact O-CD 3.33Å
23Q88.6Confident90Very high91 Ų9174.9 Ų74.943%0.42536%0.363SS..  trans-109.576.7175-66.9-172.9-500112A18 I21 E25 K26 A27A18-Q23 HydrophobicContact CB-CB 4.43Å; A18-Q23 PolarHBondContact O-N 3.25Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 3.49Å; Q23-E25 PolarHBondContact O-N 3.24Å; Q23-K26 HydrophobicContact CB-CB 4.22Å; Q23-K26 PolarHBondContact O-N 3.48Å; Q23-A27 PolarHBondContact O-N 3.3Å
24P86.1Confident89.9Confident43 Ų4369.6 Ų69.628%0.27934%0.335SS..Hα-helixtrans-67-33.7-175.227.3-34.9000113.4H22 K26 A27 L28 I50 F55H22-P24 VanDerWaalsContact C-CD 3.44Å; H22-P24 WeakPolarHBondContact O-CD 3.33Å; P24-K26 VanDerWaalsContact C-N 3.35Å; P24-K26 PolarHBondContact O-N 3.33Å; P24-A27 PolarHBondContact O-N 3.27Å; P24-L28 WeakPolarHBondContact O-CG 3.49Å; P24-L28 PolarHBondContact O-N 2.84Å; P24-I50 HydrophobicContact CB-CG2 4.4Å; P24-F55 HydrophobicContact CB-CD2 4.33Å; P24-F55 HydrophobicContact CB-CG 4.45Å; P24-F55 HydrophobicContact CG-CD2 4.03Å; P24-F55 HydrophobicContact CG-CE2 4.24Å
25E85.2Confident89.7Confident123 Ų12367.6 Ų67.658%0.57532%0.324SS*.Hα-helixtrans-61.6-42.3177.9-70.4-174.9-177.500113Q23 R29 F55Q23-E25 PolarHBondContact O-N 3.24Å; E25-R29 WeakPolarHBondContact O-CG 3.48Å; E25-R29 PolarHBondContact O-N 3.42Å; E25-F55 HydrophobicContact CG-CE1 4.33Å; E25-F55 HydrophobicContact CG-CE2 3.88Å; E25-F55 HydrophobicContact CG-CZ 3.42Å; E25-F55 VanDerWaalsContact CG-CZ 3.42Å
26K88.4Confident89.6Confident101 Ų10177.6 Ų77.644%0.43936%0.362SS..Hα-helixtrans-68.8-44177.7-171.5177.2179.1-177.40109.8A18 Q23 P24 L28 R29 F30A18-K26 HydrophobicContact CB-CB 4.32Å; A18-K26 HydrophobicContact CB-CD 4.4Å; A18-K26 HydrophobicContact CB-CG 4.38Å; Q23-K26 HydrophobicContact CB-CB 4.22Å; Q23-K26 PolarHBondContact O-N 3.48Å; P24-K26 VanDerWaalsContact C-N 3.35Å; P24-K26 PolarHBondContact O-N 3.33Å; K26-L28 PolarHBondContact O-N 3.44Å; K26-R29 PolarHBondContact O-N 3.4Å; K26-F30 HydrophobicContact CG-CD2 3.99Å; K26-F30 HydrophobicContact CG-CE2 3.81Å; K26-F30 WeakPolarHBondContact O-CD2 3.48Å; K26-F30 PolarHBondContact O-N 3.49Å
27A89.8Confident89.6Confident0 Ų078.8 Ų78.80%036%0.363CS..Hα-helixtrans-57.8-45.5176.300000112.1A15 A18 L19 Q23 P24 R29 F30 L31 I50A15-A27 HydrophobicContact CB-CB 4.26Å; A18-A27 HydrophobicContact CB-CB 4.15Å; L19-A27 HydrophobicContact CD1-CB 4.46Å; L19-A27 HydrophobicContact CD2-CB 3.64Å; L19-A27 HydrophobicContact CG-CB 3.67Å; Q23-A27 PolarHBondContact O-N 3.3Å; P24-A27 PolarHBondContact O-N 3.27Å; A27-R29 PolarHBondContact O-N 3.33Å; A27-F30 PolarHBondContact O-N 3.01Å; A27-L31 WeakPolarHBondContact O-CB 3.25Å; A27-L31 VanDerWaalsContact O-CG 3.25Å; A27-L31 WeakPolarHBondContact O-CG 3.49Å; A27-L31 PolarHBondContact O-N 3.18Å; A27-I50 HydrophobicContact CB-CD1 4.14Å
28L89.6Confident89.5Confident17 Ų1780.5 Ų80.59%0.08936%0.362CS..Hα-helixtrans-58.7-47.4178.4-76.9172.7000113.1P24 K26 F30 L31 E32 L47 I50 F55P24-L28 WeakPolarHBondContact O-CG 3.49Å; P24-L28 PolarHBondContact O-N 2.84Å; K26-L28 PolarHBondContact O-N 3.44Å; L28-F30 VanDerWaalsContact C-N 3.28Å; L28-F30 PolarHBondContact O-N 3.5Å; L28-L31 PolarHBondContact O-N 3.11Å; L28-E32 PolarHBondContact O-N 3.27Å; L28-L47 HydrophobicContact CD2-CD2 3.55Å; L28-I50 HydrophobicContact CD1-CG2 3.94Å; L28-I50 HydrophobicContact CD2-CB 4.08Å; L28-I50 HydrophobicContact CD2-CD1 3.79Å; L28-I50 HydrophobicContact CD2-CG2 3.72Å; L28-I50 HydrophobicContact CG-CD1 4.06Å; L28-I50 HydrophobicContact CG-CG2 3.86Å; L28-F55 HydrophobicContact CD1-CD1 3.26Å; L28-F55 HydrophobicContact CD1-CE1 3.25Å; L28-F55 HydrophobicContact CD1-CG 4.41Å; L28-F55 HydrophobicContact CD1-CZ 4.41Å
29R89.6Confident89.4Confident186 Ų18684.6 Ų84.670%0.70239%0.388SS*.Hα-helixtrans-59.6-39.6179.2-71179.9179.5178.12.7112.4E25 K26 A27 K33E25-R29 WeakPolarHBondContact O-CG 3.48Å; E25-R29 PolarHBondContact O-N 3.42Å; K26-R29 PolarHBondContact O-N 3.4Å; A27-R29 PolarHBondContact O-N 3.33Å; R29-K33 WeakPolarHBondContact O-CB 3.44Å; R29-K33 PolarHBondContact O-N 3.17Å; R29-K33 VanDerWaalsContact O-N 3.12Å
30F93.6Very high89.5Confident55 Ų5583.4 Ų83.424%0.24138%0.383CS..Hα-helixtrans-74.2-34.3177.7-78.2-71.8000112.5I14 A15 K26 A27 L28 K33 A34I14-F30 HydrophobicContact CD1-CE1 4.47Å; I14-F30 HydrophobicContact CG2-CD1 4.17Å; I14-F30 HydrophobicContact CG2-CD2 3.75Å; I14-F30 HydrophobicContact CG2-CE1 4.16Å; I14-F30 HydrophobicContact CG2-CE2 3.78Å; I14-F30 HydrophobicContact CG2-CG 3.99Å; I14-F30 HydrophobicContact CG2-CZ 3.99Å; A15-F30 HydrophobicContact CB-CB 4.05Å; K26-F30 HydrophobicContact CG-CD2 3.99Å; K26-F30 HydrophobicContact CG-CE2 3.81Å; K26-F30 WeakPolarHBondContact O-CD2 3.48Å; K26-F30 PolarHBondContact O-N 3.49Å; A27-F30 PolarHBondContact O-N 3.01Å; L28-F30 VanDerWaalsContact C-N 3.28Å; L28-F30 PolarHBondContact O-N 3.5Å; F30-K33 PolarHBondContact O-N 2.97Å; F30-A34 WeakPolarHBondContact O-CB 3.31Å; F30-A34 PolarHBondContact O-N 3.39Å
31L92.3Very high89.5Confident0 Ų083 Ų830%038%0.384CS..Hα-helixtrans-70.6-41.3175.5-69.6167.6000112.6A15 A27 L28 K33 A34 Q35 A43 L46 L47 I50A15-L31 HydrophobicContact CB-CD1 4.23Å; A15-L31 HydrophobicContact CB-CD2 3.79Å; A15-L31 HydrophobicContact CB-CG 3.6Å; A27-L31 WeakPolarHBondContact O-CB 3.25Å; A27-L31 VanDerWaalsContact O-CG 3.25Å; A27-L31 WeakPolarHBondContact O-CG 3.49Å; A27-L31 PolarHBondContact O-N 3.18Å; L28-L31 PolarHBondContact O-N 3.11Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.23Å; L31-A34 WeakPolarHBondContact O-CB 3.46Å; L31-A34 PolarHBondContact O-N 3Å; L31-Q35 PolarHBondContact O-N 3Å; L31-A43 HydrophobicContact CD2-CB 4.16Å; L31-L46 HydrophobicContact CD1-CB 3.72Å; L31-L46 HydrophobicContact CD2-CB 3.85Å; L31-L46 HydrophobicContact CD2-CD1 3.84Å; L31-L46 HydrophobicContact CG-CB 4.46Å; L31-L47 HydrophobicContact CB-CD1 4.36Å; L31-L47 HydrophobicContact CB-CD2 3.5Å; L31-L47 VanDerWaalsContact CB-CD2 3.5Å; L31-L47 HydrophobicContact CB-CG 3.8Å; L31-L47 HydrophobicContact CD1-CD2 4.02Å; L31-L47 HydrophobicContact CD1-CG 4.26Å; L31-L47 HydrophobicContact CG-CD2 4.4Å; L31-I50 HydrophobicContact CD1-CD1 3.55Å
32E90.4Very high89.3Confident67 Ų6784.6 Ų84.631%0.31339%0.386SS..Hα-helixtrans-62.5-40172-76.2-178.7-172.300111.5L28 Q35 R36L28-E32 PolarHBondContact O-N 3.27Å; E32-Q35 PolarHBondContact O-N 2.92Å; E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 2.83Å
33K91.7Very high89.4Confident98 Ų9876.3 Ų76.343%0.42635%0.348SS..Hα-helixtrans-64-42.3174.1-173.1-179.1176.3-167.30111.4R29 F30 L31 R36 L37R29-K33 WeakPolarHBondContact O-CB 3.44Å; R29-K33 PolarHBondContact O-N 3.17Å; R29-K33 VanDerWaalsContact O-N 3.12Å; F30-K33 PolarHBondContact O-N 2.97Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.23Å; K33-R36 PolarHBondContact O-N 2.74Å; K33-L37 HydrophobicContact CG-CD1 4.09Å; K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.16Å; K33-L37 PolarHBondContact O-N 3.24Å
34A92.2Very high89.5Confident0 Ų076.8 Ų76.80%035%0.35CS..Hα-helixtrans-60.6-45.1175.700000111.4C11 I12 F30 L31 R36 L37 F38 A43C11-A34 HydrophobicContact CB-CB 3.87Å; I12-A34 HydrophobicContact CD1-CB 4.46Å; I12-A34 HydrophobicContact CG1-CB 3.9Å; F30-A34 WeakPolarHBondContact O-CB 3.31Å; F30-A34 PolarHBondContact O-N 3.39Å; L31-A34 WeakPolarHBondContact O-CB 3.46Å; L31-A34 PolarHBondContact O-N 3Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.47Å; A34-L37 PolarHBondContact O-N 3.34Å; A34-F38 CarbonylContact O-C 3.54Å; A34-F38 PolarHBondContact O-N 3.24Å; A34-A43 HydrophobicContact CB-CB 4.31Å
35Q89.6Confident89.6Confident35 Ų3577.6 Ų77.616%0.16436%0.36CS..Hα-helixtrans-60.4-39.1175.6-76.4-62.9-31.100113.4L31 E32 T40 A43 Q44 L47L31-Q35 PolarHBondContact O-N 3Å; E32-Q35 PolarHBondContact O-N 2.92Å; Q35-T40 PolarHBondContact NE2-O 3.37Å; Q35-A43 HydrophobicContact CG-CB 4.25Å; Q35-Q44 VanDerWaalsContact NE2-N 3.16Å; Q35-L47 HydrophobicContact CG-CD1 3.91Å
36R89.6Confident89.7Confident210 Ų21073.5 Ų73.579%0.79234%0.342SS*.Hα-helixtrans-70.3-31.3176.7-73.1178.6-178.5163.85.3113.1E32 K33 A34E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 2.83Å; K33-R36 PolarHBondContact O-N 2.74Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.47Å
37L88.7Confident89.7Confident61 Ų6170.5 Ų70.532%0.31933%0.331SS..Hα-helixtrans-80-49.7179.8-72171.3000112.1E7 A8 K33 A34E7-L37 HydrophobicContact CB-CD1 4.46Å; E7-L37 HydrophobicContact CG-CD1 3.88Å; A8-L37 HydrophobicContact CB-CB 4.33Å; K33-L37 HydrophobicContact CG-CD1 4.09Å; K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.16Å; K33-L37 PolarHBondContact O-N 3.24Å; A34-L37 PolarHBondContact O-N 3.34Å
38F89.6Confident89.5Confident82 Ų8274.8 Ų74.836%0.3635%0.353SS..SBendtrans-154.7111.2176.6-169.7-104.7000109.4R5 A8 A34 T40R5-F38 HydrophobicContact CB-CD1 4.29Å; R5-F38 HydrophobicContact CB-CG 4.43Å; R5-F38 HydrophobicContact CG-CD1 4.1Å; R5-F38 HydrophobicContact CG-CE1 4.13Å; A8-F38 HydrophobicContact CB-CB 3.72Å; A34-F38 CarbonylContact O-C 3.54Å; A34-F38 PolarHBondContact O-N 3.24Å; F38-T40 HydrophobicContact CD1-CG2 3.56Å; F38-T40 HydrophobicContact CE1-CG2 4.04Å; F38-T40 PolarHBondContact O-N 3.28Å; F38-T40 VanDerWaalsContact O-N 3.17Å
39P88.6Confident89.3Confident92 Ų9278 Ų7860%0.59737%0.371SS*.  trans-60.7119.1179.8-22.432.5000110.9
40T89.4Confident89.1Confident23 Ų2369.4 Ų69.414%0.14134%0.338CS..  trans-128.7143.7179.353.50000110.9I12 Q35 F38 K42 A43 Q44I12-T40 WeakPolarHBondContact CD1-OG1 3.38Å; Q35-T40 PolarHBondContact NE2-O 3.37Å; F38-T40 HydrophobicContact CD1-CG2 3.56Å; F38-T40 HydrophobicContact CE1-CG2 4.04Å; F38-T40 PolarHBondContact O-N 3.28Å; F38-T40 VanDerWaalsContact O-N 3.17Å; T40-K42 PolarHBondContact O-N 2.94Å; T40-A43 PolarHBondContact O-N 3.33Å; T40-A43 WeakPolarHBondContact OG1-CB 3.35Å; T40-Q44 PolarHBondContact O-N 3.47Å
41E88.6Confident88.6Confident168 Ų16869.5 Ų69.579%0.78535%0.349SS*.Hα-helixtrans-60.2-36.3176.4-64-176.7170.400111.8A43 Q44 A45E41-A43 PolarHBondContact O-N 2.95Å; E41-Q44 PolarHBondContact O-N 2.9Å; E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.02Å
42K87.3Confident88Confident151 Ų15179.5 Ų79.566%0.65739%0.387SS*.Hα-helixtrans-59.8-43.9177.3-67.3-177.5-179.5176.80112.5I12 T40 L46I12-K42 HydrophobicContact CD1-CB 4.44Å; T40-K42 PolarHBondContact O-N 2.94Å; K42-L46 WeakPolarHBondContact O-CG 3.5Å; K42-L46 PolarHBondContact O-N 2.88Å
43A88.4Confident87.3Confident0 Ų082.4 Ų82.40%041%0.405CS..Hα-helixtrans-71.3-34.5178.900000112I12 L31 A34 Q35 T40 E41 L47I12-A43 HydrophobicContact CD1-CB 3.94Å; I12-A43 HydrophobicContact CG1-CB 4Å; L31-A43 HydrophobicContact CD2-CB 4.16Å; A34-A43 HydrophobicContact CB-CB 4.31Å; Q35-A43 HydrophobicContact CG-CB 4.25Å; T40-A43 PolarHBondContact O-N 3.33Å; T40-A43 WeakPolarHBondContact OG1-CB 3.35Å; E41-A43 PolarHBondContact O-N 2.95Å; A43-L47 VanDerWaalsContact O-CG 3.29Å; A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 3.37Å; A43-L47 VanDerWaalsContact O-N 3.12Å
44Q90Very high85.7Confident101 Ų10180.9 Ų80.947%0.47242%0.417SS..Hα-helixtrans-66.1-46.3175.2-63.5-173.6-20.500111.3Q35 T40 E41 L46 L47 D48Q35-Q44 VanDerWaalsContact NE2-N 3.16Å; T40-Q44 PolarHBondContact O-N 3.47Å; E41-Q44 PolarHBondContact O-N 2.9Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 2.96Å; Q44-L47 WeakPolarHBondContact O-CB 3.34Å; Q44-L47 PolarHBondContact O-N 2.95Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; Q44-D48 PolarHBondContact O-N 3.2Å
45A88.6Confident83.9Confident59 Ų5983.7 Ų83.749%0.48843%0.429SS..Hα-helixtrans-59.3-37.4178.600000112.8E41 L49E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.02Å; A45-L49 WeakPolarHBondContact O-CB 3.28Å; A45-L49 PolarHBondContact O-N 3.14Å
46L87.1Confident82.2Confident38 Ų3887.9 Ų87.920%0.19946%0.457CS..Hα-helixtrans-72.1-36.1176.2-72.1172.7000112.8I12 L19 L31 K42 Q44 L49 I50I12-L46 HydrophobicContact CG2-CD1 4Å; L19-L46 HydrophobicContact CD1-CD2 4.17Å; L31-L46 HydrophobicContact CD1-CB 3.72Å; L31-L46 HydrophobicContact CD2-CB 3.85Å; L31-L46 HydrophobicContact CD2-CD1 3.84Å; L31-L46 HydrophobicContact CG-CB 4.46Å; K42-L46 WeakPolarHBondContact O-CG 3.5Å; K42-L46 PolarHBondContact O-N 2.88Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-I50 WeakPolarHBondContact O-CD1 3.47Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.26Å; L46-I50 VanDerWaalsContact O-N 3.11Å
47L88.4Confident80.3Confident38 Ų3880.8 Ų80.820%0.19944%0.438CS..Hα-helixtrans-63.3-44.3172.7-72.6170000111.1L28 L31 Q35 A43 Q44 L49 I50 A51L28-L47 HydrophobicContact CD2-CD2 3.55Å; L31-L47 HydrophobicContact CB-CD1 4.36Å; L31-L47 HydrophobicContact CB-CD2 3.5Å; L31-L47 VanDerWaalsContact CB-CD2 3.5Å; L31-L47 HydrophobicContact CB-CG 3.8Å; L31-L47 HydrophobicContact CD1-CD2 4.02Å; L31-L47 HydrophobicContact CD1-CG 4.26Å; L31-L47 HydrophobicContact CG-CD2 4.4Å; Q35-L47 HydrophobicContact CG-CD1 3.91Å; A43-L47 VanDerWaalsContact O-CG 3.29Å; A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 3.37Å; A43-L47 VanDerWaalsContact O-N 3.12Å; Q44-L47 WeakPolarHBondContact O-CB 3.34Å; Q44-L47 PolarHBondContact O-N 2.95Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.49Å; L47-I50 PolarHBondContact O-N 2.87Å; L47-A51 PolarHBondContact O-N 3.03Å
48D86.6Confident78Confident89 Ų8989.8 Ų89.848%0.47647%0.468SS..Hα-helixtrans-63.8-37.7177-74.4-11.8000112.2Q44 A51 R52Q44-D48 PolarHBondContact O-N 3.2Å; D48-A51 PolarHBondContact O-N 3.11Å; D48-R52 WeakPolarHBondContact O-CB 3.38Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.34Å
49L85.5Confident75.8Confident86 Ų8692.9 Ų92.945%0.4548%0.483SS..Hα-helixtrans-63.2-43.3175.9-161.3166.4000110.9A45 L46 L47 R52 N53A45-L49 WeakPolarHBondContact O-CB 3.28Å; A45-L49 PolarHBondContact O-N 3.14Å; L46-L49 PolarHBondContact O-N 2.91Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.49Å; L49-R52 PolarHBondContact O-N 3.44Å; L49-N53 WeakPolarHBondContact CD2-ND2 3.47Å; L49-N53 PolarHBondContact O-N 3.43Å; L49-N53 VanDerWaalsContact O-N 3.16Å
50I85.6Confident73.8Confident5 Ų592.4 Ų92.43%0.02650%0.495CS..Hα-helixtrans-65.8-41176.8-64.1163.8000111L19 P24 A27 L28 L31 L46 L47 N53 F55L19-I50 HydrophobicContact CD1-CD1 4.31Å; L19-I50 HydrophobicContact CD1-CG1 4.47Å; L19-I50 HydrophobicContact CD2-CD1 3.9Å; L19-I50 HydrophobicContact CD2-CG1 3.88Å; P24-I50 HydrophobicContact CB-CG2 4.4Å; A27-I50 HydrophobicContact CB-CD1 4.14Å; L28-I50 HydrophobicContact CD1-CG2 3.94Å; L28-I50 HydrophobicContact CD2-CB 4.08Å; L28-I50 HydrophobicContact CD2-CD1 3.79Å; L28-I50 HydrophobicContact CD2-CG2 3.72Å; L28-I50 HydrophobicContact CG-CD1 4.06Å; L28-I50 HydrophobicContact CG-CG2 3.86Å; L31-I50 HydrophobicContact CD1-CD1 3.55Å; L46-I50 WeakPolarHBondContact O-CD1 3.47Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.26Å; L46-I50 VanDerWaalsContact O-N 3.11Å; L47-I50 PolarHBondContact O-N 2.87Å; I50-N53 PolarHBondContact O-N 3.01Å; I50-F55 HydrophobicContact CG2-CB 3.93Å; I50-F55 HydrophobicContact CG2-CD1 4.29Å; I50-F55 HydrophobicContact CG2-CG 4.36Å
51A83.2Confident71.1Confident57 Ų5795.6 Ų95.647%0.47152%0.523SS..Hα-helixtrans-64.6-40.4177.300000112.4L47 D48 N53 G54L47-A51 PolarHBondContact O-N 3.03Å; D48-A51 PolarHBondContact O-N 3.11Å; A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.28Å; A51-G54 PolarHBondContact O-N 3.26Å
52R79.6Confident69Low210 Ų21096.7 Ų96.779%0.79253%0.528SS*.Hα-helixtrans-66.7-28.5176.4-73.3174.6-171.3-162.94.2113.2D48 L49 G54D48-R52 WeakPolarHBondContact O-CB 3.38Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.34Å; L49-R52 PolarHBondContact O-N 3.44Å; R52-G54 PolarHBondContact O-N 3.04Å
53N74.8Confident66.4Low128 Ų12895.2 Ų95.268%0.68454%0.537SS*.THydrogen-bonded Turntrans-79.714.4175.5-73.7-12.1000113.6L49 I50 A51L49-N53 WeakPolarHBondContact CD2-ND2 3.47Å; L49-N53 PolarHBondContact O-N 3.43Å; L49-N53 VanDerWaalsContact O-N 3.16Å; I50-N53 PolarHBondContact O-N 3.01Å; A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.28Å
54G58.7Low63.8Low66 Ų66102.7 Ų102.768%0.6858%0.577SS**THydrogen-bonded Turntrans81.612.2171.200000114.9A51 R52A51-G54 PolarHBondContact O-N 3.26Å; R52-G54 PolarHBondContact O-N 3.04Å
55F53.6Low60.8Low58 Ų58107.7 Ų107.725%0.25460%0.598SS.*  trans-92.3106.5174.9-166.9-81.7000110.2P24 E25 L28 I50 P57P24-F55 HydrophobicContact CB-CD2 4.33Å; P24-F55 HydrophobicContact CB-CG 4.45Å; P24-F55 HydrophobicContact CG-CD2 4.03Å; P24-F55 HydrophobicContact CG-CE2 4.24Å; E25-F55 HydrophobicContact CG-CE1 4.33Å; E25-F55 HydrophobicContact CG-CE2 3.88Å; E25-F55 HydrophobicContact CG-CZ 3.42Å; E25-F55 VanDerWaalsContact CG-CZ 3.42Å; L28-F55 HydrophobicContact CD1-CD1 3.26Å; L28-F55 HydrophobicContact CD1-CE1 3.25Å; L28-F55 HydrophobicContact CD1-CG 4.41Å; L28-F55 HydrophobicContact CD1-CZ 4.41Å; I50-F55 HydrophobicContact CG2-CB 3.93Å; I50-F55 HydrophobicContact CG2-CD1 4.29Å; I50-F55 HydrophobicContact CG2-CG 4.36Å; F55-P57 HydrophobicContact CE1-CB 4.4Å
56T55Low58.1Low123 Ų123110.2 Ų110.276%0.75561%0.612SS**  trans-107.2120.617051.50000109.4R58T56-R58 PolarHBondContact O-N 3.1Å
57P49.5Very low55.3Low61 Ų61115.1 Ų115.140%0.39664%0.638SS.*  trans-71.8129.1173.727.3-29.1000109.3F55 H59F55-P57 HydrophobicContact CE1-CB 4.4Å; P57-H59 PolarHBondContact O-N 3.48Å
58R39.3Very low52.6Low250 Ų250120.2 Ų120.294%0.94367%0.671SS**  trans-67.993172.2-173.6172.4173.3178.8-2.8109T56T56-R58 PolarHBondContact O-N 3.1Å
59H44.4Very low49.9Very low148 Ų148121.2 Ų121.269%0.68568%0.684SS**  trans-69.1130163.6-82.8-70.7000109P57 A61P57-H59 PolarHBondContact O-N 3.48Å; H59-A61 PolarHBondContact O-N 3.28Å
60G45.8Very low47.3Very low81 Ų81120.6 Ų120.684%0.83570%0.699SS**  trans-61.5130175.100000111
61A32.8Very low45.1Very low90 Ų90126.5 Ų126.574%0.74474%0.737SS**  trans-122.3130.7165.700000108.7H59H59-A61 PolarHBondContact O-N 3.28Å
62H44.2Very low42.7Very low191 Ų191135.7 Ų135.788%0.88476%0.76SS**  trans-42.1140.9160-70.3-103.2000110.8
63S34.4Very low40.5Very low120 Ų120133.1 Ų133.184%0.83976%0.757SS**  trans-131.2109.1159.942.40000109.1
64D32Very low38.3Very low158 Ų158136.6 Ų136.685%0.84576%0.76SS**  trans-57.3155.1161.2-83.3-49.5000111.7
65F27.8Very low37Very low206 Ų206142.1 Ų142.190%0.90477%0.768SS**  trans-49.1135.8165.7-92.1-112.4000113.6
66S31.1Very low36Very low112 Ų112143.7 Ų143.778%0.78379%0.792SS**  178.7112.7122.2570000112.6
67D28.9Very low35.5Very low140 Ų140143 Ų14375%0.74979%0.79SS**  44.2112.9128.1-150.94.6000120.7
68V31.9Very low34.7Very low146 Ų146147.5 Ų147.589%0.88581%0.805SS**  trans-152.6131.2135174.70000109.9
69S30.9Very low34.4Very low109 Ų109143.1 Ų143.176%0.76280%0.796SS**  trans-77.7148.2-179.3-63.50000115
70G30.2Very low33.8Very low74 Ų74143.1 Ų143.176%0.76380%0.801SS**  trans162.1126.5160.700000115
71P39.9Very low33.3Very low128 Ų128146.2 Ų146.283%0.83180%0.804SS**  trans-102.5154.1-153.938.2-33000114.9
72R31.9Very low33.4Very low251 Ų251151.4 Ų151.495%0.94781%0.809SS**  trans-156111.9151.8-114.1170.2-176.1-169.70.3113.3
73Q32.6Very low33.1Very low155 Ų155147.4 Ų147.472%0.72480%0.8SS**  trans-42.2155.6154.1-81.9169.3-22.700111.7
74R28.8Very low33.2Very low201 Ų201151.1 Ų151.176%0.75881%0.805SS**  cis-173.8168.523.7-129.8167.5-171.9178.61.7108.7
75Q31.5Very low33.4Very low182 Ų182153 Ų15385%0.8581%0.808SS**  trans95.2100.5154.6-71.2162.9600119.2
76A33.8Very low33.8Very low91 Ų91152.6 Ų152.675%0.75281%0.806SS**  trans-88.6175140.800000108.6
77P44.8Very low34.2Very low109 Ų109152.9 Ų152.971%0.70881%0.805SS**  -152.3-178.667.130.3-4.3000117.2
78H32.9Very low34.4Very low155 Ų155150.9 Ų150.972%0.71880%0.802SS**  trans85131.6168.3-71.6-91.9000116.6
79E33.1Very low35.2Very low159 Ų159151.1 Ų151.174%0.74380%0.798SS**  cis-162.216512.2-140.2163.7-137.800111.2
80D31.6Very low35.9Very low147 Ų147151.3 Ų151.379%0.78680%0.795SS**  trans-60.2142.8-167.3-62.1-75.6000117.6
81T33.7Very low37Very low147 Ų147152.4 Ų152.490%0.90279%0.791SS**  -164.4131120.9-38.70000111.2
82K35.2Very low37.7Very low198 Ų198156.1 Ų156.186%0.86179%0.789SS**  trans-75.4173.9179-121-155.8153.3173.20112.6
83P39.3Very low39.4Very low107 Ų107147.4 Ų147.470%0.69577%0.766SS**  trans-111.7138.4-139.825-1.7000113.5
84E35Very low41.4Very low199 Ų199142.8 Ų142.893%0.9374%0.743SS**  trans-98.1119164.7-97.1-174.5155.700110.2K86E84-K86 PolarHBondContact O-N 3.35Å
85E36.6Very low44.1Very low197 Ų197136.8 Ų136.892%0.92173%0.728SS**  trans-60.4125.7173.8-69.6177.8148.100111.1
86K36.4Very low46.5Very low198 Ų198132 Ų13286%0.86172%0.72SS**  trans-117.1137.4154.5-86-177.5-179.4171.30109.3E84E84-K86 PolarHBondContact O-N 3.35Å
87P39.9Very low48.9Very low117 Ų117133.5 Ų133.576%0.7671%0.712SS**  trans-73.7142.8-16631.9-36.2000111.7
88S33.7Very low50.7Low98 Ų98130.1 Ų130.169%0.68569%0.686SS**  trans28.9105148.661.10000117.7T90S88-T90 PolarHBondContact O-N 2.95Å
89D48.8Very low53.2Low151 Ų151124.1 Ų124.181%0.80766%0.659SS**  trans-51.3105.9156.6-165.27.9000111.4
90T44.3Very low55.7Low113 Ų113122.9 Ų122.969%0.69365%0.654SS**  trans-127.7106.8159.649.60000108.7S88S88-T90 PolarHBondContact O-N 2.95Å
91S52.7Low58.2Low98 Ų98116.8 Ų116.869%0.68562%0.623SS**  trans52.885.8154.263.90000117.2S93S91-S93 PolarHBondContact O-N 3.49Å; S91-S93 VanDerWaalsContact O-N 3.13Å
92R55.7Low60.7Low206 Ų206109.9 Ų109.978%0.77758%0.581SS**  trans-77.197.8167.4-71.1-177.5179.7169.22.7110.8Y94R92-Y94 VanDerWaalsContact C-N 3.25Å; R92-Y94 PolarHBondContact O-N 3.3Å
93S66.4Low63.1Low68 Ų68107.1 Ų107.148%0.47657%0.565SS.*  trans-86.217.6169.959.90000113.8S91 Q143S91-S93 PolarHBondContact O-N 3.49Å; S91-S93 VanDerWaalsContact O-N 3.13Å; S93-Q143 VanDerWaalsContact CB-OE1 3.24Å; S93-Q143 WeakPolarHBondContact OG-CB 3.37Å; S93-Q143 PolarHBondContact OG-OE1 2.98Å
94Y74.9Confident65.4Low58 Ų58110.7 Ų110.723%0.22757%0.565CS.*SBendtrans-144152.8-175.758.5-93.4000112R92 Q98 L99 A144R92-Y94 VanDerWaalsContact C-N 3.25Å; R92-Y94 PolarHBondContact O-N 3.3Å; Y94-Q98 VanDerWaalsContact CA-OE1 3.31Å; Y94-L99 HydrophobicContact CD2-CB 4.15Å; Y94-L99 HydrophobicContact CE2-CB 4.09Å; Y94-L99 HydrophobicContact CE2-CD1 4.06Å; Y94-L99 HydrophobicContact CE2-CD2 4.05Å; Y94-L99 HydrophobicContact CE2-CG 4.3Å; Y94-A144 HydrophobicContact CD1-CB 4.34Å; Y94-A144 HydrophobicContact CD2-CB 3.96Å; Y94-A144 HydrophobicContact CG-CB 3.81Å
95T85.6Confident67.8Low74 Ų74101.9 Ų101.945%0.45453%0.525SS..  trans-83155.6179.470.90000111.8E97 Q98 L99T95-E97 PolarHBondContact O-N 3.43Å; T95-Q98 WeakPolarHBondContact O-CB 3.45Å; T95-Q98 PolarHBondContact O-N 2.99Å; T95-Q98 VanDerWaalsContact O-N 3.11Å; T95-Q98 VanDerWaalsContact OG1-CG 3.27Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.26Å; T95-Q98 PolarHBondContact OG1-N 3.43Å; T95-Q98 VanDerWaalsContact OG1-N 3.14Å; T95-L99 PolarHBondContact O-N 2.84Å; T95-L99 VanDerWaalsContact O-N 3.12Å
96A83Confident70Confident83 Ų8397.8 Ų97.869%0.68650%0.504SS*.Hα-helixtrans-58.2-36.5174.600000111.9L99 E100A96-L99 PolarHBondContact O-N 3.29Å; A96-E100 PolarHBondContact O-N 3.5Å
97E82.9Confident72.2Confident122 Ų12295.6 Ų95.657%0.5750%0.497SS*.Hα-helixtrans-64.1-39.7175.2-163.7-156.7140.200112.3T95 E100 A101 K136T95-E97 PolarHBondContact O-N 3.43Å; E97-E100 PolarHBondContact O-N 3.44Å; E97-A101 WeakPolarHBondContact O-CB 3.43Å; E97-A101 PolarHBondContact O-N 2.89Å; E97-K136 IonicContact OE1-NZ 3.71Å; E97-K136 PolarHBondContact OE1-NZ 3.26Å
98Q83.9Confident74.2Confident37 Ų3791.2 Ų91.217%0.17347%0.468CS..Hα-helixtrans-64.4-41.6176-78.4171.8-30.400111.5Y94 T95 A101 V102 K141Y94-Q98 VanDerWaalsContact CA-OE1 3.31Å; T95-Q98 WeakPolarHBondContact O-CB 3.45Å; T95-Q98 PolarHBondContact O-N 2.99Å; T95-Q98 VanDerWaalsContact O-N 3.11Å; T95-Q98 VanDerWaalsContact OG1-CG 3.27Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.26Å; T95-Q98 PolarHBondContact OG1-N 3.43Å; T95-Q98 VanDerWaalsContact OG1-N 3.14Å; Q98-A101 PolarHBondContact O-N 3.2Å; Q98-V102 VanDerWaalsContact O-CG2 3.3Å; Q98-V102 WeakPolarHBondContact O-CG2 3.45Å; Q98-V102 PolarHBondContact O-N 3.42Å; Q98-K141 PolarHBondContact NE2-O 2.95Å
99L85.3Confident76.2Confident30 Ų3093.2 Ų93.216%0.15747%0.465CS..Hα-helixtrans-65.5-42.7177.9-173.668.1000111.8Y94 T95 A96 V102 R103 A144 P145Y94-L99 HydrophobicContact CD2-CB 4.15Å; Y94-L99 HydrophobicContact CE2-CB 4.09Å; Y94-L99 HydrophobicContact CE2-CD1 4.06Å; Y94-L99 HydrophobicContact CE2-CD2 4.05Å; Y94-L99 HydrophobicContact CE2-CG 4.3Å; T95-L99 PolarHBondContact O-N 2.84Å; T95-L99 VanDerWaalsContact O-N 3.12Å; A96-L99 PolarHBondContact O-N 3.29Å; L99-V102 PolarHBondContact O-N 3.19Å; L99-R103 WeakPolarHBondContact O-CG 3.46Å; L99-R103 PolarHBondContact O-N 3.25Å; L99-A144 HydrophobicContact CD1-CB 4.36Å; L99-P145 HydrophobicContact CD1-CG 3.66Å
100E85.5Confident78.1Confident133 Ų13388.1 Ų88.162%0.62144%0.438SS*.Hα-helixtrans-65.2-41.5177.2-171174.2-176.700111.7A96 E97 V102 R103 R104A96-E100 PolarHBondContact O-N 3.5Å; E97-E100 PolarHBondContact O-N 3.44Å; E100-V102 PolarHBondContact O-N 3.19Å; E100-R103 PolarHBondContact O-N 3.1Å; E100-R104 WeakPolarHBondContact O-CB 3.21Å; E100-R104 PolarHBondContact O-N 3.04Å
101A84.5Confident80.3Confident18 Ų1883.2 Ų83.215%0.14941%0.407CS..Hα-helixtrans-60.9-43175.200000111.9E97 Q98 R104 T105 F137E97-A101 WeakPolarHBondContact O-CB 3.43Å; E97-A101 PolarHBondContact O-N 2.89Å; Q98-A101 PolarHBondContact O-N 3.2Å; A101-R104 PolarHBondContact O-N 3.35Å; A101-T105 PolarHBondContact O-N 2.04Å; A101-T105 PolarHBondContact O-OG1 3.28Å; A101-F137 HydrophobicContact CB-CE1 4.2Å; A101-F137 HydrophobicContact CB-CZ 3.64Å
102V86Confident82.1Confident2 Ų278.9 Ų78.91%0.01238%0.375CS..Hα-helixtrans-62.6-44.8175.2171.20000111.8Q98 L99 E100 R104 T105 K106 F137 A144 P145 G146 A147 A150Q98-V102 VanDerWaalsContact O-CG2 3.3Å; Q98-V102 WeakPolarHBondContact O-CG2 3.45Å; Q98-V102 PolarHBondContact O-N 3.42Å; L99-V102 PolarHBondContact O-N 3.19Å; E100-V102 PolarHBondContact O-N 3.19Å; V102-R104 PolarHBondContact O-N 3.37Å; V102-T105 PolarHBondContact O-N 2.97Å; V102-K106 HydrophobicContact CG1-CD 4.21Å; V102-K106 WeakPolarHBondContact O-CB 3.37Å; V102-K106 WeakPolarHBondContact O-CG 3.39Å; V102-K106 PolarHBondContact O-N 2.62Å; V102-F137 HydrophobicContact CB-CE1 4.26Å; V102-F137 HydrophobicContact CG2-CD1 3.87Å; V102-F137 HydrophobicContact CG2-CE1 3.56Å; V102-A144 HydrophobicContact CG2-CB 4.21Å; V102-P145 WeakPolarHBondContact CG1-O 3.32Å; V102-G146 WeakPolarHBondContact CG1-O 3.39Å; V102-A147 HydrophobicContact CG2-CB 4Å; V102-A150 HydrophobicContact CG1-CB 4.23Å
103R85.7Confident83.7Confident140 Ų14074.9 Ų74.953%0.52837%0.365SS..Hα-helixtrans-61.1-45.2177.1-72.7-176.5-158.7153.90111.7L99 E100 K106 Q107L99-R103 WeakPolarHBondContact O-CG 3.46Å; L99-R103 PolarHBondContact O-N 3.25Å; E100-R103 PolarHBondContact O-N 3.1Å; R103-K106 PolarHBondContact O-N 3.18Å; R103-Q107 WeakPolarHBondContact O-CB 3.31Å; R103-Q107 VanDerWaalsContact O-CG 3.25Å; R103-Q107 WeakPolarHBondContact O-CG 3.1Å; R103-Q107 PolarHBondContact O-N 2.86Å
104R86.3Confident84.9Confident182 Ų18272.3 Ų72.369%0.68735%0.346SS*.Hα-helixtrans-60.6-50179.2-177.2177.1177.3152.31111.4E100 A101 V102 K106 Q107 C108E100-R104 WeakPolarHBondContact O-CB 3.21Å; E100-R104 PolarHBondContact O-N 3.04Å; A101-R104 PolarHBondContact O-N 3.35Å; V102-R104 PolarHBondContact O-N 3.37Å; R104-K106 VanDerWaalsContact C-N 3.27Å; R104-K106 PolarHBondContact O-N 3.43Å; R104-Q107 PolarHBondContact O-N 3.38Å; R104-Q107 VanDerWaalsContact O-N 3.08Å; R104-C108 PolarHBondContact O-N 2.55Å; R104-C108 PolarHBondContact O-SG 3.15Å; R104-C108 VanDerWaalsContact O-SG 3.41Å
105T85.6Confident85.7Confident14 Ų1469.5 Ų69.59%0.08634%0.335CS..Hα-helixtrans-63.3-33.1179.9-60.20000112.5A101 V102 I114 A150 I154A101-T105 PolarHBondContact O-N 2.04Å; A101-T105 PolarHBondContact O-OG1 3.28Å; V102-T105 PolarHBondContact O-N 2.97Å; T105-I114 HydrophobicContact CG2-CG2 4.11Å; T105-A150 HydrophobicContact CG2-CB 3.97Å; T105-I154 HydrophobicContact CG2-CD1 4.14Å; T105-I154 HydrophobicContact CG2-CG1 3.94Å
106K83.5Confident85.9Confident111 Ų11169 Ų6948%0.48334%0.344SS..Hα-helixtrans-73.4-27173.8-76.1-173.959.9168.40114.1V102 R103 R104 E149 A150V102-K106 HydrophobicContact CG1-CD 4.21Å; V102-K106 WeakPolarHBondContact O-CB 3.37Å; V102-K106 WeakPolarHBondContact O-CG 3.39Å; V102-K106 PolarHBondContact O-N 2.62Å; R103-K106 PolarHBondContact O-N 3.18Å; R104-K106 VanDerWaalsContact C-N 3.27Å; R104-K106 PolarHBondContact O-N 3.43Å; K106-E149 HydrophobicContact CD-CB 4.47Å; K106-E149 WeakPolarHBondContact CE-OE2 3.37Å; K106-E149 IonicContact NZ-OE2 2.83Å; K106-E149 PolarHBondContact NZ-OE2 3Å; K106-A150 HydrophobicContact CG-CB 4.47Å
107Q82.7Confident86.3Confident153 Ų15365.5 Ų65.572%0.71532%0.315SS*.Hα-helixtrans-85.1-28179.9-74.5172.4-6.100112.3R103 R104 K109R103-Q107 WeakPolarHBondContact O-CB 3.31Å; R103-Q107 VanDerWaalsContact O-CG 3.25Å; R103-Q107 WeakPolarHBondContact O-CG 3.1Å; R103-Q107 PolarHBondContact O-N 2.86Å; R104-Q107 PolarHBondContact O-N 3.38Å; R104-Q107 VanDerWaalsContact O-N 3.08Å; Q107-K109 PolarHBondContact O-N 2.8Å
108C81.2Confident86.7Confident24 Ų2466.9 Ų66.916%0.16232%0.321CS..  trans-71.4125.2173.3-70.90000110.4R104 E113 I114R104-C108 PolarHBondContact O-N 2.55Å; R104-C108 PolarHBondContact O-SG 3.15Å; R104-C108 VanDerWaalsContact O-SG 3.41Å; C108-E113 HydrophobicContact CB-CB 4.36Å; C108-I114 HydrophobicContact CB-CG1 3.81Å; C108-I114 WeakPolarHBondContact O-CD1 3.45Å
109K76.8Confident86.9Confident141 Ų14171.3 Ų71.361%0.61334%0.34SS*.  trans-97.1-19.8172.6-66.9-174.1177.9-172.30112.8Q107 E175Q107-K109 PolarHBondContact O-N 2.8Å; K109-E175 WeakPolarHBondContact CB-OE2 3.47Å
110D87.4Confident87Confident44 Ų4477.1 Ų77.124%0.23537%0.371CS..  trans-83124-179.8-1690.9000111.6Y112 E113 I114 Y170D110-Y112 PolarHBondContact O-N 2.84Å; D110-Y112 VanDerWaalsContact OD1-CD2 3.29Å; D110-Y112 WeakPolarHBondContact OD1-CD2 3.44Å; D110-Y112 PolarHBondContact OD1-N 3.44Å; D110-E113 HydrophobicContact CB-CB 4.17Å; D110-E113 HydrophobicContact CB-CG 3.96Å; D110-E113 PolarHBondContact O-N 3.29Å; D110-E113 VanDerWaalsContact O-N 3.08Å; D110-I114 WeakPolarHBondContact O-CG1 3.3Å; D110-I114 PolarHBondContact O-N 3.36Å; D110-Y170 WeakPolarHBondContact CA-OH 3.33Å; D110-Y170 PolarHBondContact OD1-OH 3.45Å
111F90.3Very high87.3Confident9 Ų971.9 Ų71.94%0.03935%0.346CS..Hα-helixtrans-57.8-33176.4-65.4-20.6000113.5I114 L115 A157 V160 L161 Y170F111-I114 HydrophobicContact CD1-CD1 4.17Å; F111-L115 PolarHBondContact O-N 3.05Å; F111-L115 VanDerWaalsContact O-N 3.12Å; F111-A157 HydrophobicContact CB-CB 3.77Å; F111-A157 HydrophobicContact CD1-CB 3.71Å; F111-A157 HydrophobicContact CG-CB 3.87Å; F111-V160 HydrophobicContact CD2-CB 3.89Å; F111-V160 HydrophobicContact CD2-CG1 3.83Å; F111-V160 HydrophobicContact CD2-CG2 4.35Å; F111-V160 HydrophobicContact CE2-CB 3.78Å; F111-V160 HydrophobicContact CE2-CG1 3.78Å; F111-V160 HydrophobicContact CE2-CG2 3.73Å; F111-V160 HydrophobicContact CZ-CG2 4.38Å; F111-L161 HydrophobicContact CB-CD1 3.71Å; F111-L161 HydrophobicContact CB-CD2 4.4Å; F111-L161 HydrophobicContact CB-CG 3.96Å; F111-Y170 HydrophobicContact CB-CE1 4.05Å; F111-Y170 HydrophobicContact CB-CE2 4.5Å; F111-Y170 HydrophobicContact CD1-CE2 4.47Å; F111-Y170 HydrophobicContact CD2-CD1 4.05Å; F111-Y170 AromaticContact CD2-CD2 3.44Å; F111-Y170 HydrophobicContact CD2-CD2 3.44Å; F111-Y170 VanDerWaalsContact CD2-CD2 3.44Å; F111-Y170 AromaticContact CD2-CE1 3.88Å; F111-Y170 HydrophobicContact CD2-CE1 3.88Å; F111-Y170 AromaticContact CD2-CE2 3.24Å; F111-Y170 HydrophobicContact CD2-CE2 3.24Å; F111-Y170 AromaticContact CD2-CG 3.84Å; F111-Y170 HydrophobicContact CD2-CG 3.84Å; F111-Y170 AromaticContact CD2-CZ 3.49Å; F111-Y170 VanDerWaalsContact CD2-CZ 3.49Å; F111-Y170 AromaticContact CE2-CD2 3.39Å; F111-Y170 HydrophobicContact CE2-CD2 3.39Å; F111-Y170 AromaticContact CE2-CE2 3.39Å; F111-Y170 HydrophobicContact CE2-CE2 3.39Å; F111-Y170 HydrophobicContact CE2-CG 4.12Å; F111-Y170 HydrophobicContact CG-CD2 4.45Å; F111-Y170 HydrophobicContact CG-CE1 4.24Å; F111-Y170 AromaticContact CG-CE2 3.84Å; F111-Y170 HydrophobicContact CG-CE2 3.84Å; F111-Y170 AromaticContact CG-CZ 3.73Å; F111-Y170 HydrophobicContact CZ-CD2 4.38Å; F111-Y170 HydrophobicContact CZ-CE2 4.1Å; F111-Y170 PolarHBondContact N-OH 3.35Å
112Y91.4Very high87.6Confident8 Ų874 Ų743%0.03136%0.36CS..Hα-helixtrans-66.3-42.1175.6-65.3-80.6000111.1D110 L115 G116 V117 K119 F121 L161 R167 Y170 D171D110-Y112 PolarHBondContact O-N 2.84Å; D110-Y112 VanDerWaalsContact OD1-CD2 3.29Å; D110-Y112 WeakPolarHBondContact OD1-CD2 3.44Å; D110-Y112 PolarHBondContact OD1-N 3.44Å; Y112-L115 CarbonylContact O-C 3.59Å; Y112-G116 WeakPolarHBondContact O-CA 3.2Å; Y112-G116 PolarHBondContact O-N 3.49Å; Y112-V117 HydrophobicContact CD1-CG2 4.27Å; Y112-V117 PolarHBondContact O-N 3.23Å; Y112-K119 HydrophobicContact CD1-CG 4.12Å; Y112-K119 HydrophobicContact CD2-CG 4.19Å; Y112-K119 HydrophobicContact CE1-CB 4.32Å; Y112-K119 HydrophobicContact CE1-CG 4.07Å; Y112-K119 HydrophobicContact CE2-CG 4.18Å; Y112-K119 HydrophobicContact CG-CG 4.19Å; Y112-F121 HydrophobicContact CD1-CD1 4.07Å; Y112-F121 AromaticContact CD1-CE1 3.84Å; Y112-F121 HydrophobicContact CD1-CE1 3.84Å; Y112-F121 AromaticContact CE1-CD1 3.99Å; Y112-F121 HydrophobicContact CE1-CD1 3.99Å; Y112-F121 AromaticContact CE1-CE1 3.48Å; Y112-F121 HydrophobicContact CE1-CE1 3.48Å; Y112-F121 VanDerWaalsContact CE1-CE1 3.48Å; Y112-L161 HydrophobicContact CD1-CD1 4.11Å; Y112-L161 HydrophobicContact CD1-CD2 4.32Å; Y112-L161 HydrophobicContact CE1-CD1 4.34Å; Y112-L161 HydrophobicContact CE1-CD2 3.79Å; Y112-L161 HydrophobicContact CE2-CD2 4.02Å; Y112-L161 HydrophobicContact CG-CD1 4.38Å; Y112-R167 PolarHBondContact OH-NE 2.89Å; Y112-R167 PolarHBondContact OH-NH2 2.91Å; Y112-Y170 HydrophobicContact CD2-CE1 4.06Å; Y112-Y170 HydrophobicContact CE2-CD1 4.15Å; Y112-Y170 AromaticContact CE2-CE1 3.76Å; Y112-Y170 HydrophobicContact CE2-CE1 3.76Å; Y112-D171 WeakPolarHBondContact CE2-OD1 3.41Å; Y112-D171 VanDerWaalsContact OH-CG 3.24Å; Y112-D171 PolarHBondContact OH-OD1 3.11Å; Y112-D171 PolarHBondContact OH-OD2 2.9Å; Y112-D171 VanDerWaalsContact OH-OD2 3.12Å
113E89.8Confident87.7Confident122 Ų12280.8 Ų80.857%0.5739%0.391SS*.Hα-helixtrans-71.7-39.5177.9-65.6-173.9173.400112.6C108 D110 L115 G116C108-E113 HydrophobicContact CB-CB 4.36Å; D110-E113 HydrophobicContact CB-CB 4.17Å; D110-E113 HydrophobicContact CB-CG 3.96Å; D110-E113 PolarHBondContact O-N 3.29Å; D110-E113 VanDerWaalsContact O-N 3.08Å; E113-L115 VanDerWaalsContact C-N 3.28Å; E113-L115 PolarHBondContact O-N 3.34Å; E113-G116 PolarHBondContact O-N 3.27Å
114I90.4Very high87.8Confident13 Ų1378.5 Ų78.57%0.06739%0.39CS..Hα-helixtrans-58.2-43.6175.5-71.9171000110.5T105 C108 D110 F111 G116 L133 A153 I154 A157T105-I114 HydrophobicContact CG2-CG2 4.11Å; C108-I114 HydrophobicContact CB-CG1 3.81Å; C108-I114 WeakPolarHBondContact O-CD1 3.45Å; D110-I114 WeakPolarHBondContact O-CG1 3.3Å; D110-I114 PolarHBondContact O-N 3.36Å; F111-I114 HydrophobicContact CD1-CD1 4.17Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-L133 WeakPolarHBondContact O-CD1 3.41Å; I114-A153 HydrophobicContact CD1-CB 4.5Å; I114-I154 HydrophobicContact CG2-CB 4.5Å; I114-I154 HydrophobicContact CG2-CG1 3.92Å; I114-A157 HydrophobicContact CB-CB 4.28Å; I114-A157 HydrophobicContact CG2-CB 3.9Å
115L91.8Very high88Confident0 Ų073.8 Ų73.80%038%0.375CS..THydrogen-bonded Turntrans-84.8-5.7176.2-65.2-176.4000113.4F111 Y112 E113 V117 L126 S129 L133 I154 A157 L161F111-L115 PolarHBondContact O-N 3.05Å; F111-L115 VanDerWaalsContact O-N 3.12Å; Y112-L115 CarbonylContact O-C 3.59Å; E113-L115 VanDerWaalsContact C-N 3.28Å; E113-L115 PolarHBondContact O-N 3.34Å; L115-V117 VanDerWaalsContact C-N 3.27Å; L115-V117 HydrophobicContact CB-CG2 4.01Å; L115-V117 PolarHBondContact O-N 2.88Å; L115-L126 HydrophobicContact CD1-CD1 3.44Å; L115-L126 VanDerWaalsContact CD1-CD1 3.44Å; L115-S129 WeakPolarHBondContact O-CB 3.49Å; L115-S129 PolarHBondContact O-OG 3.44Å; L115-L133 HydrophobicContact CD2-CD1 4.22Å; L115-I154 HydrophobicContact CD2-CG2 3.95Å; L115-A157 HydrophobicContact CD1-CB 4.13Å; L115-A157 HydrophobicContact CD2-CB 4.21Å; L115-A157 HydrophobicContact CG-CB 3.82Å; L115-L161 HydrophobicContact CD1-CD1 3.8Å
116G89.9Confident88.3Confident62 Ų6273.4 Ų73.464%0.63937%0.373SS*.THydrogen-bonded Turntrans59.235.1-178.800000113.9Y112 E113 I114Y112-G116 WeakPolarHBondContact O-CA 3.2Å; Y112-G116 PolarHBondContact O-N 3.49Å; E113-G116 PolarHBondContact O-N 3.27Å; I114-G116 VanDerWaalsContact C-N 3.34Å
117V92.2Very high88.5Confident11 Ų1171.1 Ų71.17%0.06736%0.363CS..  trans-114.8148.1178.7-65.70000110.6Y112 L115 F121 E125 L126Y112-V117 HydrophobicContact CD1-CG2 4.27Å; Y112-V117 PolarHBondContact O-N 3.23Å; L115-V117 VanDerWaalsContact C-N 3.27Å; L115-V117 HydrophobicContact CB-CG2 4.01Å; L115-V117 PolarHBondContact O-N 2.88Å; V117-F121 HydrophobicContact CB-CB 4.07Å; V117-F121 HydrophobicContact CB-CD1 3.96Å; V117-F121 HydrophobicContact CB-CG 4.3Å; V117-F121 HydrophobicContact CG2-CD1 3.53Å; V117-F121 HydrophobicContact CG2-CE1 4Å; V117-F121 HydrophobicContact CG2-CG 4.27Å; V117-E125 HydrophobicContact CG1-CG 4.37Å; V117-L126 HydrophobicContact CG2-CD1 4.16Å
118Q91Very high88.8Confident151 Ų15172 Ų7271%0.70636%0.36SS*.  trans-77.4159.3173.1-63.1-16912.600110.9D120 F121Q118-D120 PolarHBondContact O-N 2.56Å; Q118-D120 VanDerWaalsContact O-N 3.14Å; Q118-F121 WeakPolarHBondContact O-CB 3.22Å; Q118-F121 WeakPolarHBondContact O-CD1 3.02Å; Q118-F121 PolarHBondContact O-N 2.81Å; Q118-F121 VanDerWaalsContact O-N 3.13Å
119K87.1Confident89.4Confident130 Ų13072 Ų7257%0.56536%0.36SS*.THydrogen-bonded Turntrans-57-31.6177.4-67.8-172.7178.9-174.80112.6Y112 F121 R167Y112-K119 HydrophobicContact CD1-CG 4.12Å; Y112-K119 HydrophobicContact CD2-CG 4.19Å; Y112-K119 HydrophobicContact CE1-CB 4.32Å; Y112-K119 HydrophobicContact CE1-CG 4.07Å; Y112-K119 HydrophobicContact CE2-CG 4.18Å; Y112-K119 HydrophobicContact CG-CG 4.19Å; K119-F121 VanDerWaalsContact C-N 3.27Å; K119-F121 PolarHBondContact O-N 2.9Å; K119-R167 PolarHBondContact O-NH2 3.31Å
120D88.5Confident90.1Very high152 Ų15265.4 Ų65.481%0.81333%0.331SS*.THydrogen-bonded Turntrans-91.439.3178.1-58.5-33.3000112.9Q118Q118-D120 PolarHBondContact O-N 2.56Å; Q118-D120 VanDerWaalsContact O-N 3.14Å
121F90.6Very high90.2Very high22 Ų2268.1 Ų68.110%0.09634%0.338CS..  trans-71.7152.3179.965.5-113.1000113.2Y112 V117 Q118 K119 L126 L161Y112-F121 HydrophobicContact CD1-CD1 4.07Å; Y112-F121 AromaticContact CD1-CE1 3.84Å; Y112-F121 HydrophobicContact CD1-CE1 3.84Å; Y112-F121 AromaticContact CE1-CD1 3.99Å; Y112-F121 HydrophobicContact CE1-CD1 3.99Å; Y112-F121 AromaticContact CE1-CE1 3.48Å; Y112-F121 HydrophobicContact CE1-CE1 3.48Å; Y112-F121 VanDerWaalsContact CE1-CE1 3.48Å; V117-F121 HydrophobicContact CB-CB 4.07Å; V117-F121 HydrophobicContact CB-CD1 3.96Å; V117-F121 HydrophobicContact CB-CG 4.3Å; V117-F121 HydrophobicContact CG2-CD1 3.53Å; V117-F121 HydrophobicContact CG2-CE1 4Å; V117-F121 HydrophobicContact CG2-CG 4.27Å; Q118-F121 WeakPolarHBondContact O-CB 3.22Å; Q118-F121 WeakPolarHBondContact O-CD1 3.02Å; Q118-F121 PolarHBondContact O-N 2.81Å; Q118-F121 VanDerWaalsContact O-N 3.13Å; K119-F121 VanDerWaalsContact C-N 3.27Å; K119-F121 PolarHBondContact O-N 2.9Å; F121-L126 HydrophobicContact CD2-CB 3.82Å; F121-L126 HydrophobicContact CD2-CD1 4.47Å; F121-L126 HydrophobicContact CE1-CD1 4.08Å; F121-L126 HydrophobicContact CE2-CB 3.8Å; F121-L126 HydrophobicContact CE2-CD1 4.07Å; F121-L126 HydrophobicContact CE2-CD2 3.71Å; F121-L126 HydrophobicContact CE2-CG 4.06Å; F121-L126 HydrophobicContact CZ-CB 4.46Å; F121-L126 HydrophobicContact CZ-CD1 3.87Å; F121-L126 HydrophobicContact CZ-CD2 3.89Å; F121-L126 HydrophobicContact CZ-CG 4.28Å; F121-L161 HydrophobicContact CE1-CB 4.43Å; F121-L161 HydrophobicContact CE1-CD1 4.31Å; F121-L161 HydrophobicContact CZ-CB 4.12Å
122S91.1Very high90.2Very high64 Ų6475.2 Ų75.245%0.44837%0.369SS..  trans-83.9153.1165.266.80000111.8D124 E125 L126S122-D124 PolarHBondContact O-N 2.92Å; S122-E125 PolarHBondContact N-OE2 3.1Å; S122-E125 WeakPolarHBondContact O-CB 3.27Å; S122-E125 PolarHBondContact O-N 2.97Å; S122-E125 VanDerWaalsContact OG-CB 3.25Å; S122-E125 WeakPolarHBondContact OG-CB 3.02Å; S122-E125 PolarHBondContact OG-N 2.99Å; S122-L126 PolarHBondContact O-N 3.29Å
123E88.4Confident90.2Very high143 Ų14376.2 Ų76.267%0.66838%0.375SS*.Hα-helixtrans-57.3-34.6177.6-69-171.4-171.800112.8K127E123-K127 VanDerWaalsContact O-CG 3.31Å; E123-K127 WeakPolarHBondContact O-CG 3.3Å; E123-K127 PolarHBondContact O-N 2.92Å; E123-K127 IonicContact OE2-NZ 2.64Å
124D87.3Confident90.1Very high92 Ų9270.4 Ų70.449%0.49235%0.348SS..Hα-helixtrans-69.5-36.6178-73.8-22.9000112.1S122 K127 R128S122-D124 PolarHBondContact O-N 2.92Å; D124-K127 PolarHBondContact O-N 3.32Å; D124-R128 WeakPolarHBondContact O-CB 3.17Å; D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 3.23Å
125E90.1Very high90Very high83 Ų8373.1 Ų73.139%0.38836%0.362SS..Hα-helixtrans-65.9-44.3174.5-177179.1-17500111.4V117 S122 K127 R128 S129V117-E125 HydrophobicContact CG1-CG 4.37Å; S122-E125 PolarHBondContact N-OE2 3.1Å; S122-E125 WeakPolarHBondContact O-CB 3.27Å; S122-E125 PolarHBondContact O-N 2.97Å; S122-E125 VanDerWaalsContact OG-CB 3.25Å; S122-E125 WeakPolarHBondContact OG-CB 3.02Å; S122-E125 PolarHBondContact OG-N 2.99Å; E125-K127 PolarHBondContact O-N 3.5Å; E125-R128 PolarHBondContact O-N 3.37Å; E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 3.26Å
126L91.8Very high89.8Confident6 Ų676.9 Ų76.93%0.03138%0.378CS..Hα-helixtrans-57.4-48.4174.1-174.571.5000111.2L115 V117 F121 S122 R128 S129 Y130 Y158 L161L115-L126 HydrophobicContact CD1-CD1 3.44Å; L115-L126 VanDerWaalsContact CD1-CD1 3.44Å; V117-L126 HydrophobicContact CG2-CD1 4.16Å; F121-L126 HydrophobicContact CD2-CB 3.82Å; F121-L126 HydrophobicContact CD2-CD1 4.47Å; F121-L126 HydrophobicContact CE1-CD1 4.08Å; F121-L126 HydrophobicContact CE2-CB 3.8Å; F121-L126 HydrophobicContact CE2-CD1 4.07Å; F121-L126 HydrophobicContact CE2-CD2 3.71Å; F121-L126 HydrophobicContact CE2-CG 4.06Å; F121-L126 HydrophobicContact CZ-CB 4.46Å; F121-L126 HydrophobicContact CZ-CD1 3.87Å; F121-L126 HydrophobicContact CZ-CD2 3.89Å; F121-L126 HydrophobicContact CZ-CG 4.28Å; S122-L126 PolarHBondContact O-N 3.29Å; L126-R128 PolarHBondContact O-N 3.09Å; L126-S129 PolarHBondContact O-N 2.98Å; L126-Y130 WeakPolarHBondContact O-CB 3.42Å; L126-Y130 PolarHBondContact O-N 2.84Å; L126-Y158 HydrophobicContact CD1-CD2 4.46Å; L126-Y158 HydrophobicContact CD2-CD2 4.22Å; L126-Y158 HydrophobicContact CD2-CE2 4.11Å; L126-Y158 HydrophobicContact CG-CD2 3.92Å; L126-Y158 HydrophobicContact CG-CE2 3.92Å; L126-L161 HydrophobicContact CD1-CB 4.09Å; L126-L161 HydrophobicContact CD1-CD1 4.41Å; L126-L161 HydrophobicContact CD2-CB 4.24Å
127K89.6Confident89.7Confident64 Ų6474 Ų7428%0.27835%0.349SS..Hα-helixtrans-62.3-42.1177-74.1167.9-171.1162.90112.1E123 D124 E125 R131 Y158E123-K127 VanDerWaalsContact O-CG 3.31Å; E123-K127 WeakPolarHBondContact O-CG 3.3Å; E123-K127 PolarHBondContact O-N 2.92Å; E123-K127 IonicContact OE2-NZ 2.64Å; D124-K127 PolarHBondContact O-N 3.32Å; E125-K127 PolarHBondContact O-N 3.5Å; K127-R131 WeakPolarHBondContact O-CB 3.37Å; K127-R131 VanDerWaalsContact O-CG 3.23Å; K127-R131 WeakPolarHBondContact O-CG 3.33Å; K127-R131 PolarHBondContact O-N 3.35Å; K127-R131 VanDerWaalsContact O-N 3.08Å; K127-R131 PolarHBondContact O-NE 2.99Å; K127-Y158 HydrophobicContact CG-CE2 4.32Å; K127-Y158 WeakPolarHBondContact CG-OH 3.26Å
128R89Confident89.4Confident171 Ų17175.2 Ų75.265%0.64535%0.353SS*.Hα-helixtrans-66.3-42.1179.1-76.5170.5-169.8-166.95.4111.3D124 E125 L126 R131 K132D124-R128 WeakPolarHBondContact O-CB 3.17Å; D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 3.23Å; E125-R128 PolarHBondContact O-N 3.37Å; L126-R128 PolarHBondContact O-N 3.09Å; R128-R131 PolarHBondContact O-N 3.18Å; R128-K132 PolarHBondContact O-N 3.39Å; R128-K132 VanDerWaalsContact O-N 3.14Å
129S92.5Very high89Confident25 Ų2570.5 Ų70.518%0.17534%0.336CS..Hα-helixtrans-67.3-45.9179.6-161.60000111.8L115 E125 L126 R131 K132 L133L115-S129 WeakPolarHBondContact O-CB 3.49Å; L115-S129 PolarHBondContact O-OG 3.44Å; E125-S129 WeakPolarHBondContact O-CB 3.41Å; E125-S129 PolarHBondContact O-N 3.26Å; L126-S129 PolarHBondContact O-N 2.98Å; S129-R131 PolarHBondContact O-N 2.95Å; S129-K132 PolarHBondContact O-N 3.4Å; S129-K132 VanDerWaalsContact O-N 3.15Å; S129-L133 WeakPolarHBondContact O-CG 3.44Å; S129-L133 PolarHBondContact O-N 2.91Å
130Y92.3Very high88.6Confident1 Ų170.3 Ų70.30%0.00434%0.341CS..Hα-helixtrans-56.8-47.2174.7173.6-105.6000112L126 K132 L133 A134 I154 Y158 L199 F203L126-Y130 WeakPolarHBondContact O-CB 3.42Å; L126-Y130 PolarHBondContact O-N 2.84Å; Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.4Å; Y130-L133 PolarHBondContact O-N 3.47Å; Y130-A134 HydrophobicContact CE1-CB 4.46Å; Y130-A134 HydrophobicContact CE2-CB 4.29Å; Y130-A134 WeakPolarHBondContact O-CB 3.38Å; Y130-A134 PolarHBondContact O-N 3.41Å; Y130-I154 HydrophobicContact CD2-CG2 3.88Å; Y130-I154 HydrophobicContact CE2-CG2 4.08Å; Y130-Y158 HydrophobicContact CD1-CD1 4.43Å; Y130-Y158 HydrophobicContact CD1-CD2 4.16Å; Y130-Y158 HydrophobicContact CD1-CE2 4.26Å; Y130-Y158 HydrophobicContact CD1-CG 4.21Å; Y130-Y158 HydrophobicContact CD2-CD1 4.45Å; Y130-Y158 HydrophobicContact CD2-CD2 4.03Å; Y130-Y158 AromaticContact CD2-CG 3.74Å; Y130-Y158 HydrophobicContact CD2-CG 3.74Å; Y130-Y158 HydrophobicContact CE2-CG 4.28Å; Y130-Y158 HydrophobicContact CG-CD1 4.35Å; Y130-Y158 AromaticContact CG-CD2 3.59Å; Y130-Y158 HydrophobicContact CG-CD2 3.59Å; Y130-Y158 HydrophobicContact CG-CE2 4.08Å; Y130-Y158 AromaticContact CG-CG 3.71Å; Y130-Y158 HydrophobicContact CG-CG 3.71Å; Y130-L199 HydrophobicContact CE1-CD2 4.17Å; Y130-L199 HydrophobicContact CE1-CG 4.12Å; Y130-L199 HydrophobicContact CE2-CD2 3.91Å; Y130-L199 VanDerWaalsContact OH-CD2 3.32Å; Y130-L199 WeakPolarHBondContact OH-CD2 3.5Å; Y130-L199 WeakPolarHBondContact OH-CG 3.3Å; Y130-F203 HydrophobicContact CD1-CD2 4.39Å; Y130-F203 HydrophobicContact CE1-CD2 4.42Å
131R88.8Confident88.2Confident101 Ų10169.9 Ų69.938%0.38133%0.332SS..Hα-helixtrans-54.1-47.4175.7-78.5179.7-126.6-145.40.5112.6K127 R128 S129 L135 F203 F204K127-R131 WeakPolarHBondContact O-CB 3.37Å; K127-R131 VanDerWaalsContact O-CG 3.23Å; K127-R131 WeakPolarHBondContact O-CG 3.33Å; K127-R131 PolarHBondContact O-N 3.35Å; K127-R131 VanDerWaalsContact O-N 3.08Å; K127-R131 PolarHBondContact O-NE 2.99Å; R128-R131 PolarHBondContact O-N 3.18Å; S129-R131 PolarHBondContact O-N 2.95Å; R131-L135 VanDerWaalsContact O-CG 3.32Å; R131-L135 WeakPolarHBondContact O-CG 3.32Å; R131-L135 PolarHBondContact O-N 2.87Å; R131-L135 VanDerWaalsContact O-N 3.17Å; R131-F203 HydrophobicContact CG-CD1 3.52Å; R131-F203 HydrophobicContact CG-CD2 4.35Å; R131-F203 HydrophobicContact CG-CE1 3.14Å; R131-F203 HydrophobicContact CG-CE2 3.97Å; R131-F203 HydrophobicContact CG-CG 4.21Å; R131-F203 HydrophobicContact CG-CZ 3.47Å; R131-F203 VanDerWaalsContact CG-CZ 3.47Å; R131-F203 VanDerWaalsContact NE-CE1 3.31Å; R131-F204 HydrophobicContact CB-CZ 3.82Å; R131-F204 HydrophobicContact CG-CE1 4.44Å; R131-F204 HydrophobicContact CG-CE2 4.38Å; R131-F204 HydrophobicContact CG-CZ 3.76Å
132K90.5Very high87.9Confident158 Ų15869 Ų6969%0.68733%0.328SS*.Hα-helixtrans-64.7-45.1-177.3-176.3-178.6177.2-176.10111.1R128 S129 Y130 K136R128-K132 PolarHBondContact O-N 3.39Å; R128-K132 VanDerWaalsContact O-N 3.14Å; S129-K132 PolarHBondContact O-N 3.4Å; S129-K132 VanDerWaalsContact O-N 3.15Å; Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.4Å; K132-K136 PolarHBondContact O-N 2.85Å
133L90.8Very high87.4Confident30 Ų3071.6 Ų71.616%0.15733%0.333CS..Hα-helixtrans-70.4-45180-70.1171.6000111.6I114 L115 S129 Y130 L135 K136 F137 I154I114-L133 WeakPolarHBondContact O-CD1 3.41Å; L115-L133 HydrophobicContact CD2-CD1 4.22Å; S129-L133 WeakPolarHBondContact O-CG 3.44Å; S129-L133 PolarHBondContact O-N 2.91Å; Y130-L133 PolarHBondContact O-N 3.47Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.3Å; L133-K136 WeakPolarHBondContact O-CA 3.23Å; L133-K136 PolarHBondContact O-N 3.34Å; L133-F137 HydrophobicContact CD2-CD2 4.35Å; L133-F137 HydrophobicContact CD2-CE2 3.95Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 PolarHBondContact O-N 3.2Å; L133-I154 HydrophobicContact CB-CD1 4.09Å; L133-I154 HydrophobicContact CB-CG2 3.94Å
134A88.7Confident87.2Confident0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-58.7-38178.500000112.1Y130 H138 F151 F200 F204Y130-A134 HydrophobicContact CE1-CB 4.46Å; Y130-A134 HydrophobicContact CE2-CB 4.29Å; Y130-A134 WeakPolarHBondContact O-CB 3.38Å; Y130-A134 PolarHBondContact O-N 3.41Å; A134-H138 WeakPolarHBondContact O-CB 3.27Å; A134-H138 PolarHBondContact O-N 3.43Å; A134-F151 HydrophobicContact CB-CE2 3.99Å; A134-F200 HydrophobicContact CB-CD2 3.8Å; A134-F200 HydrophobicContact CB-CE2 4.07Å; A134-F204 HydrophobicContact CB-CE2 4.43Å
135L88Confident87Confident70 Ų7064.5 Ų64.537%0.36631%0.305SS..Hα-helixtrans-70.1-33.7172.9-70.7172.6000113.6R131 L133 F200 F204R131-L135 VanDerWaalsContact O-CG 3.32Å; R131-L135 WeakPolarHBondContact O-CG 3.32Å; R131-L135 PolarHBondContact O-N 2.87Å; R131-L135 VanDerWaalsContact O-N 3.17Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.3Å; L135-F200 HydrophobicContact CD2-CE2 4.24Å; L135-F200 HydrophobicContact CD2-CZ 4.21Å; L135-F204 HydrophobicContact CD1-CE1 3.89Å; L135-F204 HydrophobicContact CD1-CZ 4.06Å; L135-F204 HydrophobicContact CD2-CD1 4.4Å; L135-F204 HydrophobicContact CD2-CE1 4.02Å; L135-F204 HydrophobicContact CD2-CZ 4.19Å; L135-F204 HydrophobicContact CG-CE1 3.98Å; L135-F204 HydrophobicContact CG-CZ 3.83Å
136K87Confident86.7Confident78 Ų7861.6 Ų61.634%0.33930%0.298SS..Hα-helixtrans-74.7-30.9179.2-173.3170.4-175168.90112.4E97 K132 L133 N142E97-K136 IonicContact OE1-NZ 3.71Å; E97-K136 PolarHBondContact OE1-NZ 3.26Å; K132-K136 PolarHBondContact O-N 2.85Å; L133-K136 WeakPolarHBondContact O-CA 3.23Å; L133-K136 PolarHBondContact O-N 3.34Å; K136-N142 WeakPolarHBondContact O-CB 3.45Å; K136-N142 PolarHBondContact O-ND2 3.14Å
137F87.7Confident86.3Confident3 Ų361.4 Ų61.41%0.01330%0.297CS..Hα-helixtrans-107.65.2-175.8-72.3-87.8000114.1A101 V102 L133 A150 F151 I154A101-F137 HydrophobicContact CB-CE1 4.2Å; A101-F137 HydrophobicContact CB-CZ 3.64Å; V102-F137 HydrophobicContact CB-CE1 4.26Å; V102-F137 HydrophobicContact CG2-CD1 3.87Å; V102-F137 HydrophobicContact CG2-CE1 3.56Å; L133-F137 HydrophobicContact CD2-CD2 4.35Å; L133-F137 HydrophobicContact CD2-CE2 3.95Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 PolarHBondContact O-N 3.2Å; F137-A150 HydrophobicContact CD1-CB 3.82Å; F137-A150 HydrophobicContact CE1-CB 3.96Å; F137-F151 HydrophobicContact CB-CB 4.31Å; F137-F151 HydrophobicContact CB-CD2 4.21Å; F137-I154 HydrophobicContact CB-CD1 3.88Å; F137-I154 HydrophobicContact CD1-CD1 4.31Å; F137-I154 HydrophobicContact CD2-CD1 3.39Å; F137-I154 HydrophobicContact CE2-CD1 3.92Å; F137-I154 HydrophobicContact CG-CD1 3.6Å
138H86.1Confident86Confident35 Ų3561.8 Ų61.816%0.16231%0.305CS..  trans-57.6134.3177.7-166.7-85.4000111.1A134 D140 K141 N142 F200A134-H138 WeakPolarHBondContact O-CB 3.27Å; A134-H138 PolarHBondContact O-N 3.43Å; H138-D140 IonicContact CE1-OD1 3.76Å; H138-D140 IonicContact CE1-OD2 3.78Å; H138-D140 PolarHBondContact CE1-OD2 2.89Å; H138-D140 VanDerWaalsContact CE1-OD2 3.27Å; H138-D140 WeakPolarHBondContact ND1-CB 3.46Å; H138-D140 PolarHBondContact ND1-N 3.42Å; H138-D140 VanDerWaalsContact ND1-N 3.15Å; H138-D140 IonicContact ND1-OD2 2.67Å; H138-D140 PolarHBondContact O-N 3.08Å; H138-K141 PolarHBondContact O-N 3.05Å; H138-N142 PolarHBondContact O-N 3.2Å; H138-F200 AromaticContact CD2-CE1 3.69Å; H138-F200 AromaticContact CD2-CZ 3.6Å; H138-F200 AromaticContact NE2-CE1 3.73Å
139P82.4Confident85.9Confident52 Ų5258.9 Ų58.934%0.33830%0.298SS..THydrogen-bonded Turntrans-57.6-33.8-176.121.3-33.5000113.4K141P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 2.9Å
140D80.8Confident85.6Confident127 Ų12757.7 Ų57.768%0.67929%0.29SS*.THydrogen-bonded Turntrans-68.2-27176.4-61.5-5.7000114H138H138-D140 IonicContact CE1-OD1 3.76Å; H138-D140 IonicContact CE1-OD2 3.78Å; H138-D140 PolarHBondContact CE1-OD2 2.89Å; H138-D140 VanDerWaalsContact CE1-OD2 3.27Å; H138-D140 WeakPolarHBondContact ND1-CB 3.46Å; H138-D140 PolarHBondContact ND1-N 3.42Å; H138-D140 VanDerWaalsContact ND1-N 3.15Å; H138-D140 IonicContact ND1-OD2 2.67Å; H138-D140 PolarHBondContact O-N 3.08Å
141K79.4Confident85.5Confident143 Ų14357.8 Ų57.862%0.62229%0.291SS*.THydrogen-bonded Turntrans-105-23.8-174.7-68.1-169.1176.8-172.10113.6Q98 H138 P139Q98-K141 PolarHBondContact NE2-O 2.95Å; H138-K141 PolarHBondContact O-N 3.05Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 2.9Å
142N83.5Confident85.5Confident2 Ų258.4 Ų58.41%0.01130%0.296CS..  trans-127.899.8-179.4-172.6-5.4000109.8K136 H138 A144 A147K136-N142 WeakPolarHBondContact O-CB 3.45Å; K136-N142 PolarHBondContact O-ND2 3.14Å; H138-N142 PolarHBondContact O-N 3.2Å; N142-A144 VanDerWaalsContact C-N 3.3Å; N142-A144 WeakPolarHBondContact OD1-CB 3.46Å; N142-A144 PolarHBondContact OD1-N 3.47Å; N142-A147 HydrophobicContact CB-CB 4.29Å; N142-A147 VanDerWaalsContact O-CB 3.23Å; N142-A147 WeakPolarHBondContact O-CB 3.43Å
143Q81.6Confident85.4Confident119 Ų11952.2 Ų52.256%0.55627%0.274SS*.  trans-92.915.7178.1-62.41803.500112.4S93S93-Q143 VanDerWaalsContact CB-OE1 3.24Å; S93-Q143 WeakPolarHBondContact OG-CB 3.37Å; S93-Q143 PolarHBondContact OG-OE1 2.98Å
144A83.5Confident85.3Confident5 Ų550.8 Ų50.84%0.04127%0.267CS..SBendtrans-63.6144.6176.100000110.9Y94 L99 V102 N142 G146 A147Y94-A144 HydrophobicContact CD1-CB 4.34Å; Y94-A144 HydrophobicContact CD2-CB 3.96Å; Y94-A144 HydrophobicContact CG-CB 3.81Å; L99-A144 HydrophobicContact CD1-CB 4.36Å; V102-A144 HydrophobicContact CG2-CB 4.21Å; N142-A144 VanDerWaalsContact C-N 3.3Å; N142-A144 WeakPolarHBondContact OD1-CB 3.46Å; N142-A144 PolarHBondContact OD1-N 3.47Å; A144-G146 PolarHBondContact O-N 2.98Å; A144-A147 WeakPolarHBondContact O-CB 3.23Å; A144-A147 PolarHBondContact O-N 2.96Å
145P83.8Confident85.3Confident81 Ų8150.9 Ų50.953%0.52627%0.268SS..THydrogen-bonded Turntrans-58.9123.2177.924.5-34.8000110.6L99 V102L99-P145 HydrophobicContact CD1-CG 3.66Å; V102-P145 WeakPolarHBondContact CG1-O 3.32Å
146G82.6Confident85.3Confident23 Ų2349.3 Ų49.324%0.23726%0.26CS..THydrogen-bonded Turntrans88.13.8-177.200000115.3V102 A144 T148 E149 A150V102-G146 WeakPolarHBondContact CG1-O 3.39Å; A144-G146 PolarHBondContact O-N 2.98Å; G146-T148 VanDerWaalsContact C-N 3.3Å; G146-T148 PolarHBondContact O-N 3.48Å; G146-E149 PolarHBondContact O-N 3.27Å; G146-A150 PolarHBondContact O-N 3.45Å
147A83.3Confident85.5Confident2 Ų245.6 Ų45.62%0.01724%0.244CC..Hα-helixtrans-59.3-39.7177.200000112.6V102 N142 A144 E149 A150 F151V102-A147 HydrophobicContact CG2-CB 4Å; N142-A147 HydrophobicContact CB-CB 4.29Å; N142-A147 VanDerWaalsContact O-CB 3.23Å; N142-A147 WeakPolarHBondContact O-CB 3.43Å; A144-A147 WeakPolarHBondContact O-CB 3.23Å; A144-A147 PolarHBondContact O-N 2.96Å; A147-E149 VanDerWaalsContact C-N 3.35Å; A147-E149 PolarHBondContact O-N 2.87Å; A147-A150 PolarHBondContact O-N 2.93Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.41Å
148T84.9Confident85.6Confident72 Ų7246.1 Ų46.144%0.44225%0.246SC..Hα-helixtrans-61.7-40.5175.5-48.70000112.3G146 F151 K152G146-T148 VanDerWaalsContact C-N 3.3Å; G146-T148 PolarHBondContact O-N 3.48Å; T148-F151 PolarHBondContact O-N 3.4Å; T148-K152 WeakPolarHBondContact O-CG 2.97Å; T148-K152 PolarHBondContact O-N 3.46Å
149E86.2Confident85.7Confident109 Ų10945.4 Ų45.451%0.50925%0.245SC..Hα-helixtrans-68.6-41.9177.6-65.4173.5-177.600111.2K106 G146 A147 F151 K152 A153K106-E149 HydrophobicContact CD-CB 4.47Å; K106-E149 WeakPolarHBondContact CE-OE2 3.37Å; K106-E149 IonicContact NZ-OE2 2.83Å; K106-E149 PolarHBondContact NZ-OE2 3Å; G146-E149 PolarHBondContact O-N 3.27Å; A147-E149 VanDerWaalsContact C-N 3.35Å; A147-E149 PolarHBondContact O-N 2.87Å; E149-F151 VanDerWaalsContact C-N 3.33Å; E149-F151 PolarHBondContact O-N 3.47Å; E149-K152 PolarHBondContact O-N 2.94Å; E149-A153 PolarHBondContact O-N 3.24Å
150A86.9Confident86Confident0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-62.5-40.1173.700000111.8V102 T105 K106 F137 G146 A147 A153 I154V102-A150 HydrophobicContact CG1-CB 4.23Å; T105-A150 HydrophobicContact CG2-CB 3.97Å; K106-A150 HydrophobicContact CG-CB 4.47Å; F137-A150 HydrophobicContact CD1-CB 3.82Å; F137-A150 HydrophobicContact CE1-CB 3.96Å; G146-A150 PolarHBondContact O-N 3.45Å; A147-A150 PolarHBondContact O-N 2.93Å; A150-A153 PolarHBondContact O-N 3.08Å; A150-I154 WeakPolarHBondContact O-CD1 3.29Å; A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.46Å; A150-I154 PolarHBondContact O-N 2.81Å
151F89.3Confident86.4Confident4 Ų437.2 Ų37.22%0.01820%0.199CC..Hα-helixtrans-62.3-43.5175.1-176.7-102.5000111.9A134 F137 A147 T148 E149 A153 I154 G155 P196 E197 F200A134-F151 HydrophobicContact CB-CE2 3.99Å; F137-F151 HydrophobicContact CB-CB 4.31Å; F137-F151 HydrophobicContact CB-CD2 4.21Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.41Å; T148-F151 PolarHBondContact O-N 3.4Å; E149-F151 VanDerWaalsContact C-N 3.33Å; E149-F151 PolarHBondContact O-N 3.47Å; F151-A153 PolarHBondContact O-N 2.86Å; F151-I154 PolarHBondContact O-N 3.05Å; F151-G155 PolarHBondContact O-N 3.21Å; F151-P196 HydrophobicContact CD1-CB 4.18Å; F151-P196 HydrophobicContact CE1-CB 3.87Å; F151-E197 HydrophobicContact CE1-CG 4.46Å; F151-F200 HydrophobicContact CE2-CD2 4.47Å; F151-F200 HydrophobicContact CZ-CB 4.13Å; F151-F200 HydrophobicContact CZ-CD2 4.34Å; F151-F200 HydrophobicContact CZ-CG 4.37Å
152K88Confident86.9Confident113 Ų11333.2 Ų33.249%0.49119%0.189SC..Hα-helixtrans-60.8-43.6173.9-73.2178.9177.7-171.50112.1T148 E149 I154 G155 N156 P196T148-K152 WeakPolarHBondContact O-CG 2.97Å; T148-K152 PolarHBondContact O-N 3.46Å; E149-K152 PolarHBondContact O-N 2.94Å; K152-I154 PolarHBondContact O-N 2.95Å; K152-G155 PolarHBondContact O-N 3.17Å; K152-N156 PolarHBondContact O-N 2.91Å; K152-P196 HydrophobicContact CB-CG 4.46Å; K152-P196 HydrophobicContact CG-CG 4.3Å
153A88.2Confident87Confident29 Ų2936.2 Ų36.224%0.2421%0.205CC..Hα-helixtrans-61.2-42.3176.300000112.2I114 E149 A150 F151 N156 A157I114-A153 HydrophobicContact CD1-CB 4.5Å; E149-A153 PolarHBondContact O-N 3.24Å; A150-A153 PolarHBondContact O-N 3.08Å; F151-A153 PolarHBondContact O-N 2.86Å; A153-N156 PolarHBondContact O-N 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.39Å; A153-A157 PolarHBondContact O-N 2.94Å
154I90.5Very high87.2Confident0 Ų034.3 Ų34.30%021%0.209CC..Hα-helixtrans-62.5-43.9174.8-68.5158.2000111.2T105 I114 L115 Y130 L133 F137 A150 F151 K152 Y158T105-I154 HydrophobicContact CG2-CD1 4.14Å; T105-I154 HydrophobicContact CG2-CG1 3.94Å; I114-I154 HydrophobicContact CG2-CB 4.5Å; I114-I154 HydrophobicContact CG2-CG1 3.92Å; L115-I154 HydrophobicContact CD2-CG2 3.95Å; Y130-I154 HydrophobicContact CD2-CG2 3.88Å; Y130-I154 HydrophobicContact CE2-CG2 4.08Å; L133-I154 HydrophobicContact CB-CD1 4.09Å; L133-I154 HydrophobicContact CB-CG2 3.94Å; F137-I154 HydrophobicContact CB-CD1 3.88Å; F137-I154 HydrophobicContact CD1-CD1 4.31Å; F137-I154 HydrophobicContact CD2-CD1 3.39Å; F137-I154 HydrophobicContact CE2-CD1 3.92Å; F137-I154 HydrophobicContact CG-CD1 3.6Å; A150-I154 WeakPolarHBondContact O-CD1 3.29Å; A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.46Å; A150-I154 PolarHBondContact O-N 2.81Å; F151-I154 PolarHBondContact O-N 3.05Å; K152-I154 PolarHBondContact O-N 2.95Å; I154-Y158 PolarHBondContact O-N 3.2Å; I154-Y158 VanDerWaalsContact O-N 3.1Å
155G88.7Confident87.2Confident2 Ų239.1 Ų39.12%0.02123%0.234CC..Hα-helixtrans-61.4-45.8176.200000112.8F151 K152 Y158 A159F151-G155 PolarHBondContact O-N 3.21Å; K152-G155 PolarHBondContact O-N 3.17Å; G155-Y158 PolarHBondContact O-N 3.3Å; G155-A159 WeakPolarHBondContact O-CB 3.48Å; G155-A159 PolarHBondContact O-N 3.26Å
156N87.9Confident87.2Confident36 Ų3637.4 Ų37.419%0.19322%0.219CC..Hα-helixtrans-63.5-47.8178.2-167.87.3000111.8K152 A153 Y158 A159 V160 F190K152-N156 PolarHBondContact O-N 2.91Å; A153-N156 PolarHBondContact O-N 3.23Å; N156-Y158 PolarHBondContact O-N 3.44Å; N156-A159 PolarHBondContact O-N 3.25Å; N156-A159 VanDerWaalsContact O-N 3.07Å; N156-V160 PolarHBondContact O-N 3.34Å; N156-F190 PolarHBondContact ND2-O 2.87Å; N156-F190 PolarHBondContact OD1-O 3.48Å
157A90Very high87.5Confident0 Ų039.1 Ų39.10%022%0.218CC..Hα-helixtrans-55.1-42.8176.900000111.5F111 I114 L115 A153 L161F111-A157 HydrophobicContact CB-CB 3.77Å; F111-A157 HydrophobicContact CD1-CB 3.71Å; F111-A157 HydrophobicContact CG-CB 3.87Å; I114-A157 HydrophobicContact CB-CB 4.28Å; I114-A157 HydrophobicContact CG2-CB 3.9Å; L115-A157 HydrophobicContact CD1-CB 4.13Å; L115-A157 HydrophobicContact CD2-CB 4.21Å; L115-A157 HydrophobicContact CG-CB 3.82Å; A153-A157 WeakPolarHBondContact O-CB 3.39Å; A153-A157 PolarHBondContact O-N 2.94Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.32Å; A157-L161 VanDerWaalsContact O-CG 3.3Å; A157-L161 WeakPolarHBondContact O-CG 3.35Å; A157-L161 PolarHBondContact O-N 3.03Å
158Y91.1Very high87.6Confident15 Ų1547.4 Ų47.46%0.05925%0.249CC..Hα-helixtrans-68.8-42.7176-177.6-90.7000112.6L126 K127 Y130 I154 G155 N156 V160 L161 S162 L199L126-Y158 HydrophobicContact CD1-CD2 4.46Å; L126-Y158 HydrophobicContact CD2-CD2 4.22Å; L126-Y158 HydrophobicContact CD2-CE2 4.11Å; L126-Y158 HydrophobicContact CG-CD2 3.92Å; L126-Y158 HydrophobicContact CG-CE2 3.92Å; K127-Y158 HydrophobicContact CG-CE2 4.32Å; K127-Y158 WeakPolarHBondContact CG-OH 3.26Å; Y130-Y158 HydrophobicContact CD1-CD1 4.43Å; Y130-Y158 HydrophobicContact CD1-CD2 4.16Å; Y130-Y158 HydrophobicContact CD1-CE2 4.26Å; Y130-Y158 HydrophobicContact CD1-CG 4.21Å; Y130-Y158 HydrophobicContact CD2-CD1 4.45Å; Y130-Y158 HydrophobicContact CD2-CD2 4.03Å; Y130-Y158 AromaticContact CD2-CG 3.74Å; Y130-Y158 HydrophobicContact CD2-CG 3.74Å; Y130-Y158 HydrophobicContact CE2-CG 4.28Å; Y130-Y158 HydrophobicContact CG-CD1 4.35Å; Y130-Y158 AromaticContact CG-CD2 3.59Å; Y130-Y158 HydrophobicContact CG-CD2 3.59Å; Y130-Y158 HydrophobicContact CG-CE2 4.08Å; Y130-Y158 AromaticContact CG-CG 3.71Å; Y130-Y158 HydrophobicContact CG-CG 3.71Å; I154-Y158 PolarHBondContact O-N 3.2Å; I154-Y158 VanDerWaalsContact O-N 3.1Å; G155-Y158 PolarHBondContact O-N 3.3Å; N156-Y158 PolarHBondContact O-N 3.44Å; Y158-V160 PolarHBondContact O-N 2.94Å; Y158-L161 PolarHBondContact O-N 3.43Å; Y158-S162 WeakPolarHBondContact O-CB 3.43Å; Y158-S162 PolarHBondContact O-N 2.64Å; Y158-S162 PolarHBondContact O-OG 3.24Å; Y158-L199 HydrophobicContact CD1-CD1 4.03Å; Y158-L199 HydrophobicContact CD1-CD2 3.52Å; Y158-L199 HydrophobicContact CD1-CG 4.22Å; Y158-L199 HydrophobicContact CE1-CD1 3.91Å; Y158-L199 HydrophobicContact CE1-CD2 4.23Å; Y158-L199 HydrophobicContact CE1-CG 4.46Å; Y158-L199 HydrophobicContact CG-CD2 4.32Å
159A87.6Confident87.4Confident19 Ų1948.3 Ų48.316%0.15725%0.248CC..Hα-helixtrans-59.6-35.4178.800000112.6G155 N156 P192G155-A159 WeakPolarHBondContact O-CB 3.48Å; G155-A159 PolarHBondContact O-N 3.26Å; N156-A159 PolarHBondContact O-N 3.25Å; N156-A159 VanDerWaalsContact O-N 3.07Å; A159-P192 HydrophobicContact CB-CB 3.73Å
160V88.4Confident87.3Confident3 Ų343.9 Ų43.92%0.01823%0.227CC..Hα-helixtrans-77.7-50.4176.5175.90000111.1F111 N156 Y158 S162 N163 K166 R167 Y170 F190F111-V160 HydrophobicContact CD2-CB 3.89Å; F111-V160 HydrophobicContact CD2-CG1 3.83Å; F111-V160 HydrophobicContact CD2-CG2 4.35Å; F111-V160 HydrophobicContact CE2-CB 3.78Å; F111-V160 HydrophobicContact CE2-CG1 3.78Å; F111-V160 HydrophobicContact CE2-CG2 3.73Å; F111-V160 HydrophobicContact CZ-CG2 4.38Å; N156-V160 PolarHBondContact O-N 3.34Å; Y158-V160 PolarHBondContact O-N 2.94Å; V160-S162 PolarHBondContact O-N 3.13Å; V160-N163 PolarHBondContact O-N 3.2Å; V160-K166 HydrophobicContact CG1-CB 4.2Å; V160-R167 PolarHBondContact O-N 3.39Å; V160-Y170 HydrophobicContact CG1-CG 4.11Å; V160-F190 HydrophobicContact CG2-CD1 4.12Å
161L90Very high87.3Confident5 Ų547.7 Ų47.73%0.02625%0.247CC..Hα-helixtrans-73.3-24.6-174.9-67.9179.7000114.1F111 Y112 L115 F121 L126 A157 Y158 N163 R167 Y170F111-L161 HydrophobicContact CB-CD1 3.71Å; F111-L161 HydrophobicContact CB-CD2 4.4Å; F111-L161 HydrophobicContact CB-CG 3.96Å; Y112-L161 HydrophobicContact CD1-CD1 4.11Å; Y112-L161 HydrophobicContact CD1-CD2 4.32Å; Y112-L161 HydrophobicContact CE1-CD1 4.34Å; Y112-L161 HydrophobicContact CE1-CD2 3.79Å; Y112-L161 HydrophobicContact CE2-CD2 4.02Å; Y112-L161 HydrophobicContact CG-CD1 4.38Å; L115-L161 HydrophobicContact CD1-CD1 3.8Å; F121-L161 HydrophobicContact CE1-CB 4.43Å; F121-L161 HydrophobicContact CE1-CD1 4.31Å; F121-L161 HydrophobicContact CZ-CB 4.12Å; L126-L161 HydrophobicContact CD1-CB 4.09Å; L126-L161 HydrophobicContact CD1-CD1 4.41Å; L126-L161 HydrophobicContact CD2-CB 4.24Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.32Å; A157-L161 VanDerWaalsContact O-CG 3.3Å; A157-L161 WeakPolarHBondContact O-CG 3.35Å; A157-L161 PolarHBondContact O-N 3.03Å; Y158-L161 PolarHBondContact O-N 3.43Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-R167 HydrophobicContact CD2-CG 3.98Å; L161-Y170 HydrophobicContact CD2-CD1 4.33Å
162S88.6Confident86.8Confident58 Ų5853.8 Ų53.841%0.40628%0.276SS..THydrogen-bonded Turntrans-75.2-20.5176.759.70000113.5Y158 V160Y158-S162 WeakPolarHBondContact O-CB 3.43Å; Y158-S162 PolarHBondContact O-N 2.64Å; Y158-S162 PolarHBondContact O-OG 3.24Å; V160-S162 PolarHBondContact O-N 3.13Å
163N87Confident86.1Confident66 Ų6654.6 Ų54.635%0.35328%0.276SS..SBendtrans-102.1116.1177.6-174.9-48.4000110.6V160 L161 N165 K166 R167V160-N163 PolarHBondContact O-N 3.2Å; L161-N163 VanDerWaalsContact C-N 3.33Å; N163-N165 PolarHBondContact O-N 3.35Å; N163-N165 VanDerWaalsContact O-N 3.12Å; N163-N165 WeakPolarHBondContact OD1-CB 3.48Å; N163-N165 PolarHBondContact OD1-N 3.06Å; N163-K166 HydrophobicContact CB-CB 4.11Å; N163-K166 HydrophobicContact CB-CD 4.37Å; N163-K166 HydrophobicContact CB-CG 4.13Å; N163-K166 PolarHBondContact O-N 3.34Å; N163-K166 VanDerWaalsContact O-N 3.11Å; N163-K166 PolarHBondContact OD1-N 3.42Å; N163-R167 VanDerWaalsContact O-CB 3.3Å; N163-R167 WeakPolarHBondContact O-CB 3.45Å; N163-R167 PolarHBondContact O-N 2.96Å
164A85.2Confident85.1Confident78 Ų7854.6 Ų54.665%0.64528%0.279SS*.Hα-helixtrans-55.4-33.6-177.700000114.2R168A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 3.3Å; A164-R168 VanDerWaalsContact O-N 3.14Å
165N82.4Confident83.6Confident106 Ų10659.9 Ų59.957%0.56730%0.303SS*.Hα-helixtrans-73.2-48.7177-68.5-39.6000111.1N163 R167 R168 Q169N163-N165 PolarHBondContact O-N 3.35Å; N163-N165 VanDerWaalsContact O-N 3.12Å; N163-N165 WeakPolarHBondContact OD1-CB 3.48Å; N163-N165 PolarHBondContact OD1-N 3.06Å; N165-R167 PolarHBondContact O-N 3.26Å; N165-R168 PolarHBondContact O-N 3.42Å; N165-Q169 VanDerWaalsContact O-CG 3.32Å; N165-Q169 WeakPolarHBondContact O-CG 3.37Å; N165-Q169 PolarHBondContact O-N 3.28Å; N165-Q169 VanDerWaalsContact O-N 3.1Å
166K84.7Confident81.9Confident46 Ų4668 Ų6820%0.234%0.341CS..Hα-helixtrans-64.8-40.7179.6-64-170.1178.2-173.20111.4V160 N163 R168 Q169 Y170 D193V160-K166 HydrophobicContact CG1-CB 4.2Å; N163-K166 HydrophobicContact CB-CB 4.11Å; N163-K166 HydrophobicContact CB-CD 4.37Å; N163-K166 HydrophobicContact CB-CG 4.13Å; N163-K166 PolarHBondContact O-N 3.34Å; N163-K166 VanDerWaalsContact O-N 3.11Å; N163-K166 PolarHBondContact OD1-N 3.42Å; K166-R168 PolarHBondContact O-N 3.02Å; K166-Q169 PolarHBondContact O-N 3.48Å; K166-Y170 WeakPolarHBondContact O-CB 3.49Å; K166-Y170 PolarHBondContact O-N 3.15Å; K166-D193 IonicContact NZ-OD2 2.63Å; K166-D193 PolarHBondContact NZ-OD2 2.82Å
167R88.5Confident79.9Confident58 Ų5868.1 Ų68.122%0.21935%0.351CS..Hα-helixtrans-56.6-47.6172.4-179.8176.4172.1-176.6-2.9112.1Y112 K119 V160 L161 N163 N165 Q169 Y170 D171Y112-R167 PolarHBondContact OH-NE 2.89Å; Y112-R167 PolarHBondContact OH-NH2 2.91Å; K119-R167 PolarHBondContact O-NH2 3.31Å; V160-R167 PolarHBondContact O-N 3.39Å; L161-R167 HydrophobicContact CD2-CG 3.98Å; N163-R167 VanDerWaalsContact O-CB 3.3Å; N163-R167 WeakPolarHBondContact O-CB 3.45Å; N163-R167 PolarHBondContact O-N 2.96Å; N165-R167 PolarHBondContact O-N 3.26Å; R167-Q169 VanDerWaalsContact C-N 3.3Å; R167-Q169 PolarHBondContact O-N 3.49Å; R167-Y170 WeakPolarHBondContact O-CB 3.3Å; R167-Y170 PolarHBondContact O-N 3.24Å; R167-D171 IonicContact NE-OD2 3.06Å; R167-D171 WeakPolarHBondContact O-CB 3.5Å; R167-D171 VanDerWaalsContact O-CG 3.26Å; R167-D171 PolarHBondContact O-N 2.93Å
168R84.6Confident77.8Confident177 Ų17779.1 Ų79.167%0.66839%0.392SS*.Hα-helixtrans-61.3-39.3177.6-177.5-178.2-70.4164-1.4112.2A164 N165 K166 Q172A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 3.3Å; A164-R168 VanDerWaalsContact O-N 3.14Å; N165-R168 PolarHBondContact O-N 3.42Å; K166-R168 PolarHBondContact O-N 3.02Å; R168-Q172 WeakPolarHBondContact O-CB 3.47Å; R168-Q172 PolarHBondContact O-N 3.27Å; R168-Q172 VanDerWaalsContact O-N 3.1Å
169Q80.9Confident75.2Confident91 Ų9185.2 Ų85.243%0.42542%0.421SS..Hα-helixtrans-65.8-44.9176.3-62.317926.900110.7N165 K166 R167 D171 Q172 W173N165-Q169 VanDerWaalsContact O-CG 3.32Å; N165-Q169 WeakPolarHBondContact O-CG 3.37Å; N165-Q169 PolarHBondContact O-N 3.28Å; N165-Q169 VanDerWaalsContact O-N 3.1Å; K166-Q169 PolarHBondContact O-N 3.48Å; R167-Q169 VanDerWaalsContact C-N 3.3Å; R167-Q169 PolarHBondContact O-N 3.49Å; Q169-D171 PolarHBondContact O-N 3.03Å; Q169-Q172 PolarHBondContact O-N 3.46Å; Q169-W173 HydrophobicContact CB-CE3 3.87Å; Q169-W173 HydrophobicContact CB-CZ3 3.8Å; Q169-W173 HydrophobicContact CG-CE3 4.41Å; Q169-W173 HydrophobicContact CG-CZ3 3.83Å; Q169-W173 VanDerWaalsContact O-CE3 3.28Å; Q169-W173 PolarHBondContact O-N 3.12Å
170Y84.1Confident72.9Confident15 Ų1590.4 Ų90.46%0.05945%0.453CS..Hα-helixtrans-59.8-44.3174.5176.6-100.7000112.5D110 F111 Y112 V160 L161 K166 R167 Q172 W173 G174 E175D110-Y170 WeakPolarHBondContact CA-OH 3.33Å; D110-Y170 PolarHBondContact OD1-OH 3.45Å; F111-Y170 HydrophobicContact CB-CE1 4.05Å; F111-Y170 HydrophobicContact CB-CE2 4.5Å; F111-Y170 HydrophobicContact CD1-CE2 4.47Å; F111-Y170 HydrophobicContact CD2-CD1 4.05Å; F111-Y170 AromaticContact CD2-CD2 3.44Å; F111-Y170 HydrophobicContact CD2-CD2 3.44Å; F111-Y170 VanDerWaalsContact CD2-CD2 3.44Å; F111-Y170 AromaticContact CD2-CE1 3.88Å; F111-Y170 HydrophobicContact CD2-CE1 3.88Å; F111-Y170 AromaticContact CD2-CE2 3.24Å; F111-Y170 HydrophobicContact CD2-CE2 3.24Å; F111-Y170 AromaticContact CD2-CG 3.84Å; F111-Y170 HydrophobicContact CD2-CG 3.84Å; F111-Y170 AromaticContact CD2-CZ 3.49Å; F111-Y170 VanDerWaalsContact CD2-CZ 3.49Å; F111-Y170 AromaticContact CE2-CD2 3.39Å; F111-Y170 HydrophobicContact CE2-CD2 3.39Å; F111-Y170 AromaticContact CE2-CE2 3.39Å; F111-Y170 HydrophobicContact CE2-CE2 3.39Å; F111-Y170 HydrophobicContact CE2-CG 4.12Å; F111-Y170 HydrophobicContact CG-CD2 4.45Å; F111-Y170 HydrophobicContact CG-CE1 4.24Å; F111-Y170 AromaticContact CG-CE2 3.84Å; F111-Y170 HydrophobicContact CG-CE2 3.84Å; F111-Y170 AromaticContact CG-CZ 3.73Å; F111-Y170 HydrophobicContact CZ-CD2 4.38Å; F111-Y170 HydrophobicContact CZ-CE2 4.1Å; F111-Y170 PolarHBondContact N-OH 3.35Å; Y112-Y170 HydrophobicContact CD2-CE1 4.06Å; Y112-Y170 HydrophobicContact CE2-CD1 4.15Å; Y112-Y170 AromaticContact CE2-CE1 3.76Å; Y112-Y170 HydrophobicContact CE2-CE1 3.76Å; V160-Y170 HydrophobicContact CG1-CG 4.11Å; L161-Y170 HydrophobicContact CD2-CD1 4.33Å; K166-Y170 WeakPolarHBondContact O-CB 3.49Å; K166-Y170 PolarHBondContact O-N 3.15Å; R167-Y170 WeakPolarHBondContact O-CB 3.3Å; R167-Y170 PolarHBondContact O-N 3.24Å; Y170-Q172 PolarHBondContact O-N 3.12Å; Y170-W173 PolarHBondContact O-N 3.25Å; Y170-G174 VanDerWaalsContact O-CA 3.24Å; Y170-G174 WeakPolarHBondContact O-CA 3.29Å; Y170-G174 PolarHBondContact O-N 3.48Å; Y170-E175 HydrophobicContact CE2-CB 4.41Å
171D86.9Confident70.4Confident81 Ų8194.2 Ų94.243%0.43348%0.48SS..Hα-helixtrans-65.9-27178.1-69.4-25.5000112.8Y112 R167 Q169Y112-D171 WeakPolarHBondContact CE2-OD1 3.41Å; Y112-D171 VanDerWaalsContact OH-CG 3.24Å; Y112-D171 PolarHBondContact OH-OD1 3.11Å; Y112-D171 PolarHBondContact OH-OD2 2.9Å; Y112-D171 VanDerWaalsContact OH-OD2 3.12Å; R167-D171 IonicContact NE-OD2 3.06Å; R167-D171 WeakPolarHBondContact O-CB 3.5Å; R167-D171 VanDerWaalsContact O-CG 3.26Å; R167-D171 PolarHBondContact O-N 2.93Å; Q169-D171 PolarHBondContact O-N 3.03Å
172Q79.6Confident67.8Low132 Ų13299.5 Ų99.562%0.61752%0.517SS*.Hα-helixtrans-84.5-31-178.7-176.7161.762.400113.4R168 Q169 Y170R168-Q172 WeakPolarHBondContact O-CB 3.47Å; R168-Q172 PolarHBondContact O-N 3.27Å; R168-Q172 VanDerWaalsContact O-N 3.1Å; Q169-Q172 PolarHBondContact O-N 3.46Å; Y170-Q172 PolarHBondContact O-N 3.12Å
173W72.7Confident65.3Low130 Ų130103.4 Ų103.449%0.49255%0.545SS..Hα-helixtrans-125.8-12.3-167.7-74.4-55.3000114Q169 Y170 G177Q169-W173 HydrophobicContact CB-CE3 3.87Å; Q169-W173 HydrophobicContact CB-CZ3 3.8Å; Q169-W173 HydrophobicContact CG-CE3 4.41Å; Q169-W173 HydrophobicContact CG-CZ3 3.83Å; Q169-W173 VanDerWaalsContact O-CE3 3.28Å; Q169-W173 PolarHBondContact O-N 3.12Å; Y170-W173 PolarHBondContact O-N 3.25Å; W173-G177 WeakPolarHBondContact O-CA 3.5Å; W173-G177 PolarHBondContact O-N 3.06Å
174G68.4Low62.8Low29 Ų29102.6 Ų102.630%0.29955%0.552SS.*  trans66.5-172.6-172.200000112.8Y170 E176Y170-G174 VanDerWaalsContact O-CA 3.24Å; Y170-G174 WeakPolarHBondContact O-CA 3.29Å; Y170-G174 PolarHBondContact O-N 3.48Å; G174-E176 PolarHBondContact O-N 3.07Å
175E57.6Low60.5Low110 Ų110105.8 Ų105.851%0.51457%0.566SS.*THydrogen-bonded Turntrans-64.2-26.1170.9-165.8-169.7-171.900111.7K109 Y170K109-E175 WeakPolarHBondContact CB-OE2 3.47Å; Y170-E175 HydrophobicContact CE2-CB 4.41Å
176E53.8Low58.2Low173 Ų173109.2 Ų109.281%0.80858%0.578SS**THydrogen-bonded Turntrans-103.52.5-166.5-153.3150.4-154.900114.2G174 R178G174-E176 PolarHBondContact O-N 3.07Å; E176-R178 VanDerWaalsContact C-N 3.26Å; E176-R178 PolarHBondContact O-N 3.09Å
177G45.8Very low55.8Low39 Ų39114.3 Ų114.340%0.40261%0.608SS.*  trans-77.376-177.800000113.4W173W173-G177 WeakPolarHBondContact O-CA 3.5Å; W173-G177 PolarHBondContact O-N 3.06Å
178R45.3Very low53.6Low230 Ų230115.3 Ų115.387%0.86864%0.637SS**  trans-66.9118.2170.1-139.9179.4-161.5-170.55109.7E176E176-R178 VanDerWaalsContact C-N 3.26Å; E176-R178 PolarHBondContact O-N 3.09Å
179H37.9Very low51.6Low143 Ų143114.2 Ų114.266%0.66264%0.639SS**  trans-92.9116159.6-139.8-80000108.1S181H179-S181 PolarHBondContact ND1-OG 3.11Å; H179-S181 PolarHBondContact O-N 3.23Å
180P37.7Very low50.2Low128 Ų128113.7 Ų113.783%0.83164%0.635SS**THydrogen-bonded Turntrans-7934.9-177.534.1-36.3000112.8
181S36.9Very low48.7Very low83 Ų83120 Ų12058%0.5867%0.665SS**THydrogen-bonded Turntrans-132.523-171.971.50000115.1H179H179-S181 PolarHBondContact ND1-OG 3.11Å; H179-S181 PolarHBondContact O-N 3.23Å
182S34.8Very low47.3Very low117 Ų117117.9 Ų117.982%0.81866%0.656SS**  trans-116.693.5163.4-108.30000109.2G184S182-G184 VanDerWaalsContact C-N 3.31Å; S182-G184 PolarHBondContact O-N 3.35Å
183S36.8Very low46.3Very low140 Ų140118.3 Ų118.398%0.97966%0.663SS**  trans-70.390164.4-58.60000108.3
184G33.8Very low46Very low49 Ų49116.1 Ų116.151%0.50566%0.66SS.*  trans-148.1139.1169.800000109S182 E186S182-G184 VanDerWaalsContact C-N 3.31Å; S182-G184 PolarHBondContact O-N 3.35Å; G184-E186 PolarHBondContact O-N 3.15Å
185P36.6Very low46.2Very low144 Ų144116.7 Ų116.794%0.93566%0.659SS**SBendtrans-82.171-176.534.9-32.7000109.7
186E35.8Very low47Very low178 Ų178112.1 Ų112.183%0.83264%0.639SS**SBendtrans-137.8118.9169.3-115.6172.8142.800108.1G184 G188G184-E186 PolarHBondContact O-N 3.15Å; E186-G188 PolarHBondContact O-N 3.41Å; E186-G188 VanDerWaalsContact O-N 3.08Å
187N34.2Very low47.9Very low153 Ų153107.3 Ų107.382%0.81862%0.616SS**  trans-55.2114.5-179.6-80.4-31.6000109.9H189N187-H189 VanDerWaalsContact C-N 3.29Å; N187-H189 PolarHBondContact O-N 3.06Å
188G40.5Very low49.3Very low80 Ų80109.8 Ų109.883%0.82562%0.62SS**  trans-69.974.3-176.300000114.2E186E186-G188 PolarHBondContact O-N 3.41Å; E186-G188 VanDerWaalsContact O-N 3.08Å
189H44.4Very low50.7Low154 Ų15499.3 Ų99.371%0.71358%0.581SS**SBendtrans-97.6148.9152.1-71.4-77.2000108N187 E191N187-H189 VanDerWaalsContact C-N 3.29Å; N187-H189 PolarHBondContact O-N 3.06Å; H189-E191 HydrophobicContact CB-CG 4.12Å; H189-E191 PolarHBondContact O-N 3.03Å
190F51.4Low52.6Low79 Ų7993.7 Ų93.735%0.34656%0.555SS.*  trans-62.876.7155.2-85-94.4000106.2N156 V160 P192N156-F190 PolarHBondContact ND2-O 2.87Å; N156-F190 PolarHBondContact OD1-O 3.48Å; V160-F190 HydrophobicContact CG2-CD1 4.12Å; F190-P192 WeakPolarHBondContact O-CD 3.43Å
191E52.2Low54.6Low149 Ų14991.7 Ų91.770%0.69654%0.537SS*.  trans-71122.5172.6-86.3-151.2134.100106.8H189 D193H189-E191 HydrophobicContact CB-CG 4.12Å; H189-E191 PolarHBondContact O-N 3.03Å; E191-D193 PolarHBondContact O-N 3.35Å
192P56.8Low56.4Low36 Ų3691.7 Ų91.723%0.23453%0.529CS..  trans-66.8134.2173.830-33.8000108.1A159 F190 I194A159-P192 HydrophobicContact CB-CB 3.73Å; F190-P192 WeakPolarHBondContact O-CD 3.43Å; P192-I194 VanDerWaalsContact CB-O 3.3Å; P192-I194 WeakPolarHBondContact CB-O 3.31Å; P192-I194 WeakPolarHBondContact CG-O 3.4Å; P192-I194 PolarHBondContact O-N 3.27Å
193D59.9Low58.2Low141 Ų14187.3 Ų87.375%0.75450%0.495SS*.SBendtrans-60-6.3174.5-53.3-54.6000112.9K166 E191K166-D193 IonicContact NZ-OD2 2.63Å; K166-D193 PolarHBondContact NZ-OD2 2.82Å; E191-D193 PolarHBondContact O-N 3.35Å
194I64.6Low60Low84 Ų8484.1 Ų84.143%0.43146%0.464SS..SBendtrans-136.4127.4-177.2-57.1174.4000107P192 D198 L199P192-I194 VanDerWaalsContact CB-O 3.3Å; P192-I194 WeakPolarHBondContact CB-O 3.31Å; P192-I194 WeakPolarHBondContact CG-O 3.4Å; P192-I194 PolarHBondContact O-N 3.27Å; I194-D198 HydrophobicContact CG2-CB 3.67Å; I194-L199 HydrophobicContact CG2-CB 4.17Å
195S73.5Confident61.5Low40 Ų4084.4 Ų84.428%0.2847%0.467SS..  trans-62.2147.2176.91280000110.6E197 D198 L199S195-E197 PolarHBondContact O-N 2.82Å; S195-E197 VanDerWaalsContact O-N 3.14Å; S195-E197 WeakPolarHBondContact OG-CB 3.31Å; S195-E197 PolarHBondContact OG-N 3.14Å; S195-E197 VanDerWaalsContact OG-N 3.12Å; S195-E197 PolarHBondContact OG-OE2 3.02Å; S195-D198 PolarHBondContact O-N 2.85Å; S195-D198 PolarHBondContact OG-N 3.47Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 2.74Å
196P74.1Confident62Low14 Ų1481.4 Ų81.49%0.09146%0.462CS..Hα-helixtrans-52.5-33.2174-28.637000113.6F151 K152 F200F151-P196 HydrophobicContact CD1-CB 4.18Å; F151-P196 HydrophobicContact CE1-CB 3.87Å; K152-P196 HydrophobicContact CB-CG 4.46Å; K152-P196 HydrophobicContact CG-CG 4.3Å; P196-F200 WeakPolarHBondContact O-CB 3.32Å; P196-F200 PolarHBondContact O-N 3.17Å
197E73.4Confident62.7Low73 Ų7375.4 Ų75.434%0.34145%0.448SS..Hα-helixtrans-69.7-42175-60.473.1-160.100111.6F151 S195 F200 N201F151-E197 HydrophobicContact CE1-CG 4.46Å; S195-E197 PolarHBondContact O-N 2.82Å; S195-E197 VanDerWaalsContact O-N 3.14Å; S195-E197 WeakPolarHBondContact OG-CB 3.31Å; S195-E197 PolarHBondContact OG-N 3.14Å; S195-E197 VanDerWaalsContact OG-N 3.12Å; S195-E197 PolarHBondContact OG-OE2 3.02Å; E197-F200 PolarHBondContact O-N 3.38Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 3.38Å; E197-N201 PolarHBondContact O-ND2 3.39Å; E197-N201 VanDerWaalsContact O-ND2 3.1Å
198D74.3Confident63Low90 Ų9073.8 Ų73.848%0.48143%0.432SS..Hα-helixtrans-68.4-38.2175.6-71.1-26.7000112.3I194 S195 F200 N201 M202I194-D198 HydrophobicContact CG2-CB 3.67Å; S195-D198 PolarHBondContact O-N 2.85Å; S195-D198 PolarHBondContact OG-N 3.47Å; D198-F200 VanDerWaalsContact C-N 3.32Å; D198-N201 PolarHBondContact O-N 3.27Å; D198-M202 WeakPolarHBondContact O-CB 3.16Å; D198-M202 PolarHBondContact O-N 3.46Å
199L75.8Confident63.1Low11 Ų1175.3 Ų75.36%0.05843%0.427CS..Hα-helixtrans-62.2-41.3172.9-175.966.6000111Y130 Y158 I194 S195 M202 F203Y130-L199 HydrophobicContact CE1-CD2 4.17Å; Y130-L199 HydrophobicContact CE1-CG 4.12Å; Y130-L199 HydrophobicContact CE2-CD2 3.91Å; Y130-L199 VanDerWaalsContact OH-CD2 3.32Å; Y130-L199 WeakPolarHBondContact OH-CD2 3.5Å; Y130-L199 WeakPolarHBondContact OH-CG 3.3Å; Y158-L199 HydrophobicContact CD1-CD1 4.03Å; Y158-L199 HydrophobicContact CD1-CD2 3.52Å; Y158-L199 HydrophobicContact CD1-CG 4.22Å; Y158-L199 HydrophobicContact CE1-CD1 3.91Å; Y158-L199 HydrophobicContact CE1-CD2 4.23Å; Y158-L199 HydrophobicContact CE1-CG 4.46Å; Y158-L199 HydrophobicContact CG-CD2 4.32Å; I194-L199 HydrophobicContact CG2-CB 4.17Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 2.74Å; L199-M202 HydrophobicContact CD1-CE 3.74Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.85Å; L199-F203 VanDerWaalsContact O-N 3.07Å
200F77.3Confident62.9Low24 Ų2473.2 Ų73.211%0.10543%0.43CS..Hα-helixtrans-67.3-42.4174.3-177.5-92.6000111.9A134 L135 H138 F151 P196 E197 D198 M202 F203 F204A134-F200 HydrophobicContact CB-CD2 3.8Å; A134-F200 HydrophobicContact CB-CE2 4.07Å; L135-F200 HydrophobicContact CD2-CE2 4.24Å; L135-F200 HydrophobicContact CD2-CZ 4.21Å; H138-F200 AromaticContact CD2-CE1 3.69Å; H138-F200 AromaticContact CD2-CZ 3.6Å; H138-F200 AromaticContact NE2-CE1 3.73Å; F151-F200 HydrophobicContact CE2-CD2 4.47Å; F151-F200 HydrophobicContact CZ-CB 4.13Å; F151-F200 HydrophobicContact CZ-CD2 4.34Å; F151-F200 HydrophobicContact CZ-CG 4.37Å; P196-F200 WeakPolarHBondContact O-CB 3.32Å; P196-F200 PolarHBondContact O-N 3.17Å; E197-F200 PolarHBondContact O-N 3.38Å; D198-F200 VanDerWaalsContact C-N 3.32Å; F200-M202 VanDerWaalsContact C-N 3.34Å; F200-M202 PolarHBondContact O-N 2.93Å; F200-F203 CarbonylContact O-C 3.57Å; F200-F203 WeakPolarHBondContact O-CA 3.24Å; F200-F203 WeakPolarHBondContact O-CB 3.2Å; F200-F203 PolarHBondContact O-N 3.31Å; F200-F204 HydrophobicContact CD1-CB 4.39Å; F200-F204 HydrophobicContact CD1-CD2 4.24Å; F200-F204 AromaticContact CD2-CD2 3.28Å; F200-F204 HydrophobicContact CD2-CD2 3.28Å; F200-F204 AromaticContact CD2-CE2 3.56Å; F200-F204 HydrophobicContact CD2-CE2 3.56Å; F200-F204 HydrophobicContact CD2-CG 4.32Å; F200-F204 HydrophobicContact CE1-CB 3.95Å; F200-F204 HydrophobicContact CE1-CD2 4.09Å; F200-F204 HydrophobicContact CE1-CG 4.28Å; F200-F204 HydrophobicContact CE2-CB 4.41Å; F200-F204 AromaticContact CE2-CD2 3.12Å; F200-F204 HydrophobicContact CE2-CD2 3.12Å; F200-F204 AromaticContact CE2-CE2 3.35Å; F200-F204 HydrophobicContact CE2-CE2 3.35Å; F200-F204 AromaticContact CE2-CG 3.85Å; F200-F204 HydrophobicContact CE2-CG 3.85Å; F200-F204 HydrophobicContact CE2-CZ 4.21Å; F200-F204 AromaticContact CG-CD2 3.87Å; F200-F204 HydrophobicContact CG-CD2 3.87Å; F200-F204 HydrophobicContact CZ-CB 3.96Å; F200-F204 AromaticContact CZ-CD2 3.56Å; F200-F204 HydrophobicContact CZ-CD2 3.56Å; F200-F204 HydrophobicContact CZ-CE2 4.17Å; F200-F204 AromaticContact CZ-CG 3.82Å; F200-F204 HydrophobicContact CZ-CG 3.82Å; F200-F204 PolarHBondContact O-N 3.29Å
201N79.1Confident62.5Low86 Ų8674.3 Ų74.346%0.4645%0.447SS..Hα-helixtrans-64.5-38.5177-71.9-30.6000111.8E197 D198 F203 G205E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 3.38Å; E197-N201 PolarHBondContact O-ND2 3.39Å; E197-N201 VanDerWaalsContact O-ND2 3.1Å; D198-N201 PolarHBondContact O-N 3.27Å; N201-F203 PolarHBondContact O-N 3.3Å; N201-G205 WeakPolarHBondContact O-CA 3.26Å; N201-G205 PolarHBondContact O-N 2.9Å
202M75.6Confident61.7Low84 Ų8474.1 Ų74.141%0.41445%0.451SS..Hα-helixtrans-61.1-35.3170-175.2178.26700110.9D198 L199 F200 Y208D198-M202 WeakPolarHBondContact O-CB 3.16Å; D198-M202 PolarHBondContact O-N 3.46Å; L199-M202 HydrophobicContact CD1-CE 3.74Å; F200-M202 VanDerWaalsContact C-N 3.34Å; F200-M202 PolarHBondContact O-N 2.93Å; M202-Y208 HydrophobicContact CG-CE1 4.39Å; M202-Y208 VanDerWaalsContact O-CD2 3.28Å; M202-Y208 WeakPolarHBondContact O-CD2 3.25Å; M202-Y208 WeakPolarHBondContact O-CE2 3.48Å
203F72.6Confident61.3Low24 Ų2475.9 Ų75.911%0.10548%0.476CS..Hα-helixtrans-78.3-44.8-177.5-154.1-69.2000114.2Y130 R131 L199 F200 N201 Y208Y130-F203 HydrophobicContact CD1-CD2 4.39Å; Y130-F203 HydrophobicContact CE1-CD2 4.42Å; R131-F203 HydrophobicContact CG-CD1 3.52Å; R131-F203 HydrophobicContact CG-CD2 4.35Å; R131-F203 HydrophobicContact CG-CE1 3.14Å; R131-F203 HydrophobicContact CG-CE2 3.97Å; R131-F203 HydrophobicContact CG-CG 4.21Å; R131-F203 HydrophobicContact CG-CZ 3.47Å; R131-F203 VanDerWaalsContact CG-CZ 3.47Å; R131-F203 VanDerWaalsContact NE-CE1 3.31Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.85Å; L199-F203 VanDerWaalsContact O-N 3.07Å; F200-F203 CarbonylContact O-C 3.57Å; F200-F203 WeakPolarHBondContact O-CA 3.24Å; F200-F203 WeakPolarHBondContact O-CB 3.2Å; F200-F203 PolarHBondContact O-N 3.31Å; N201-F203 PolarHBondContact O-N 3.3Å; F203-Y208 HydrophobicContact CD2-CE2 4.31Å; F203-Y208 HydrophobicContact CE2-CE2 4.33Å; F203-Y208 HydrophobicContact CG-CE2 4.42Å; F203-Y208 HydrophobicContact CZ-CE2 4.35Å
204F75.2Confident60.1Low74 Ų7477.3 Ų77.333%0.32548%0.478SS..Hα-helixtrans-122.3-15.4-166.5-65.3-82.7000114.1R131 A134 L135 F200 G206R131-F204 HydrophobicContact CB-CZ 3.82Å; R131-F204 HydrophobicContact CG-CE1 4.44Å; R131-F204 HydrophobicContact CG-CE2 4.38Å; R131-F204 HydrophobicContact CG-CZ 3.76Å; A134-F204 HydrophobicContact CB-CE2 4.43Å; L135-F204 HydrophobicContact CD1-CE1 3.89Å; L135-F204 HydrophobicContact CD1-CZ 4.06Å; L135-F204 HydrophobicContact CD2-CD1 4.4Å; L135-F204 HydrophobicContact CD2-CE1 4.02Å; L135-F204 HydrophobicContact CD2-CZ 4.19Å; L135-F204 HydrophobicContact CG-CE1 3.98Å; L135-F204 HydrophobicContact CG-CZ 3.83Å; F200-F204 HydrophobicContact CD1-CB 4.39Å; F200-F204 HydrophobicContact CD1-CD2 4.24Å; F200-F204 AromaticContact CD2-CD2 3.28Å; F200-F204 HydrophobicContact CD2-CD2 3.28Å; F200-F204 AromaticContact CD2-CE2 3.56Å; F200-F204 HydrophobicContact CD2-CE2 3.56Å; F200-F204 HydrophobicContact CD2-CG 4.32Å; F200-F204 HydrophobicContact CE1-CB 3.95Å; F200-F204 HydrophobicContact CE1-CD2 4.09Å; F200-F204 HydrophobicContact CE1-CG 4.28Å; F200-F204 HydrophobicContact CE2-CB 4.41Å; F200-F204 AromaticContact CE2-CD2 3.12Å; F200-F204 HydrophobicContact CE2-CD2 3.12Å; F200-F204 AromaticContact CE2-CE2 3.35Å; F200-F204 HydrophobicContact CE2-CE2 3.35Å; F200-F204 AromaticContact CE2-CG 3.85Å; F200-F204 HydrophobicContact CE2-CG 3.85Å; F200-F204 HydrophobicContact CE2-CZ 4.21Å; F200-F204 AromaticContact CG-CD2 3.87Å; F200-F204 HydrophobicContact CG-CD2 3.87Å; F200-F204 HydrophobicContact CZ-CB 3.96Å; F200-F204 AromaticContact CZ-CD2 3.56Å; F200-F204 HydrophobicContact CZ-CD2 3.56Å; F200-F204 HydrophobicContact CZ-CE2 4.17Å; F200-F204 AromaticContact CZ-CG 3.82Å; F200-F204 HydrophobicContact CZ-CG 3.82Å; F200-F204 PolarHBondContact O-N 3.29Å; F204-G206 PolarHBondContact O-N 3.43Å; F204-G206 VanDerWaalsContact O-N 3.14Å
205G63.6Low58.7Low55 Ų5578.5 Ų78.557%0.56749%0.488SS*.SBendtrans-79.417.1-175.900000115.3N201 G207N201-G205 WeakPolarHBondContact O-CA 3.26Å; N201-G205 PolarHBondContact O-N 2.9Å; G205-G207 VanDerWaalsContact C-N 3.32Å; G205-G207 PolarHBondContact O-N 3.36Å
206G48.7Very low56.9Low80 Ų8087.1 Ų87.183%0.82552%0.516SS*.SBendtrans7318.5173.500000115.4F204F204-G206 PolarHBondContact O-N 3.43Å; F204-G206 VanDerWaalsContact O-N 3.14Å
207G48.6Very low54.9Low53 Ų5391.4 Ų91.455%0.54654%0.543SS..  trans-108.925.9-176.800000115.6G205 P209G205-G207 VanDerWaalsContact C-N 3.32Å; G205-G207 PolarHBondContact O-N 3.36Å; G207-P209 WeakPolarHBondContact O-CD 3.32Å
208Y40.7Very low53.3Low119 Ų11995.7 Ų95.747%0.46757%0.568SS.*  trans-82.6115.4174.1-94.4-63000111.7M202 F203 S210M202-Y208 HydrophobicContact CG-CE1 4.39Å; M202-Y208 VanDerWaalsContact O-CD2 3.28Å; M202-Y208 WeakPolarHBondContact O-CD2 3.25Å; M202-Y208 WeakPolarHBondContact O-CE2 3.48Å; F203-Y208 HydrophobicContact CD2-CE2 4.31Å; F203-Y208 HydrophobicContact CE2-CE2 4.33Å; F203-Y208 HydrophobicContact CG-CE2 4.42Å; F203-Y208 HydrophobicContact CZ-CE2 4.35Å; Y208-S210 PolarHBondContact O-N 2.95Å
209P43.3Very low51.3Low111 Ų11193.9 Ų93.972%0.72157%0.57SS**  trans-66110.9152.329.3-30.3000106.7G207 S211G207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-S211 PolarHBondContact O-N 3.25Å
210S41.1Very low49.5Very low111 Ų111104.2 Ų104.278%0.77661%0.609SS**  trans-64.6120.9170.5-157.40000108.4Y208Y208-S210 PolarHBondContact O-N 2.95Å
211S41.5Very low47.4Very low101 Ų101109.6 Ų109.671%0.70664%0.636SS**SBendtrans54.287.216470.70000118.1P209P209-S211 PolarHBondContact O-N 3.25Å
212N35.7Very low45.2Very low145 Ų145115.4 Ų115.478%0.77565%0.651SS**  -152.3126.1115.4-111.412.6000108.7H214N212-H214 PolarHBondContact O-N 3.11Å
213G48Very low43.5Very low74 Ų74118.7 Ų118.776%0.76367%0.671SS**  trans-61.8101.9-18000000110.8V215G213-V215 PolarHBondContact O-N 3.45Å
214H34.8Very low41.7Very low171 Ų171126.4 Ų126.479%0.79271%0.707SS**  trans-7977.7156.3-73.4-68.5000107.9N212 Y216N212-H214 PolarHBondContact O-N 3.11Å; H214-Y216 VanDerWaalsContact C-N 3.34Å; H214-Y216 PolarHBondContact O-N 3.16Å; H214-Y216 VanDerWaalsContact O-N 3.07Å
215V36.6Very low39.8Very low109 Ų109133.9 Ų133.966%0.66173%0.733SS**  trans-55.2108.9146.7179.50000104.8G213 T217G213-V215 PolarHBondContact O-N 3.45Å; V215-T217 VanDerWaalsContact CG1-OG1 3.29Å; V215-T217 WeakPolarHBondContact CG1-OG1 3.1Å; V215-T217 PolarHBondContact O-N 3.43Å; V215-T217 PolarHBondContact O-OG1 3.48Å
216Y35.5Very low38.4Very low220 Ų220141.2 Ų141.286%0.86374%0.743SS**  trans-5888.8160.7-97.9-91.5000106.8H214 N218H214-Y216 VanDerWaalsContact C-N 3.34Å; H214-Y216 PolarHBondContact O-N 3.16Å; H214-Y216 VanDerWaalsContact O-N 3.07Å; Y216-N218 PolarHBondContact O-N 3.22Å
217T32.4Very low37.5Very low105 Ų105145.4 Ų145.464%0.64474%0.741SS**  trans-89.981.7-178.5-52.80000106.1V215 G219V215-T217 VanDerWaalsContact CG1-OG1 3.29Å; V215-T217 WeakPolarHBondContact CG1-OG1 3.1Å; V215-T217 PolarHBondContact O-N 3.43Å; V215-T217 PolarHBondContact O-OG1 3.48Å; T217-G219 PolarHBondContact O-N 3.19Å
218N38.6Very low37.1Very low163 Ų163153.5 Ų153.587%0.87276%0.756SS**  trans-73.377.7152.8-79.91.3000107.2Y216Y216-N218 PolarHBondContact O-N 3.22Å
219G33.3Very low36.8Very low52 Ų52159 Ų15954%0.53678%0.775SS.*  trans-74.6146.5154.100000107.7T217T217-G219 PolarHBondContact O-N 3.19Å
220R36.9Very low36.4Very low227 Ų227161.4 Ų161.486%0.85778%0.777SS**  cis-167.6165.219.1-89.7175.5176.3170.4-0.5103.7
221M33.5Very low36.3Very low138 Ų138167.8 Ų167.868%0.6878%0.784SS**  cis-169.2132.315.1-121.6161.5162.100104
222R32.8Very low36.5Very low208 Ų208168.7 Ų168.779%0.78579%0.788SS**  99.6111.295.7-171.6168.5-177.3165.70.4113.7
223N40.2Very low37Very low153 Ų153172.4 Ų172.482%0.81879%0.791SS**  trans-46.4135.8160.7-107.9-28.1000113.4
224Q35.3Very low36.8Very low185 Ų185176.3 Ų176.386%0.86479%0.794SS**  trans-145.1116.7133.8-105.4-178.814.900111.4
225R33.9Very low37.4Very low231 Ų231170.7 Ų170.787%0.87278%0.782SS**  trans-33.5133.3159-116.2171.3174-178.3-0.8113.7
226R34.2Very low38.5Very low209 Ų209168.4 Ų168.479%0.78978%0.781SS**  168.6148.396.4-112.7-176.1178.1-1800.1112.1
227E30.5Very low39.7Very low168 Ų168164.7 Ų164.779%0.78578%0.775SS**  trans88.5121148.2-75.6169.2-163.100121.4
228R40.1Very low41Very low224 Ų224162.3 Ų162.385%0.84577%0.766SS**  trans-77.7126.2172.4-178.9-172.3-150.7-113.95.3108.4
229R34.1Very low42.2Very low233 Ų233158.8 Ų158.888%0.87975%0.75SS**  trans-166.6117.6140.3-114.3169.6176.5166.9-1.4112.8
230E34.9Very low43.8Very low162 Ų162162.9 Ų162.976%0.75775%0.754SS**  trans14.8128.8144.1-65.7167.1167.600121.1
231R39.4Very low45.7Very low245 Ų245157.2 Ų157.293%0.92574%0.744SS**  trans-15.7152.5152.9-87.3-177.4175.6-168-0.8117.9
232P46.3Very low47.3Very low121 Ų121157.6 Ų157.679%0.78674%0.744SS**  -150.1161.864.836.9-14.9000119.4
233R45.8Very low49.6Very low223 Ų223150.7 Ų150.784%0.84273%0.725SS**  trans11.6124.9151-75.1174.7161.5149-7119.8
234D43.8Very low51.6Low156 Ų156147.6 Ų147.683%0.83471%0.707SS**  162.8143.9105.9-87.2-31.8000113.8
235G46.4Very low54Low52 Ų52142.1 Ų142.154%0.53669%0.687SS.*  trans100114.915700000117.3L237 A238G235-L237 PolarHBondContact O-N 3.22Å; G235-A238 PolarHBondContact O-N 3.44Å
236G60.3Low56.3Low61 Ų61136.1 Ų136.163%0.62967%0.671SS**THydrogen-bonded Turntrans-56.9-5.1177.100000116.5F240G236-F240 WeakPolarHBondContact O-CD2 3.24Å
237L60.8Low58.7Low142 Ų142129.7 Ų129.774%0.74365%0.652SS**Hα-helixtrans-76.8-25.6172.2-77.3160.6000113.5G235 V239 F240 V241G235-L237 PolarHBondContact O-N 3.22Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.96Å; L237-F240 PolarHBondContact O-N 2.98Å; L237-V241 PolarHBondContact O-N 3.45Å
238A60.3Low61.5Low56 Ų56126 Ų12646%0.46364%0.637SS.*Hα-helixtrans-67.8-31.5179.400000112.6G235 V241 Q242G235-A238 PolarHBondContact O-N 3.44Å; A238-V241 PolarHBondContact O-N 2.99Å; A238-Q242 PolarHBondContact O-N 2.91Å
239V63.9Low63.6Low88 Ų88121.2 Ų121.253%0.53363%0.627SS.*Hα-helixtrans-64.9-40.6173.7179.90000110.4L237 V241 Q242 V243L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.96Å; V239-V241 PolarHBondContact O-N 3.39Å; V239-Q242 PolarHBondContact O-N 3.23Å; V239-V243 HydrophobicContact CG1-CG2 4.05Å; V239-V243 WeakPolarHBondContact O-CB 3.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3.33Å
240F66.8Low66Low138 Ų138114.4 Ų114.461%0.60561%0.612SS**Hα-helixtrans-62.3-43.7176.6-77.4-82000112G236 L237 Q242 V243 M244G236-F240 WeakPolarHBondContact O-CD2 3.24Å; L237-F240 PolarHBondContact O-N 2.98Å; F240-Q242 VanDerWaalsContact C-N 3.35Å; F240-Q242 PolarHBondContact O-N 3.18Å; F240-V243 PolarHBondContact O-N 3.27Å; F240-M244 WeakPolarHBondContact O-CB 3.27Å; F240-M244 WeakPolarHBondContact O-CG 3.49Å; F240-M244 PolarHBondContact O-N 3.1Å
241V76.1Confident68.5Low109 Ų109110.5 Ų110.566%0.66160%0.595SS**Hα-helixtrans-67.5-34178.6-179.80000112.1L237 A238 V239 P245L237-V241 PolarHBondContact O-N 3.45Å; A238-V241 PolarHBondContact O-N 2.99Å; V239-V241 PolarHBondContact O-N 3.39Å; V241-P245 WeakPolarHBondContact O-CD 3.41Å
242Q67.8Low70.6Confident146 Ų146102.9 Ų102.968%0.68258%0.576SS**Hα-helixtrans-71.7-34.2173.5-84.1-176.3-29.900113.5A238 V239 F240 P245A238-Q242 PolarHBondContact O-N 2.91Å; V239-Q242 PolarHBondContact O-N 3.23Å; F240-Q242 VanDerWaalsContact C-N 3.35Å; F240-Q242 PolarHBondContact O-N 3.18Å; Q242-P245 WeakPolarHBondContact O-CD 3.44Å
243V80.1Confident72.1Confident62 Ų62100 Ų10038%0.37656%0.558SS.*Hα-helixtrans-83.6-26.8-179.3179.20000111.4V239 F240 I246 L247V239-V243 HydrophobicContact CG1-CG2 4.05Å; V239-V243 WeakPolarHBondContact O-CB 3.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3.33Å; F240-V243 PolarHBondContact O-N 3.27Å; V243-I246 CarbonylContact O-C 3.59Å; V243-I246 WeakPolarHBondContact O-CA 3.5Å; V243-I246 WeakPolarHBondContact O-CB 3.49Å; V243-I246 PolarHBondContact O-N 2.98Å; V243-L247 HydrophobicContact CG1-CD1 4.31Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 PolarHBondContact O-N 3.32Å
244M83.1Confident73.5Confident88 Ų8891.3 Ų91.343%0.43354%0.535SS..Hα-helixtrans-48-51.1177.4-88.3-66.8127.600114.7F240 I246 L247 I248F240-M244 WeakPolarHBondContact O-CB 3.27Å; F240-M244 WeakPolarHBondContact O-CG 3.49Å; F240-M244 PolarHBondContact O-N 3.1Å; M244-I246 VanDerWaalsContact C-N 3.3Å; M244-I246 PolarHBondContact O-N 3.36Å; M244-L247 HydrophobicContact CE-CD1 4.36Å; M244-L247 PolarHBondContact O-N 2.84Å; M244-I248 WeakPolarHBondContact O-CB 3.39Å; M244-I248 WeakPolarHBondContact O-CG1 3.25Å; M244-I248 PolarHBondContact O-N 2.78Å
245P84.6Confident74.9Confident70 Ų7088.6 Ų88.646%0.45552%0.52SS..Hα-helixtrans-65-32.7178.222.8-32.3000113V241 Q242 L249V241-P245 WeakPolarHBondContact O-CD 3.41Å; Q242-P245 WeakPolarHBondContact O-CD 3.44Å; P245-L249 WeakPolarHBondContact O-CB 3.19Å; P245-L249 WeakPolarHBondContact O-CG 3.21Å; P245-L249 PolarHBondContact O-N 3.33Å
246I83.5Confident75.9Confident106 Ų10689.3 Ų89.354%0.54452%0.516SS..Hα-helixtrans-69.5-43.2174.5-59.6171.8000109.9V243 M244 L249 V250V243-I246 CarbonylContact O-C 3.59Å; V243-I246 WeakPolarHBondContact O-CA 3.5Å; V243-I246 WeakPolarHBondContact O-CB 3.49Å; V243-I246 PolarHBondContact O-N 2.98Å; M244-I246 VanDerWaalsContact C-N 3.3Å; M244-I246 PolarHBondContact O-N 3.36Å; I246-L249 PolarHBondContact O-N 2.77Å; I246-V250 HydrophobicContact CG2-CG2 4.48Å; I246-V250 WeakPolarHBondContact O-CB 3.32Å; I246-V250 VanDerWaalsContact O-CG2 3.26Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 2.98Å
247L84.9Confident76.1Confident73 Ų7392.9 Ų92.938%0.38252%0.516SS..Hα-helixtrans-66.4-40.3179.3-139164.3000110.8V243 M244 V250 I251V243-L247 HydrophobicContact CG1-CD1 4.31Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 PolarHBondContact O-N 3.32Å; M244-L247 HydrophobicContact CE-CD1 4.36Å; M244-L247 PolarHBondContact O-N 2.84Å; L247-V250 PolarHBondContact O-N 3.43Å; L247-I251 HydrophobicContact CD2-CD1 3.33Å; L247-I251 HydrophobicContact CD2-CG1 3.88Å; L247-I251 WeakPolarHBondContact O-CB 3.39Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 3.31Å
248I88.9Confident76.2Confident91 Ų9192.6 Ų92.647%0.46751%0.514SS..Hα-helixtrans-63.2-43.6172.3-69.7165.4000110.3M244 V250 I251 V252M244-I248 WeakPolarHBondContact O-CB 3.39Å; M244-I248 WeakPolarHBondContact O-CG1 3.25Å; M244-I248 PolarHBondContact O-N 2.78Å; I248-V250 PolarHBondContact O-N 3.49Å; I248-I251 PolarHBondContact O-N 3.07Å; I248-V252 HydrophobicContact CG2-CG2 4.1Å; I248-V252 VanDerWaalsContact O-CB 3.28Å; I248-V252 WeakPolarHBondContact O-CB 3.41Å; I248-V252 WeakPolarHBondContact O-CG2 3.13Å; I248-V252 PolarHBondContact O-N 2.85Å
249L83.8Confident76Confident123 Ų12397.5 Ų97.564%0.64453%0.529SS*.Hα-helixtrans-64.5-39.5176.1-74.5171.2000112.2P245 I246 S253P245-L249 WeakPolarHBondContact O-CB 3.19Å; P245-L249 WeakPolarHBondContact O-CG 3.21Å; P245-L249 PolarHBondContact O-N 3.33Å; I246-L249 PolarHBondContact O-N 2.77Å; L249-S253 WeakPolarHBondContact O-CB 3.17Å; L249-S253 PolarHBondContact O-N 3.49Å
250V85.3Confident75.6Confident91 Ų9198.5 Ų98.555%0.55254%0.536SS*.Hα-helixtrans-65.5-43.5174.6170.50000110.7I246 L247 I248 S253 A254I246-V250 HydrophobicContact CG2-CG2 4.48Å; I246-V250 WeakPolarHBondContact O-CB 3.32Å; I246-V250 VanDerWaalsContact O-CG2 3.26Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 2.98Å; L247-V250 PolarHBondContact O-N 3.43Å; I248-V250 PolarHBondContact O-N 3.49Å; V250-S253 PolarHBondContact O-N 2.83Å; V250-A254 VanDerWaalsContact O-CB 3.24Å; V250-A254 WeakPolarHBondContact O-CB 3.28Å; V250-A254 PolarHBondContact O-N 2.75Å
251I85.8Confident75.3Confident79 Ų7998.9 Ų98.941%0.40554%0.544SS..Hα-helixtrans-65.5-45.3176.6-72.3167.3000110.7L247 I248 S253 A254 L255L247-I251 HydrophobicContact CD2-CD1 3.33Å; L247-I251 HydrophobicContact CD2-CG1 3.88Å; L247-I251 WeakPolarHBondContact O-CB 3.39Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 3.31Å; I248-I251 PolarHBondContact O-N 3.07Å; I251-S253 VanDerWaalsContact C-N 3.32Å; I251-S253 PolarHBondContact O-N 2.85Å; I251-A254 PolarHBondContact O-N 3.22Å; I251-L255 HydrophobicContact CG2-CD1 3.6Å; I251-L255 HydrophobicContact CG2-CG 4.06Å; I251-L255 VanDerWaalsContact O-CB 3.25Å; I251-L255 WeakPolarHBondContact O-CB 3.36Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 3.42Å
252V84.1Confident75Confident85 Ų8598.2 Ų98.252%0.51554%0.544SS..Hα-helixtrans-65.8-37.3178.3170.40000110.7I248 S256I248-V252 HydrophobicContact CG2-CG2 4.1Å; I248-V252 VanDerWaalsContact O-CB 3.28Å; I248-V252 WeakPolarHBondContact O-CB 3.41Å; I248-V252 WeakPolarHBondContact O-CG2 3.13Å; I248-V252 PolarHBondContact O-N 2.85Å; V252-S256 VanDerWaalsContact O-CB 3.26Å; V252-S256 WeakPolarHBondContact O-CB 3.08Å; V252-S256 PolarHBondContact O-N 3.31Å
253S78.4Confident75.7Confident60 Ų6095.2 Ų95.242%0.4254%0.537SS..Hα-helixtrans-67.4-41.2173.3-171.30000112L249 V250 I251 S256 Q257L249-S253 WeakPolarHBondContact O-CB 3.17Å; L249-S253 PolarHBondContact O-N 3.49Å; V250-S253 PolarHBondContact O-N 2.83Å; I251-S253 VanDerWaalsContact C-N 3.32Å; I251-S253 PolarHBondContact O-N 2.85Å; S253-S256 PolarHBondContact O-OG 3.44Å; S253-Q257 VanDerWaalsContact O-CG 3.32Å; S253-Q257 WeakPolarHBondContact O-CG 3.43Å; S253-Q257 PolarHBondContact O-N 2.9Å; S253-Q257 VanDerWaalsContact O-N 3.15Å
254A75.5Confident76.1Confident42 Ų4294.3 Ų94.335%0.34753%0.534SS..Hα-helixtrans-69.1-40.8176.100000112.1V250 I251 Q257 I258V250-A254 VanDerWaalsContact O-CB 3.24Å; V250-A254 WeakPolarHBondContact O-CB 3.28Å; V250-A254 PolarHBondContact O-N 2.75Å; I251-A254 PolarHBondContact O-N 3.22Å; A254-Q257 PolarHBondContact O-N 3.23Å; A254-I258 WeakPolarHBondContact O-CG1 3.29Å; A254-I258 PolarHBondContact O-N 3.45Å; A254-I258 VanDerWaalsContact O-N 3.13Å
255L72.6Confident76.5Confident99 Ų9991.5 Ų91.552%0.51852%0.519SS..Hα-helixtrans-69.5-34.8176-71.1175.9000111.8I251 Q257 I258 M259I251-L255 HydrophobicContact CG2-CD1 3.6Å; I251-L255 HydrophobicContact CG2-CG 4.06Å; I251-L255 VanDerWaalsContact O-CB 3.25Å; I251-L255 WeakPolarHBondContact O-CB 3.36Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 3.42Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.28Å; L255-I258 HydrophobicContact CD2-CD1 4.37Å; L255-I258 PolarHBondContact O-N 3.19Å; L255-M259 PolarHBondContact O-N 3.42Å
256S68.1Low77Confident67 Ų6789 Ų8947%0.46950%0.502SS..Hα-helixtrans-66.9-33.5174.582.30000111.9V252 S253 M259 V260V252-S256 VanDerWaalsContact O-CB 3.26Å; V252-S256 WeakPolarHBondContact O-CB 3.08Å; V252-S256 PolarHBondContact O-N 3.31Å; S253-S256 PolarHBondContact O-OG 3.44Å; S256-M259 CarbonylContact O-C 3.53Å; S256-M259 PolarHBondContact O-N 3.07Å; S256-V260 WeakPolarHBondContact O-CG2 3.4Å; S256-V260 PolarHBondContact O-N 2.94Å
257Q62.5Low77.6Confident135 Ų13586.4 Ų86.463%0.63149%0.49SS*.Hα-helixtrans-68.4-34.2172.6-71.5174.917.500112.6S253 A254 L255 M259 V260S253-Q257 VanDerWaalsContact O-CG 3.32Å; S253-Q257 WeakPolarHBondContact O-CG 3.43Å; S253-Q257 PolarHBondContact O-N 2.9Å; S253-Q257 VanDerWaalsContact O-N 3.15Å; A254-Q257 PolarHBondContact O-N 3.23Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.28Å; Q257-M259 VanDerWaalsContact C-N 3.32Å; Q257-V260 WeakPolarHBondContact O-CG2 3.28Å; Q257-V260 PolarHBondContact O-N 3.43Å
258I64.3Low78Confident136 Ų13685.3 Ų85.370%0.69749%0.488SS*.Hα-helixtrans-72.3-27.9175.2-65.4162.7000111.3A254 L255A254-I258 WeakPolarHBondContact O-CG1 3.29Å; A254-I258 PolarHBondContact O-N 3.45Å; A254-I258 VanDerWaalsContact O-N 3.13Å; L255-I258 HydrophobicContact CD2-CD1 4.37Å; L255-I258 PolarHBondContact O-N 3.19Å
259M56Low78.2Confident159 Ų15986.6 Ų86.678%0.78349%0.49SS*.THydrogen-bonded Turntrans-9115.9172.6-75.2-159-176.200114.1L255 S256 Q257 N261L255-M259 PolarHBondContact O-N 3.42Å; S256-M259 CarbonylContact O-C 3.53Å; S256-M259 PolarHBondContact O-N 3.07Å; Q257-M259 VanDerWaalsContact C-N 3.32Å; M259-N261 PolarHBondContact O-N 2.72Å
260V56.1Low78.6Confident109 Ų10987.3 Ų87.366%0.66148%0.484SS*.SBendtrans-70.8100.3168.4177.10000107.4S256 Q257 S262S256-V260 WeakPolarHBondContact O-CG2 3.4Å; S256-V260 PolarHBondContact O-N 2.94Å; Q257-V260 WeakPolarHBondContact O-CG2 3.28Å; Q257-V260 PolarHBondContact O-N 3.43Å; V260-S262 PolarHBondContact O-N 2.99Å
261N60.2Low78.8Confident147 Ų14786.4 Ų86.479%0.78648%0.48SS*.  trans-38.1111.7175.3-73.1-9.6000110.8M259M259-N261 PolarHBondContact O-N 2.72Å
262S69Low78.9Confident94 Ų9488.6 Ų88.666%0.65750%0.503SS*.  trans-58.3129.916342.70000107.6V260V260-S262 PolarHBondContact O-N 2.99Å
263P83.5Confident79.1Confident84 Ų8487.1 Ų87.155%0.54550%0.499SS..  trans-59.1151.5179.721.2-29.9000110.4Y265 Y275P263-Y265 PolarHBondContact O-N 3.04Å; P263-Y265 VanDerWaalsContact O-N 3.15Å; P263-Y275 VanDerWaalsContact CD-OH 3.23Å; P263-Y275 WeakPolarHBondContact CD-OH 3.49Å; P263-Y275 WeakPolarHBondContact CG-OH 3.26Å; P263-Y275 VanDerWaalsContact O-CE1 3.22Å; P263-Y275 WeakPolarHBondContact O-CE1 3.3Å; P263-Y275 VanDerWaalsContact O-CZ 3.27Å; P263-Y275 PolarHBondContact O-OH 2.97Å
264S87.2Confident79.6Confident43 Ų4386 Ų8630%0.30150%0.497SS..SBendtrans-68.1-14.6-177.6500000113.8L306S264-L306 WeakPolarHBondContact OG-CD1 3.42Å
265Y93Very high80.4Confident29 Ų2984.7 Ų84.711%0.11448%0.484CS..EExtended strand (participates in β ladder)trans-146.8170.2176.964.3-88.1000112.9P263 Y289 L306 V310 D313P263-Y265 PolarHBondContact O-N 3.04Å; P263-Y265 VanDerWaalsContact O-N 3.15Å; Y265-Y289 CarbonylContact C-O 3.51Å; Y265-Y289 VanDerWaalsContact CA-O 3.31Å; Y265-Y289 WeakPolarHBondContact CA-O 3.32Å; Y265-L306 HydrophobicContact CD1-CD1 3.78Å; Y265-L306 HydrophobicContact CD1-CD2 4.45Å; Y265-L306 HydrophobicContact CD1-CG 4.22Å; Y265-L306 HydrophobicContact CE1-CD1 3.75Å; Y265-L306 HydrophobicContact CE1-CG 4.38Å; Y265-V310 HydrophobicContact CD1-CG2 3.85Å; Y265-V310 HydrophobicContact CD2-CG2 3.69Å; Y265-V310 HydrophobicContact CE1-CG2 3.77Å; Y265-V310 HydrophobicContact CE2-CB 4.28Å; Y265-V310 HydrophobicContact CE2-CG2 3.65Å; Y265-V310 HydrophobicContact CG-CG2 3.79Å; Y265-D313 PolarHBondContact OH-OD2 3.33Å
266S94.7Very high81.4Confident16 Ų1682.9 Ų82.911%0.11248%0.476CS..EExtended strand (participates in β ladder)trans-136141.8167.6-168.70000111.3S268 Y288 Y289S266-S268 WeakPolarHBondContact CB-O 3.49Å; S266-S268 PolarHBondContact O-N 3.15Å; S266-S268 PolarHBondContact OG-N 3.32Å; S266-S268 PolarHBondContact OG-O 2.92Å; S266-S268 VanDerWaalsContact OG-O 3.1Å; S266-S268 PolarHBondContact OG-OG 3.33Å; S266-Y288 CarbonylContact O-C 3.59Å; S266-Y288 WeakPolarHBondContact O-CA 3.19Å; S266-Y289 PolarHBondContact N-O 3.38Å; S266-Y289 PolarHBondContact O-N 2.8Å
267L94.9Very high82.7Confident53 Ų5383 Ų8328%0.27747%0.47SS..SBendtrans-75.4-7.5171.4-64.8176.2000113V286 V310 D313L267-V286 HydrophobicContact CD2-CG1 4.25Å; L267-V310 HydrophobicContact CD2-CG1 3.86Å; L267-D313 HydrophobicContact CD1-CB 4.34Å
268S93.5Very high84.2Confident49 Ų4983.1 Ų83.134%0.34347%0.468SS..SBendtrans-126.3147.4-178.560.70000110.9S266 R270 Y289S266-S268 WeakPolarHBondContact CB-O 3.49Å; S266-S268 PolarHBondContact O-N 3.15Å; S266-S268 PolarHBondContact OG-N 3.32Å; S266-S268 PolarHBondContact OG-O 2.92Å; S266-S268 VanDerWaalsContact OG-O 3.1Å; S266-S268 PolarHBondContact OG-OG 3.33Å; S268-R270 PolarHBondContact O-N 3.38Å; S268-R270 PolarHBondContact OG-NE 3.22Å; S268-Y289 WeakPolarHBondContact O-CD2 3.12Å
269F93.9Very high85.7Confident119 Ų11980.6 Ų80.652%0.52245%0.45SS..  trans-66119.7176.3-177.5-117000110.3P271 Y289F269-P271 HydrophobicContact CD1-CG 4.43Å; F269-P271 HydrophobicContact CE1-CB 4.44Å; F269-P271 HydrophobicContact CE1-CG 3.84Å; F269-P271 HydrophobicContact CZ-CB 4.19Å; F269-P271 HydrophobicContact CZ-CG 4.09Å; F269-Y289 HydrophobicContact CB-CD1 4.17Å; F269-Y289 HydrophobicContact CB-CD2 4.45Å; F269-Y289 HydrophobicContact CB-CE1 3.77Å; F269-Y289 HydrophobicContact CB-CE2 4.1Å; F269-Y289 HydrophobicContact CB-CG 4.48Å; F269-Y289 AromaticContact CD2-CD1 3.63Å; F269-Y289 HydrophobicContact CD2-CD1 3.63Å; F269-Y289 AromaticContact CD2-CE1 3.59Å; F269-Y289 HydrophobicContact CD2-CE1 3.59Å; F269-Y289 HydrophobicContact CD2-CG 4.47Å; F269-Y289 HydrophobicContact CG-CD1 4.39Å; F269-Y289 HydrophobicContact CG-CE1 4.09Å; F269-Y289 VanDerWaalsContact N-CE2 3.34Å
270R91.4Very high87.6Confident137 Ų13777.6 Ų77.652%0.51744%0.436SS..BIsolated β-bridgetrans-141.178.4-175.3-73.4-171.9179.4-161.7-3.3110.8S268 S272 A273 G274 Y275S268-R270 PolarHBondContact O-N 3.38Å; S268-R270 PolarHBondContact OG-NE 3.22Å; R270-S272 VanDerWaalsContact C-N 3.3Å; R270-S272 PolarHBondContact O-N 2.89Å; R270-A273 HydrophobicContact CB-CB 4.32Å; R270-A273 PolarHBondContact O-N 3.42Å; R270-G274 PolarHBondContact O-N 3.33Å; R270-Y275 HydrophobicContact CB-CD2 3.95Å; R270-Y275 PolarHBondContact N-O 3.3Å; R270-Y275 PolarHBondContact O-N 2.94Å
271P90.2Very high89.5Confident72 Ų7272.4 Ų72.447%0.46841%0.405SS..G310 helixtrans-65.1-32.4-177.825.2-33.7000112.8F269 A273 G274 T276F269-P271 HydrophobicContact CD1-CG 4.43Å; F269-P271 HydrophobicContact CE1-CB 4.44Å; F269-P271 HydrophobicContact CE1-CG 3.84Å; F269-P271 HydrophobicContact CZ-CB 4.19Å; F269-P271 HydrophobicContact CZ-CG 4.09Å; P271-A273 PolarHBondContact O-N 2.83Å; P271-G274 PolarHBondContact O-N 3.41Å; P271-T276 HydrophobicContact CB-CG2 4.22Å
272S88.4Confident91Very high125 Ų12570.5 Ų70.587%0.87439%0.391SS*.G310 helixtrans-63.6-24.5176.753.10000113.9R270R270-S272 VanDerWaalsContact C-N 3.3Å; R270-S272 PolarHBondContact O-N 2.89Å
273A87.4Confident91.9Very high54 Ų5471.9 Ų71.945%0.44639%0.391SS..G310 helixtrans-10210.5176.200000112.5R270 P271 Y275R270-A273 HydrophobicContact CB-CB 4.32Å; R270-A273 PolarHBondContact O-N 3.42Å; P271-A273 PolarHBondContact O-N 2.83Å; A273-Y275 HydrophobicContact CB-CD2 3.7Å; A273-Y275 HydrophobicContact CB-CE2 3.62Å
274G88.7Confident92.4Very high36 Ų3670 Ų7037%0.37138%0.377SS..THydrogen-bonded Turntrans83.33177.900000115.6R270 P271 T276 G291R270-G274 PolarHBondContact O-N 3.33Å; P271-G274 PolarHBondContact O-N 3.41Å; G274-T276 PolarHBondContact O-N 3.15Å; G274-G291 VanDerWaalsContact O-CA 3.31Å; G274-G291 WeakPolarHBondContact O-CA 3.43Å
275Y93.5Very high92.7Very high16 Ų1674 Ų746%0.06339%0.389CS..BIsolated β-bridgetrans-88.280.7178.6-53.1-75.4000111.2P263 R270 A273 Y289P263-Y275 VanDerWaalsContact CD-OH 3.23Å; P263-Y275 WeakPolarHBondContact CD-OH 3.49Å; P263-Y275 WeakPolarHBondContact CG-OH 3.26Å; P263-Y275 VanDerWaalsContact O-CE1 3.22Å; P263-Y275 WeakPolarHBondContact O-CE1 3.3Å; P263-Y275 VanDerWaalsContact O-CZ 3.27Å; P263-Y275 PolarHBondContact O-OH 2.97Å; R270-Y275 HydrophobicContact CB-CD2 3.95Å; R270-Y275 PolarHBondContact N-O 3.3Å; R270-Y275 PolarHBondContact O-N 2.94Å; A273-Y275 HydrophobicContact CB-CD2 3.7Å; A273-Y275 HydrophobicContact CB-CE2 3.62Å; Y275-Y289 WeakPolarHBondContact CD1-O 3.49Å
276T93.8Very high92.8Very high60 Ų6072.9 Ų72.937%0.36839%0.385SS..  trans-101.7-32-174.953.80000113.1P271 G274 V290P271-T276 HydrophobicContact CB-CG2 4.22Å; G274-T276 PolarHBondContact O-N 3.15Å; T276-V290 PolarHBondContact N-O 3.32Å
277Q93.5Very high92.9Very high71 Ų7174.5 Ų74.533%0.33240%0.395SS..EExtended strand (participates in β ladder)trans-88.7120.2-172.8-60.4-171.714.700111.1Y289 V290Q277-Y289 CarbonylContact O-C 3.57Å; Q277-Y289 VanDerWaalsContact O-CA 3.25Å; Q277-Y289 WeakPolarHBondContact O-CA 3.4Å; Q277-V290 HydrophobicContact CB-CG2 3.88Å; Q277-V290 PolarHBondContact N-O 3.15Å; Q277-V290 VanDerWaalsContact N-O 3.11Å; Q277-V290 PolarHBondContact O-N 3.17Å
278K95.6Very high93Very high137 Ų13772 Ų7260%0.59638%0.381SS*.EExtended strand (participates in β ladder)trans-82132.9176-175.4-179.2176.3-176.60110.9Y289K278-Y289 HydrophobicContact CB-CD1 4.04Å; K278-Y289 HydrophobicContact CB-CE1 3.79Å; K278-Y289 HydrophobicContact CD-CE1 4.38Å; K278-Y289 HydrophobicContact CG-CD1 4.5Å; K278-Y289 HydrophobicContact CG-CE1 3.99Å
279R94.9Very high93.1Very high82 Ų8271.8 Ų71.831%0.30937%0.374SS..EExtended strand (participates in β ladder)trans-131.7166.3173-64.1-170.570.5102.22.2110.6P287 Y288 V290R279-P287 WeakPolarHBondContact O-CA 3.22Å; R279-Y288 HydrophobicContact CB-CD1 3.98Å; R279-Y288 HydrophobicContact CB-CE1 3.39Å; R279-Y288 HydrophobicContact CB-CE2 4.07Å; R279-Y288 VanDerWaalsContact CB-CZ 3.44Å; R279-Y288 PolarHBondContact N-O 3.03Å; R279-Y288 PolarHBondContact NE-OH 3.12Å; R279-Y288 PolarHBondContact O-N 2.58Å; R279-V290 HydrophobicContact CG-CG2 4.11Å
280L96.4Very high93.2Very high96 Ų9666.1 Ų66.150%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-126.3136.9176.3-63.3173000108.6V286 P287L280-V286 WeakPolarHBondContact CA-O 3.49Å; L280-P287 HydrophobicContact CD2-CB 3.97Å
281T95.5Very high93.2Very high1 Ų160.7 Ų60.71%0.00634%0.335CS..  trans-67.6155.8175.464.90000111.4K285 V286 Y288 E307 V310 E311T281-K285 WeakPolarHBondContact O-CA 3.36Å; T281-K285 VanDerWaalsContact O-CD 3.3Å; T281-K285 WeakPolarHBondContact O-CD 3.44Å; T281-K285 PolarHBondContact O-N 3.17Å; T281-K285 PolarHBondContact OG1-N 3.02Å; T281-V286 HydrophobicContact CG2-CB 4.06Å; T281-V286 PolarHBondContact N-O 2.78Å; T281-V286 VanDerWaalsContact N-O 3.12Å; T281-V286 PolarHBondContact OG1-N 2.98Å; T281-Y288 HydrophobicContact CG2-CD1 3.95Å; T281-Y288 HydrophobicContact CG2-CE1 3.99Å; T281-E307 HydrophobicContact CG2-CB 4.18Å; T281-E307 HydrophobicContact CG2-CG 4.29Å; T281-V310 HydrophobicContact CG2-CB 4.07Å; T281-V310 HydrophobicContact CG2-CG1 3.68Å; T281-E311 WeakPolarHBondContact CB-OE1 3.38Å; T281-E311 HydrophobicContact CG2-CG 3.94Å; T281-E311 PolarHBondContact OG1-OE1 3.14Å
282E91.4Very high93.1Very high106 Ų10664 Ų6450%0.49535%0.345SS..THydrogen-bonded Turntrans-65.2-44.2-177.2-167.7172.2-172.800112.7K285 K304 E307E282-K285 WeakPolarHBondContact O-CE 3.37Å; E282-K285 PolarHBondContact O-NZ 3.24Å; E282-K304 IonicContact OE2-NZ 3.19Å; E282-E307 WeakPolarHBondContact CB-OE2 3.19Å; E282-E307 PolarHBondContact N-OE2 2.87Å
283N89.4Confident93Very high123 Ų12363 Ų6366%0.65833%0.326SS*.THydrogen-bonded Turntrans-87.8-65.1-171.3-52.8-42000112.3K285 E311N283-K285 VanDerWaalsContact C-N 3.3Å; N283-K285 PolarHBondContact O-N 3.35Å; N283-E311 WeakPolarHBondContact CB-OE1 3.32Å; N283-E311 PolarHBondContact N-OE1 2.89Å; N283-E311 PolarHBondContact ND2-OE2 2.65Å
284L92.1Very high93.1Very high45 Ų4560.8 Ų60.824%0.23631%0.306CS..THydrogen-bonded Turntrans-87.1-0.5-172.1-64-178.1000113.4V286 E311 I315 I362L284-V286 HydrophobicContact CB-CG2 3.66Å; L284-V286 PolarHBondContact O-N 3.25Å; L284-E311 HydrophobicContact CB-CG 4.16Å; L284-E311 HydrophobicContact CD1-CB 4Å; L284-E311 HydrophobicContact CD1-CG 4.01Å; L284-E311 HydrophobicContact CG-CG 4.24Å; L284-E311 PolarHBondContact N-OE1 3.46Å; L284-I315 HydrophobicContact CD1-CD1 3.95Å; L284-I315 HydrophobicContact CD1-CG1 4.35Å; L284-I362 HydrophobicContact CD1-CG2 4.14Å; L284-I362 HydrophobicContact CD2-CG2 4.01Å
285K95Very high93.1Very high128 Ų12862.1 Ų62.156%0.55731%0.31SS*.  trans50.439.8-176.1-52.9-51-171.6-165.80112T281 E282 N283T281-K285 WeakPolarHBondContact O-CA 3.36Å; T281-K285 VanDerWaalsContact O-CD 3.3Å; T281-K285 WeakPolarHBondContact O-CD 3.44Å; T281-K285 PolarHBondContact O-N 3.17Å; T281-K285 PolarHBondContact OG1-N 3.02Å; E282-K285 WeakPolarHBondContact O-CE 3.37Å; E282-K285 PolarHBondContact O-NZ 3.24Å; N283-K285 VanDerWaalsContact C-N 3.3Å; N283-K285 PolarHBondContact O-N 3.35Å
286V95.4Very high92.8Very high4 Ų469.1 Ų69.12%0.02434%0.341CS..  trans-75.3126.7-178.3174.90000109.2L267 L280 T281 L284 Y288 V310 E311 Y314L267-V286 HydrophobicContact CD2-CG1 4.25Å; L280-V286 WeakPolarHBondContact CA-O 3.49Å; T281-V286 HydrophobicContact CG2-CB 4.06Å; T281-V286 PolarHBondContact N-O 2.78Å; T281-V286 VanDerWaalsContact N-O 3.12Å; T281-V286 PolarHBondContact OG1-N 2.98Å; L284-V286 HydrophobicContact CB-CG2 3.66Å; L284-V286 PolarHBondContact O-N 3.25Å; V286-Y288 PolarHBondContact O-N 3.24Å; V286-V310 HydrophobicContact CG1-CG1 4.34Å; V286-E311 HydrophobicContact CG2-CG 4.41Å; V286-Y314 HydrophobicContact CB-CD1 4.38Å; V286-Y314 HydrophobicContact CB-CG 4.4Å; V286-Y314 HydrophobicContact CG1-CD1 3.99Å; V286-Y314 HydrophobicContact CG1-CD2 3.71Å; V286-Y314 HydrophobicContact CG1-CE1 4.49Å; V286-Y314 HydrophobicContact CG1-CE2 4.27Å; V286-Y314 HydrophobicContact CG1-CG 3.55Å; V286-Y314 HydrophobicContact CG2-CD1 3.41Å; V286-Y314 VanDerWaalsContact CG2-CD1 3.41Å; V286-Y314 HydrophobicContact CG2-CE1 3.8Å; V286-Y314 HydrophobicContact CG2-CG 3.86Å
287P96.4Very high92.4Very high50 Ų5072.3 Ų72.333%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-72.5127174.729.4-33000111.4R279 L280R279-P287 WeakPolarHBondContact O-CA 3.22Å; L280-P287 HydrophobicContact CD2-CB 3.97Å
288Y96.1Very high92.1Very high0 Ų070.7 Ų70.70%034%0.344CS..EExtended strand (participates in β ladder)trans-137.7159.7173.671.5-73.2000110.3S266 R279 T281 V286 V290 F294 E307 V310S266-Y288 CarbonylContact O-C 3.59Å; S266-Y288 WeakPolarHBondContact O-CA 3.19Å; R279-Y288 HydrophobicContact CB-CD1 3.98Å; R279-Y288 HydrophobicContact CB-CE1 3.39Å; R279-Y288 HydrophobicContact CB-CE2 4.07Å; R279-Y288 VanDerWaalsContact CB-CZ 3.44Å; R279-Y288 PolarHBondContact N-O 3.03Å; R279-Y288 PolarHBondContact NE-OH 3.12Å; R279-Y288 PolarHBondContact O-N 2.58Å; T281-Y288 HydrophobicContact CG2-CD1 3.95Å; T281-Y288 HydrophobicContact CG2-CE1 3.99Å; V286-Y288 PolarHBondContact O-N 3.24Å; Y288-V290 HydrophobicContact CD2-CG1 3.65Å; Y288-V290 HydrophobicContact CE2-CG1 3.44Å; Y288-V290 VanDerWaalsContact CE2-CG1 3.44Å; Y288-F294 HydrophobicContact CE2-CZ 4.06Å; Y288-E307 PolarHBondContact OH-OE1 3.41Å; Y288-V310 HydrophobicContact CD1-CG1 4.13Å; Y288-V310 HydrophobicContact CD2-CG2 4.12Å; Y288-V310 HydrophobicContact CE2-CG2 4.49Å; Y288-V310 HydrophobicContact CG-CG1 3.91Å; Y288-V310 HydrophobicContact CG-CG2 4.31Å
289Y96.1Very high91.9Very high45 Ų4568.4 Ų68.418%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-121.3135.2-173.5-60.3-91.9000110.1Y265 S266 S268 F269 Y275 Q277 K278Y265-Y289 CarbonylContact C-O 3.51Å; Y265-Y289 VanDerWaalsContact CA-O 3.31Å; Y265-Y289 WeakPolarHBondContact CA-O 3.32Å; S266-Y289 PolarHBondContact N-O 3.38Å; S266-Y289 PolarHBondContact O-N 2.8Å; S268-Y289 WeakPolarHBondContact O-CD2 3.12Å; F269-Y289 HydrophobicContact CB-CD1 4.17Å; F269-Y289 HydrophobicContact CB-CD2 4.45Å; F269-Y289 HydrophobicContact CB-CE1 3.77Å; F269-Y289 HydrophobicContact CB-CE2 4.1Å; F269-Y289 HydrophobicContact CB-CG 4.48Å; F269-Y289 AromaticContact CD2-CD1 3.63Å; F269-Y289 HydrophobicContact CD2-CD1 3.63Å; F269-Y289 AromaticContact CD2-CE1 3.59Å; F269-Y289 HydrophobicContact CD2-CE1 3.59Å; F269-Y289 HydrophobicContact CD2-CG 4.47Å; F269-Y289 HydrophobicContact CG-CD1 4.39Å; F269-Y289 HydrophobicContact CG-CE1 4.09Å; F269-Y289 VanDerWaalsContact N-CE2 3.34Å; Y275-Y289 WeakPolarHBondContact CD1-O 3.49Å; Q277-Y289 CarbonylContact O-C 3.57Å; Q277-Y289 VanDerWaalsContact O-CA 3.25Å; Q277-Y289 WeakPolarHBondContact O-CA 3.4Å; K278-Y289 HydrophobicContact CB-CD1 4.04Å; K278-Y289 HydrophobicContact CB-CE1 3.79Å; K278-Y289 HydrophobicContact CD-CE1 4.38Å; K278-Y289 HydrophobicContact CG-CD1 4.5Å; K278-Y289 HydrophobicContact CG-CE1 3.99Å
290V95.1Very high91.7Very high0 Ų067.1 Ų67.10%035%0.354CS..EExtended strand (participates in β ladder)trans-129.8162.1-175-62.80000111.2T276 Q277 R279 Y288 F294T276-V290 PolarHBondContact N-O 3.32Å; Q277-V290 HydrophobicContact CB-CG2 3.88Å; Q277-V290 PolarHBondContact N-O 3.15Å; Q277-V290 VanDerWaalsContact N-O 3.11Å; Q277-V290 PolarHBondContact O-N 3.17Å; R279-V290 HydrophobicContact CG-CG2 4.11Å; Y288-V290 HydrophobicContact CD2-CG1 3.65Å; Y288-V290 HydrophobicContact CE2-CG1 3.44Å; Y288-V290 VanDerWaalsContact CE2-CG1 3.44Å; V290-F294 HydrophobicContact CB-CB 3.7Å; V290-F294 HydrophobicContact CB-CD1 4.02Å; V290-F294 HydrophobicContact CB-CD2 3.61Å; V290-F294 HydrophobicContact CB-CE2 4.2Å; V290-F294 HydrophobicContact CB-CG 3.49Å; V290-F294 VanDerWaalsContact CB-CG 3.49Å; V290-F294 HydrophobicContact CG1-CB 4.44Å; V290-F294 HydrophobicContact CG1-CD1 3.98Å; V290-F294 HydrophobicContact CG1-CD2 3.45Å; V290-F294 VanDerWaalsContact CG1-CD2 3.45Å; V290-F294 HydrophobicContact CG1-CE1 4.04Å; V290-F294 HydrophobicContact CG1-CE2 3.51Å; V290-F294 HydrophobicContact CG1-CG 3.68Å; V290-F294 HydrophobicContact CG1-CZ 3.81Å; V290-F294 HydrophobicContact CG2-CB 3.72Å; V290-F294 HydrophobicContact CG2-CD1 3.74Å; V290-F294 HydrophobicContact CG2-CD2 4.26Å; V290-F294 HydrophobicContact CG2-CE1 4.44Å; V290-F294 HydrophobicContact CG2-CG 3.63Å
291G92.1Very high91.4Very high23 Ų2369 Ų6924%0.23736%0.361CS..  trans-78.6171.6173.500000113.6G274 Q293 F294G274-G291 VanDerWaalsContact O-CA 3.31Å; G274-G291 WeakPolarHBondContact O-CA 3.43Å; G291-Q293 VanDerWaalsContact C-N 3.34Å; G291-Q293 PolarHBondContact O-N 3.14Å; G291-F294 WeakPolarHBondContact O-CB 3.23Å; G291-F294 PolarHBondContact O-N 3.08Å
292E89Confident91.2Very high141 Ų14173.5 Ų73.566%0.65939%0.386SS*.THydrogen-bonded Turntrans-66.2-31.3-172.8-63.2-174169.900114.6F294E292-F294 VanDerWaalsContact C-N 3.29Å; E292-F294 PolarHBondContact O-N 3.42Å
293Q86.1Confident91.3Very high106 Ų10670.1 Ų70.150%0.49537%0.371SS..THydrogen-bonded Turntrans-85-0.9-179.5-57.7-59.2-2500113.6G291 S295 K296 E297G291-Q293 VanDerWaalsContact C-N 3.34Å; G291-Q293 PolarHBondContact O-N 3.14Å; Q293-S295 VanDerWaalsContact C-N 3.32Å; Q293-S295 PolarHBondContact O-N 3.33Å; Q293-K296 PolarHBondContact O-N 3.39Å; Q293-E297 PolarHBondContact O-N 3.48Å
294F89.7Confident91.5Very high6 Ų669.8 Ų69.83%0.02636%0.363CS..Hα-helixtrans-54.8-44.3-173.5179.8-95.5000113.8Y288 V290 G291 E292 K296 E297 F298 L303 L306Y288-F294 HydrophobicContact CE2-CZ 4.06Å; V290-F294 HydrophobicContact CB-CB 3.7Å; V290-F294 HydrophobicContact CB-CD1 4.02Å; V290-F294 HydrophobicContact CB-CD2 3.61Å; V290-F294 HydrophobicContact CB-CE2 4.2Å; V290-F294 HydrophobicContact CB-CG 3.49Å; V290-F294 VanDerWaalsContact CB-CG 3.49Å; V290-F294 HydrophobicContact CG1-CB 4.44Å; V290-F294 HydrophobicContact CG1-CD1 3.98Å; V290-F294 HydrophobicContact CG1-CD2 3.45Å; V290-F294 VanDerWaalsContact CG1-CD2 3.45Å; V290-F294 HydrophobicContact CG1-CE1 4.04Å; V290-F294 HydrophobicContact CG1-CE2 3.51Å; V290-F294 HydrophobicContact CG1-CG 3.68Å; V290-F294 HydrophobicContact CG1-CZ 3.81Å; V290-F294 HydrophobicContact CG2-CB 3.72Å; V290-F294 HydrophobicContact CG2-CD1 3.74Å; V290-F294 HydrophobicContact CG2-CD2 4.26Å; V290-F294 HydrophobicContact CG2-CE1 4.44Å; V290-F294 HydrophobicContact CG2-CG 3.63Å; G291-F294 WeakPolarHBondContact O-CB 3.23Å; G291-F294 PolarHBondContact O-N 3.08Å; E292-F294 VanDerWaalsContact C-N 3.29Å; E292-F294 PolarHBondContact O-N 3.42Å; F294-K296 PolarHBondContact O-N 3.13Å; F294-E297 PolarHBondContact O-N 3.22Å; F294-E297 VanDerWaalsContact O-N 3.14Å; F294-F298 AromaticContact CD2-CD2 3.56Å; F294-F298 HydrophobicContact CD2-CD2 3.56Å; F294-F298 HydrophobicContact CD2-CE2 4.16Å; F294-F298 HydrophobicContact CD2-CG 4.33Å; F294-F298 HydrophobicContact CE1-CB 4.34Å; F294-F298 HydrophobicContact CE2-CB 4.08Å; F294-F298 AromaticContact CE2-CD2 3.5Å; F294-F298 HydrophobicContact CE2-CD2 3.5Å; F294-F298 HydrophobicContact CE2-CE2 4.16Å; F294-F298 AromaticContact CE2-CG 3.88Å; F294-F298 HydrophobicContact CE2-CG 3.88Å; F294-F298 HydrophobicContact CG-CD2 4.35Å; F294-F298 HydrophobicContact CZ-CB 3.97Å; F294-F298 HydrophobicContact CZ-CD2 4.27Å; F294-F298 HydrophobicContact CZ-CG 4.24Å; F294-F298 PolarHBondContact O-N 3.48Å; F294-L303 HydrophobicContact CE1-CD1 3.77Å; F294-L303 HydrophobicContact CZ-CD1 3.73Å; F294-L306 HydrophobicContact CE2-CD2 3.27Å; F294-L306 HydrophobicContact CZ-CD2 3.48Å; F294-L306 VanDerWaalsContact CZ-CD2 3.48Å
295S88.2Confident91.5Very high64 Ų6471.6 Ų71.645%0.44837%0.373SS..Hα-helixtrans-66-18.9-178-57.60000113.5Q293Q293-S295 VanDerWaalsContact C-N 3.32Å; Q293-S295 PolarHBondContact O-N 3.33Å
296K87.3Confident91.5Very high163 Ų16366.3 Ų66.371%0.70935%0.351SS*.Hα-helixtrans-89.7-28.8175.4-61-178.3-169.5159.80112.3Q293 F294Q293-K296 PolarHBondContact O-N 3.39Å; F294-K296 PolarHBondContact O-N 3.13Å
297E84.8Confident91.5Very high127 Ų12767 Ų6759%0.59335%0.354SS*.Hα-helixtrans-88.3-37.3-175.3-170.3-179.8-178.100112.4Q293 F294Q293-E297 PolarHBondContact O-N 3.48Å; F294-E297 PolarHBondContact O-N 3.22Å; F294-E297 VanDerWaalsContact O-N 3.14Å
298F87.3Confident91.4Very high37 Ų3772.5 Ų72.516%0.16237%0.368CS..  trans-115.499.8-175.4-65.2-85.1000111.4F294 N302 L303 L306F294-F298 AromaticContact CD2-CD2 3.56Å; F294-F298 HydrophobicContact CD2-CD2 3.56Å; F294-F298 HydrophobicContact CD2-CE2 4.16Å; F294-F298 HydrophobicContact CD2-CG 4.33Å; F294-F298 HydrophobicContact CE1-CB 4.34Å; F294-F298 HydrophobicContact CE2-CB 4.08Å; F294-F298 AromaticContact CE2-CD2 3.5Å; F294-F298 HydrophobicContact CE2-CD2 3.5Å; F294-F298 HydrophobicContact CE2-CE2 4.16Å; F294-F298 AromaticContact CE2-CG 3.88Å; F294-F298 HydrophobicContact CE2-CG 3.88Å; F294-F298 HydrophobicContact CG-CD2 4.35Å; F294-F298 HydrophobicContact CZ-CB 3.97Å; F294-F298 HydrophobicContact CZ-CD2 4.27Å; F294-F298 HydrophobicContact CZ-CG 4.24Å; F294-F298 PolarHBondContact O-N 3.48Å; F298-N302 HydrophobicContact CD1-CB 4.47Å; F298-L303 HydrophobicContact CB-CD1 4.35Å; F298-L306 HydrophobicContact CD1-CB 4.31Å; F298-L306 HydrophobicContact CD1-CD2 3.92Å; F298-L306 HydrophobicContact CD2-CD2 4.41Å; F298-L306 HydrophobicContact CE1-CD1 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.17Å; F298-L306 HydrophobicContact CG-CD2 4.06Å
299T91Very high91.3Very high90 Ų9075 Ų7555%0.55239%0.386SS*.  trans-129.3151.2177.259.10000112.1M301 N302T299-M301 PolarHBondContact O-N 3.05Å; T299-N302 PolarHBondContact O-N 3.39Å
300G91.1Very high91.3Very high55 Ų5572.9 Ų72.957%0.56738%0.378SS*.THydrogen-bonded Turntrans61-124.6173.600000113.1N302 L303 K304G300-N302 VanDerWaalsContact C-N 3.34Å; G300-N302 PolarHBondContact O-N 2.98Å; G300-L303 PolarHBondContact O-N 3.47Å; G300-K304 PolarHBondContact O-N 3.49Å
301M90.9Very high91.4Very high135 Ų13573.7 Ų73.767%0.66538%0.381SS*.Hα-helixtrans-65.6-34-175.9-160.968.9-177.400113.1T299 L303 K304 N305T299-M301 PolarHBondContact O-N 3.05Å; M301-L303 VanDerWaalsContact C-N 3.3Å; M301-L303 PolarHBondContact O-N 3.32Å; M301-K304 PolarHBondContact O-N 2.94Å; M301-N305 PolarHBondContact O-N 2.96Å; M301-N305 PolarHBondContact O-ND2 3.4Å
302N90.6Very high91.5Very high96 Ų9676.5 Ų76.551%0.51339%0.391SS..Hα-helixtrans-66.1-35.4178.4-71.2-15.7000111.8F298 T299 G300 L306F298-N302 HydrophobicContact CD1-CB 4.47Å; T299-N302 PolarHBondContact O-N 3.39Å; G300-N302 VanDerWaalsContact C-N 3.34Å; G300-N302 PolarHBondContact O-N 2.98Å; N302-L306 WeakPolarHBondContact O-CB 3.15Å; N302-L306 PolarHBondContact O-N 2.8Å
303L93.6Very high91.8Very high35 Ų3573.6 Ų73.618%0.18338%0.38CS..Hα-helixtrans-65.5-44.5174.6179.462.4000111F294 F298 G300 M301 N305 L306 E307F294-L303 HydrophobicContact CE1-CD1 3.77Å; F294-L303 HydrophobicContact CZ-CD1 3.73Å; F298-L303 HydrophobicContact CB-CD1 4.35Å; G300-L303 PolarHBondContact O-N 3.47Å; M301-L303 VanDerWaalsContact C-N 3.3Å; M301-L303 PolarHBondContact O-N 3.32Å; L303-N305 PolarHBondContact O-N 2.83Å; L303-L306 PolarHBondContact O-N 3.31Å; L303-E307 HydrophobicContact CD1-CG 4.21Å; L303-E307 HydrophobicContact CG-CG 4.46Å; L303-E307 WeakPolarHBondContact O-CG 3.23Å; L303-E307 PolarHBondContact O-N 3.3Å
304K93.3Very high92.3Very high116 Ų11670.4 Ų70.450%0.50436%0.364SS..Hα-helixtrans-61.7-43.7177.4-70.1-168.6171.1-165.70112.7E282 G300 M301 L306 E307 R308E282-K304 IonicContact OE2-NZ 3.19Å; G300-K304 PolarHBondContact O-N 3.49Å; M301-K304 PolarHBondContact O-N 2.94Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 3.49Å; K304-E307 PolarHBondContact O-N 3.44Å; K304-R308 WeakPolarHBondContact O-CB 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å
305N93.4Very high92.5Very high82 Ų8271.2 Ų71.244%0.43937%0.368SS..Hα-helixtrans-63.2-40.8176.5-70.6-20.9000111.4M301 L303 R308 S309M301-N305 PolarHBondContact O-N 2.96Å; M301-N305 PolarHBondContact O-ND2 3.4Å; L303-N305 PolarHBondContact O-N 2.83Å; N305-R308 WeakPolarHBondContact O-CB 3.31Å; N305-R308 PolarHBondContact O-N 3.34Å; N305-S309 PolarHBondContact O-N 3.1Å; N305-S309 VanDerWaalsContact O-N 3.11Å; N305-S309 PolarHBondContact O-OG 3.18Å
306L93.9Very high92.9Very high18 Ų1870.7 Ų70.79%0.09436%0.364CS..Hα-helixtrans-65.9-46.6176.4-174.476.9000112S264 Y265 F294 F298 N302 L303 K304 R308 S309 V310S264-L306 WeakPolarHBondContact OG-CD1 3.42Å; Y265-L306 HydrophobicContact CD1-CD1 3.78Å; Y265-L306 HydrophobicContact CD1-CD2 4.45Å; Y265-L306 HydrophobicContact CD1-CG 4.22Å; Y265-L306 HydrophobicContact CE1-CD1 3.75Å; Y265-L306 HydrophobicContact CE1-CG 4.38Å; F294-L306 HydrophobicContact CE2-CD2 3.27Å; F294-L306 HydrophobicContact CZ-CD2 3.48Å; F294-L306 VanDerWaalsContact CZ-CD2 3.48Å; F298-L306 HydrophobicContact CD1-CB 4.31Å; F298-L306 HydrophobicContact CD1-CD2 3.92Å; F298-L306 HydrophobicContact CD2-CD2 4.41Å; F298-L306 HydrophobicContact CE1-CD1 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.17Å; F298-L306 HydrophobicContact CG-CD2 4.06Å; N302-L306 WeakPolarHBondContact O-CB 3.15Å; N302-L306 PolarHBondContact O-N 2.8Å; L303-L306 PolarHBondContact O-N 3.31Å; K304-L306 VanDerWaalsContact C-N 3.31Å; K304-L306 PolarHBondContact O-N 3.49Å; L306-R308 PolarHBondContact O-N 2.92Å; L306-S309 CarbonylContact O-C 3.52Å; L306-S309 WeakPolarHBondContact O-CA 3.21Å; L306-S309 WeakPolarHBondContact O-CB 3.43Å; L306-S309 PolarHBondContact O-N 2.67Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 3.02Å
307E95.3Very high93.3Very high17 Ų1766.5 Ų66.58%0.07935%0.35CS..Hα-helixtrans-60.6-35.5177.8-74.4-175.5-171.900111.6T281 E282 Y288 L303 K304 V310 E311T281-E307 HydrophobicContact CG2-CB 4.18Å; T281-E307 HydrophobicContact CG2-CG 4.29Å; E282-E307 WeakPolarHBondContact CB-OE2 3.19Å; E282-E307 PolarHBondContact N-OE2 2.87Å; Y288-E307 PolarHBondContact OH-OE1 3.41Å; L303-E307 HydrophobicContact CD1-CG 4.21Å; L303-E307 HydrophobicContact CG-CG 4.46Å; L303-E307 WeakPolarHBondContact O-CG 3.23Å; L303-E307 PolarHBondContact O-N 3.3Å; K304-E307 PolarHBondContact O-N 3.44Å; E307-V310 WeakPolarHBondContact O-CB 3.34Å; E307-V310 PolarHBondContact O-N 3.29Å; E307-E311 WeakPolarHBondContact O-CG 3.27Å; E307-E311 PolarHBondContact O-N 3.3Å
308R94.9Very high93.9Very high166 Ų16661 Ų6163%0.62633%0.325SS*.Hα-helixtrans-60.8-45.7170.5-173.5178.3-178.8171.43.5111.9K304 N305 L306 V310 E311 D312K304-R308 WeakPolarHBondContact O-CB 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å; N305-R308 WeakPolarHBondContact O-CB 3.31Å; N305-R308 PolarHBondContact O-N 3.34Å; L306-R308 PolarHBondContact O-N 2.92Å; R308-V310 VanDerWaalsContact C-N 3.31Å; R308-V310 PolarHBondContact O-N 2.85Å; R308-E311 PolarHBondContact O-N 2.97Å; R308-D312 PolarHBondContact O-N 2.83Å
309S94.4Very high94.3Very high54 Ų5466 Ų6638%0.37834%0.342SS..Hα-helixtrans-61.6-38.7174.4-58.90000112.4N305 L306 E311 D312 D313N305-S309 PolarHBondContact O-N 3.1Å; N305-S309 VanDerWaalsContact O-N 3.11Å; N305-S309 PolarHBondContact O-OG 3.18Å; L306-S309 CarbonylContact O-C 3.52Å; L306-S309 WeakPolarHBondContact O-CA 3.21Å; L306-S309 WeakPolarHBondContact O-CB 3.43Å; L306-S309 PolarHBondContact O-N 2.67Å; S309-E311 VanDerWaalsContact C-N 3.33Å; S309-E311 PolarHBondContact O-N 2.99Å; S309-D312 PolarHBondContact O-N 3.46Å; S309-D313 WeakPolarHBondContact O-CB 3.38Å; S309-D313 PolarHBondContact O-N 3.39Å
310V96.1Very high94.6Very high0 Ų066.5 Ų66.50%034%0.342CS..Hα-helixtrans-60.4-44.5174.4173.10000110.7Y265 L267 T281 V286 Y288 L306 E307 R308 Y314Y265-V310 HydrophobicContact CD1-CG2 3.85Å; Y265-V310 HydrophobicContact CD2-CG2 3.69Å; Y265-V310 HydrophobicContact CE1-CG2 3.77Å; Y265-V310 HydrophobicContact CE2-CB 4.28Å; Y265-V310 HydrophobicContact CE2-CG2 3.65Å; Y265-V310 HydrophobicContact CG-CG2 3.79Å; L267-V310 HydrophobicContact CD2-CG1 3.86Å; T281-V310 HydrophobicContact CG2-CB 4.07Å; T281-V310 HydrophobicContact CG2-CG1 3.68Å; V286-V310 HydrophobicContact CG1-CG1 4.34Å; Y288-V310 HydrophobicContact CD1-CG1 4.13Å; Y288-V310 HydrophobicContact CD2-CG2 4.12Å; Y288-V310 HydrophobicContact CE2-CG2 4.49Å; Y288-V310 HydrophobicContact CG-CG1 3.91Å; Y288-V310 HydrophobicContact CG-CG2 4.31Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 3.02Å; E307-V310 WeakPolarHBondContact O-CB 3.34Å; E307-V310 PolarHBondContact O-N 3.29Å; R308-V310 VanDerWaalsContact C-N 3.31Å; R308-V310 PolarHBondContact O-N 2.85Å; V310-Y314 VanDerWaalsContact O-CB 3.28Å; V310-Y314 WeakPolarHBondContact O-CB 3.4Å; V310-Y314 PolarHBondContact O-N 3.46Å
311E95.6Very high94.9Very high16 Ų1666.3 Ų66.38%0.07533%0.327CS..Hα-helixtrans-65.2-44.2177.4-72-179.8167.500111.8T281 N283 L284 V286 E307 R308 S309 Y314 I315T281-E311 WeakPolarHBondContact CB-OE1 3.38Å; T281-E311 HydrophobicContact CG2-CG 3.94Å; T281-E311 PolarHBondContact OG1-OE1 3.14Å; N283-E311 WeakPolarHBondContact CB-OE1 3.32Å; N283-E311 PolarHBondContact N-OE1 2.89Å; N283-E311 PolarHBondContact ND2-OE2 2.65Å; L284-E311 HydrophobicContact CB-CG 4.16Å; L284-E311 HydrophobicContact CD1-CB 4Å; L284-E311 HydrophobicContact CD1-CG 4.01Å; L284-E311 HydrophobicContact CG-CG 4.24Å; L284-E311 PolarHBondContact N-OE1 3.46Å; V286-E311 HydrophobicContact CG2-CG 4.41Å; E307-E311 WeakPolarHBondContact O-CG 3.27Å; E307-E311 PolarHBondContact O-N 3.3Å; R308-E311 PolarHBondContact O-N 2.97Å; S309-E311 VanDerWaalsContact C-N 3.33Å; S309-E311 PolarHBondContact O-N 2.99Å; E311-Y314 WeakPolarHBondContact O-CB 3.16Å; E311-Y314 PolarHBondContact O-N 2.93Å; E311-I315 VanDerWaalsContact O-CG1 3.29Å; E311-I315 WeakPolarHBondContact O-CG1 3.39Å; E311-I315 PolarHBondContact O-N 2.86Å
312D95.1Very high95.2Very high83 Ų8360.9 Ų60.944%0.44430%0.302SS..Hα-helixtrans-62.9-43.3177.8-73.9-27.1000111.9R308 S309 I315 S316R308-D312 PolarHBondContact O-N 2.83Å; S309-D312 PolarHBondContact O-N 3.46Å; D312-I315 PolarHBondContact O-N 3.49Å; D312-S316 WeakPolarHBondContact O-CB 3.5Å; D312-S316 PolarHBondContact O-N 3.23Å; D312-S316 PolarHBondContact O-OG 3.04Å
313D95.4Very high95.5Very high79 Ų7964 Ų6442%0.42231%0.307SS..Hα-helixtrans-64.7-41.2174.7-81.7-8.6000111.8Y265 L267 S309 S316 N317Y265-D313 PolarHBondContact OH-OD2 3.33Å; L267-D313 HydrophobicContact CD1-CB 4.34Å; S309-D313 WeakPolarHBondContact O-CB 3.38Å; S309-D313 PolarHBondContact O-N 3.39Å; D313-S316 PolarHBondContact O-N 3.29Å; D313-N317 WeakPolarHBondContact O-CB 3.33Å; D313-N317 PolarHBondContact O-N 3.48Å
314Y95.6Very high95.7Very high39 Ų3967.9 Ų67.915%0.15332%0.323CS..Hα-helixtrans-62.2-46.6177.2178.8-109.1000111.6V286 V310 E311 S316 N317 L318 K358 I362V286-Y314 HydrophobicContact CB-CD1 4.38Å; V286-Y314 HydrophobicContact CB-CG 4.4Å; V286-Y314 HydrophobicContact CG1-CD1 3.99Å; V286-Y314 HydrophobicContact CG1-CD2 3.71Å; V286-Y314 HydrophobicContact CG1-CE1 4.49Å; V286-Y314 HydrophobicContact CG1-CE2 4.27Å; V286-Y314 HydrophobicContact CG1-CG 3.55Å; V286-Y314 HydrophobicContact CG2-CD1 3.41Å; V286-Y314 VanDerWaalsContact CG2-CD1 3.41Å; V286-Y314 HydrophobicContact CG2-CE1 3.8Å; V286-Y314 HydrophobicContact CG2-CG 3.86Å; V310-Y314 VanDerWaalsContact O-CB 3.28Å; V310-Y314 WeakPolarHBondContact O-CB 3.4Å; V310-Y314 PolarHBondContact O-N 3.46Å; E311-Y314 WeakPolarHBondContact O-CB 3.16Å; E311-Y314 PolarHBondContact O-N 2.93Å; Y314-S316 VanDerWaalsContact C-N 3.33Å; Y314-S316 PolarHBondContact O-N 3.41Å; Y314-N317 PolarHBondContact O-N 3.03Å; Y314-L318 HydrophobicContact CD1-CD1 3.92Å; Y314-L318 HydrophobicContact CE1-CD1 3.36Å; Y314-L318 HydrophobicContact CE1-CG 4.15Å; Y314-L318 HydrophobicContact CE2-CD1 4.41Å; Y314-L318 HydrophobicContact CE2-CG 4.37Å; Y314-L318 WeakPolarHBondContact O-CG 3.48Å; Y314-L318 PolarHBondContact O-N 3.18Å; Y314-K358 WeakPolarHBondContact OH-CD 3.37Å; Y314-K358 WeakPolarHBondContact OH-CE 3.48Å; Y314-K358 PolarHBondContact OH-NZ 3.49Å; Y314-I362 HydrophobicContact CD1-CD1 4.46Å; Y314-I362 HydrophobicContact CE1-CD1 3.96Å
315I95.6Very high95.9Very high23 Ų2364 Ų6412%0.11831%0.306CS..Hα-helixtrans-61.9-43.6175.4-68.7166.7000110.2L284 E311 D312 N317 L318 R319 L359 I362L284-I315 HydrophobicContact CD1-CD1 3.95Å; L284-I315 HydrophobicContact CD1-CG1 4.35Å; E311-I315 VanDerWaalsContact O-CG1 3.29Å; E311-I315 WeakPolarHBondContact O-CG1 3.39Å; E311-I315 PolarHBondContact O-N 2.86Å; D312-I315 PolarHBondContact O-N 3.49Å; I315-N317 VanDerWaalsContact C-N 3.34Å; I315-N317 PolarHBondContact O-N 3.26Å; I315-L318 PolarHBondContact O-N 2.95Å; I315-R319 HydrophobicContact CG2-CG 4.41Å; I315-R319 WeakPolarHBondContact O-CG 3.44Å; I315-R319 PolarHBondContact O-N 3.18Å; I315-L359 HydrophobicContact CG2-CD1 4.32Å; I315-I362 HydrophobicContact CD1-CG2 4.38Å; I315-I362 HydrophobicContact CG1-CG2 4.49Å
316S95.8Very high96.1Very high53 Ų5365.6 Ų65.637%0.37131%0.309SS..Hα-helixtrans-60.9-42.8178.4-63.60000111.8D312 D313 Y314 R319 N320D312-S316 WeakPolarHBondContact O-CB 3.5Å; D312-S316 PolarHBondContact O-N 3.23Å; D312-S316 PolarHBondContact O-OG 3.04Å; D313-S316 PolarHBondContact O-N 3.29Å; Y314-S316 VanDerWaalsContact C-N 3.33Å; Y314-S316 PolarHBondContact O-N 3.41Å; S316-R319 PolarHBondContact O-N 3.01Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 2.88Å; S316-N320 PolarHBondContact O-ND2 3.44Å
317N96.1Very high96.2Very high75 Ų7569.5 Ų69.540%0.40133%0.327SS..Hα-helixtrans-65.3-42.7175-164.3-7.7000111.7D313 Y314 I315 R319 N320 N321D313-N317 WeakPolarHBondContact O-CB 3.33Å; D313-N317 PolarHBondContact O-N 3.48Å; Y314-N317 PolarHBondContact O-N 3.03Å; I315-N317 VanDerWaalsContact C-N 3.34Å; I315-N317 PolarHBondContact O-N 3.26Å; N317-R319 PolarHBondContact O-N 3.19Å; N317-N320 PolarHBondContact O-N 3.06Å; N317-N321 WeakPolarHBondContact O-CB 3.45Å; N317-N321 VanDerWaalsContact O-CG 3.3Å; N317-N321 PolarHBondContact O-N 3.19Å; N317-N321 PolarHBondContact O-ND2 2.83Å; N317-N321 PolarHBondContact OD1-ND2 3.08Å
318L96.2Very high96.3Very high13 Ų1375.1 Ų75.17%0.06835%0.353CS..Hα-helixtrans-60-41.7173.7-79.9178.8000112.6Y314 I315 N321 C322 K358 L359 I362Y314-L318 HydrophobicContact CD1-CD1 3.92Å; Y314-L318 HydrophobicContact CE1-CD1 3.36Å; Y314-L318 HydrophobicContact CE1-CG 4.15Å; Y314-L318 HydrophobicContact CE2-CD1 4.41Å; Y314-L318 HydrophobicContact CE2-CG 4.37Å; Y314-L318 WeakPolarHBondContact O-CG 3.48Å; Y314-L318 PolarHBondContact O-N 3.18Å; I315-L318 PolarHBondContact O-N 2.95Å; L318-N321 PolarHBondContact O-N 2.99Å; L318-C322 WeakPolarHBondContact O-CB 3.17Å; L318-C322 PolarHBondContact O-N 3.14Å; L318-K358 HydrophobicContact CD1-CG 4.28Å; L318-K358 HydrophobicContact CD2-CB 4.5Å; L318-L359 HydrophobicContact CB-CD1 3.94Å; L318-I362 HydrophobicContact CD1-CD1 3.65Å
319R96.6Very high96.4Very high142 Ų14269.8 Ų69.854%0.53633%0.334SS..Hα-helixtrans-60.9-47.1175.6-73.8179178.9157.30.7111.1I315 S316 N317 C322 W323 L359I315-R319 HydrophobicContact CG2-CG 4.41Å; I315-R319 WeakPolarHBondContact O-CG 3.44Å; I315-R319 PolarHBondContact O-N 3.18Å; S316-R319 PolarHBondContact O-N 3.01Å; N317-R319 PolarHBondContact O-N 3.19Å; R319-C322 PolarHBondContact O-N 3.11Å; R319-W323 WeakPolarHBondContact O-CB 3.42Å; R319-W323 PolarHBondContact O-N 3.12Å; R319-L359 HydrophobicContact CB-CD1 4.36Å; R319-L359 HydrophobicContact CG-CD1 3.4Å; R319-L359 VanDerWaalsContact CG-CD1 3.4Å; R319-L359 HydrophobicContact CG-CD2 4.3Å; R319-L359 HydrophobicContact CG-CG 4.49Å
320N96.9Very high96.4Very high100 Ų10071.6 Ų71.654%0.53534%0.337SS..Hα-helixtrans-63.4-43.2179.2-71-22000112S316 N317 W323 K324S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 2.88Å; S316-N320 PolarHBondContact O-ND2 3.44Å; N317-N320 PolarHBondContact O-N 3.06Å; N320-W323 PolarHBondContact O-N 3.03Å; N320-K324 WeakPolarHBondContact O-CG 3.12Å; N320-K324 PolarHBondContact O-N 3.46Å; N320-K324 VanDerWaalsContact O-N 3.08Å
321N97.4Very high96.5Very high51 Ų5173 Ų7327%0.27335%0.352SS..Hα-helixtrans-69.9-40177.6-66.1-29.4000111.7N317 L318 W323 K324 E325 S355N317-N321 WeakPolarHBondContact O-CB 3.45Å; N317-N321 VanDerWaalsContact O-CG 3.3Å; N317-N321 PolarHBondContact O-N 3.19Å; N317-N321 PolarHBondContact O-ND2 2.83Å; N317-N321 PolarHBondContact OD1-ND2 3.08Å; L318-N321 PolarHBondContact O-N 2.99Å; N321-W323 VanDerWaalsContact C-N 3.32Å; N321-W323 PolarHBondContact O-N 2.63Å; N321-K324 PolarHBondContact O-N 3.45Å; N321-E325 WeakPolarHBondContact O-CB 3.41Å; N321-E325 VanDerWaalsContact O-CG 3.3Å; N321-E325 WeakPolarHBondContact O-CG 3.48Å; N321-E325 PolarHBondContact O-N 3.34Å; N321-S355 WeakPolarHBondContact CB-OG 3.45Å
322C97.9Very high96.5Very high20 Ų2075 Ų7514%0.13536%0.362CS..Hα-helixtrans-58.5-44.5172.8171.40000111.5L318 R319 K324 E325 K326 C356L318-C322 WeakPolarHBondContact O-CB 3.17Å; L318-C322 PolarHBondContact O-N 3.14Å; R319-C322 PolarHBondContact O-N 3.11Å; C322-K324 VanDerWaalsContact C-N 3.34Å; C322-K324 PolarHBondContact O-N 3.3Å; C322-E325 PolarHBondContact O-N 3.44Å; C322-K326 VanDerWaalsContact O-CB 3.3Å; C322-K326 WeakPolarHBondContact O-CB 3.19Å; C322-K326 PolarHBondContact O-N 2.96Å; C322-C356 VanDerWaalsContact C-SG 3.57Å; C322-C356 WeakPolarHBondContact CA-SG 3.47Å; C322-C356 HydrophobicContact CB-CB 3.93Å; C322-C356 WeakPolarHBondContact CB-SG 3.29Å; C322-C356 PolarHBondContact O-SG 2.95Å; C322-C356 WeakPolarHBondContact SG-CA 3.35Å; C322-C356 WeakPolarHBondContact SG-CB 3.46Å; C322-C356 CovalentContact SG-SG 2.04Å; C322-C356 PolarHBondContact SG-SG 3.22Å
323W97.5Very high96.6Very high163 Ų16372.4 Ų72.462%0.61735%0.348SS*.Hα-helixtrans-59-45.2175.9-177.487.1000111.6R319 N320 N321 K326 Q327R319-W323 WeakPolarHBondContact O-CB 3.42Å; R319-W323 PolarHBondContact O-N 3.12Å; N320-W323 PolarHBondContact O-N 3.03Å; N321-W323 VanDerWaalsContact C-N 3.32Å; N321-W323 PolarHBondContact O-N 2.63Å; W323-K326 PolarHBondContact O-N 3.29Å; W323-Q327 WeakPolarHBondContact O-CB 3.48Å; W323-Q327 PolarHBondContact O-N 2.9Å
324K97.8Very high96.6Very high116 Ų11676 Ų7650%0.50436%0.356SS..Hα-helixtrans-62.3-47.1175.9-70.1174.1-176.8175.50112.6N320 N321 C322 K326 Q327 Q328N320-K324 WeakPolarHBondContact O-CG 3.12Å; N320-K324 PolarHBondContact O-N 3.46Å; N320-K324 VanDerWaalsContact O-N 3.08Å; N321-K324 PolarHBondContact O-N 3.45Å; C322-K324 VanDerWaalsContact C-N 3.34Å; C322-K324 PolarHBondContact O-N 3.3Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 2.95Å; K324-Q327 PolarHBondContact O-N 3.39Å; K324-Q328 WeakPolarHBondContact O-CG 3.45Å; K324-Q328 PolarHBondContact O-N 3.26Å
325E97.6Very high96.7Very high35 Ų3581.7 Ų81.716%0.16438%0.378CS..Hα-helixtrans-59.8-43.8177.8-73.7172.3-173.800111.3N321 C322 Q328 K329 T353 P354 S355N321-E325 WeakPolarHBondContact O-CB 3.41Å; N321-E325 VanDerWaalsContact O-CG 3.3Å; N321-E325 WeakPolarHBondContact O-CG 3.48Å; N321-E325 PolarHBondContact O-N 3.34Å; C322-E325 PolarHBondContact O-N 3.44Å; E325-Q328 PolarHBondContact O-N 3.48Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 PolarHBondContact O-N 3.22Å; E325-T353 HydrophobicContact CB-CG2 4.1Å; E325-T353 WeakPolarHBondContact OE2-CA 3.35Å; E325-P354 WeakPolarHBondContact OE1-CG 3.47Å; E325-P354 WeakPolarHBondContact OE2-CD 3.25Å; E325-S355 WeakPolarHBondContact OE1-CB 3.44Å; E325-S355 PolarHBondContact OE1-N 2.98Å; E325-S355 PolarHBondContact OE1-OG 3.08Å; E325-S355 WeakPolarHBondContact OE2-CB 3.4Å; E325-S355 PolarHBondContact OE2-N 2.89Å
326K96.7Very high96.8Very high115 Ų11580.8 Ų80.850%0.537%0.373SS..Hα-helixtrans-63.3-46.8176.3-173.8178.3174.9-177.20111.1C322 W323 K324 Q328 K329 E330C322-K326 VanDerWaalsContact O-CB 3.3Å; C322-K326 WeakPolarHBondContact O-CB 3.19Å; C322-K326 PolarHBondContact O-N 2.96Å; W323-K326 PolarHBondContact O-N 3.29Å; K324-K326 VanDerWaalsContact C-N 3.33Å; K324-K326 PolarHBondContact O-N 2.95Å; K326-Q328 VanDerWaalsContact C-N 3.31Å; K326-Q328 PolarHBondContact O-N 3.28Å; K326-K329 PolarHBondContact O-N 3.32Å; K326-E330 WeakPolarHBondContact CE-OE1 3.11Å; K326-E330 HydrophobicContact CG-CG 4.43Å; K326-E330 IonicContact NZ-OE1 3.84Å; K326-E330 WeakPolarHBondContact O-CB 3.33Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 2.9Å
327Q96.8Very high96.8Very high100 Ų10086.2 Ų86.247%0.46739%0.386SS..Hα-helixtrans-60.6-40.9177.6-167.76712.400111.8W323 K324 G331W323-Q327 WeakPolarHBondContact O-CB 3.48Å; W323-Q327 PolarHBondContact O-N 2.9Å; K324-Q327 PolarHBondContact O-N 3.39Å; Q327-G331 PolarHBondContact O-N 3.43Å
328Q96Very high96.8Very high134 Ų13490.1 Ų90.163%0.62640%0.396SS*.Hα-helixtrans-63.4-45.3174.9-74.3177.8-2.600111.7K324 E325 K326 G331 M332K324-Q328 WeakPolarHBondContact O-CG 3.45Å; K324-Q328 PolarHBondContact O-N 3.26Å; E325-Q328 PolarHBondContact O-N 3.48Å; K326-Q328 VanDerWaalsContact C-N 3.31Å; K326-Q328 PolarHBondContact O-N 3.28Å; Q328-G331 PolarHBondContact O-N 3.29Å; Q328-M332 WeakPolarHBondContact O-CG 3.42Å; Q328-M332 PolarHBondContact O-N 2.71Å
329K96.6Very high96.8Very high54 Ų5496.6 Ų96.624%0.23542%0.424CS..Hα-helixtrans-62.6-46.1177.6-177.2169.4-178.7156.20112.1E325 K326 M332 L333 A348 Q349 A351 T353E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 PolarHBondContact O-N 3.22Å; K326-K329 PolarHBondContact O-N 3.32Å; K329-M332 PolarHBondContact O-N 3.47Å; K329-L333 HydrophobicContact CG-CD1 4.37Å; K329-L333 WeakPolarHBondContact O-CG 3.48Å; K329-L333 PolarHBondContact O-N 2.83Å; K329-A348 WeakPolarHBondContact CE-O 3.32Å; K329-Q349 PolarHBondContact NZ-O 3.06Å; K329-A351 HydrophobicContact CD-CB 4.34Å; K329-A351 HydrophobicContact CG-CB 4.31Å; K329-A351 PolarHBondContact NZ-O 3.32Å; K329-T353 HydrophobicContact CD-CG2 4.12Å
330E95.8Very high96.7Very high92 Ų9292.6 Ų92.643%0.4343%0.427SS..Hα-helixtrans-64.8-40.1176.9-73.4-178.2177.100111.7K326 M332 L333 Y334K326-E330 WeakPolarHBondContact CE-OE1 3.11Å; K326-E330 HydrophobicContact CG-CG 4.43Å; K326-E330 IonicContact NZ-OE1 3.84Å; K326-E330 WeakPolarHBondContact O-CB 3.33Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 2.9Å; E330-M332 PolarHBondContact O-N 3.04Å; E330-L333 PolarHBondContact O-N 2.96Å; E330-Y334 WeakPolarHBondContact O-CB 3.19Å; E330-Y334 PolarHBondContact O-N 3.15Å
331G97.1Very high96.7Very high31 Ų3191.2 Ų91.232%0.3242%0.42SS..Hα-helixtrans-60.5-42.717400000112.8Q327 Q328 R335Q327-G331 PolarHBondContact O-N 3.43Å; Q328-G331 PolarHBondContact O-N 3.29Å; G331-R335 VanDerWaalsContact O-CG 3.3Å; G331-R335 WeakPolarHBondContact O-CG 3.38Å; G331-R335 PolarHBondContact O-N 2.95Å; G331-R335 VanDerWaalsContact O-N 3.08Å
332M96.4Very high96.7Very high57 Ų5793.1 Ų93.128%0.28144%0.437SS..Hα-helixtrans-64.4-45173.7-70.6-174.3-7200111.8Q328 K329 E330 Y334 R335 A336 A348 A351Q328-M332 WeakPolarHBondContact O-CG 3.42Å; Q328-M332 PolarHBondContact O-N 2.71Å; K329-M332 PolarHBondContact O-N 3.47Å; E330-M332 PolarHBondContact O-N 3.04Å; M332-Y334 VanDerWaalsContact C-N 3.34Å; M332-Y334 PolarHBondContact O-N 3.28Å; M332-R335 PolarHBondContact O-N 2.86Å; M332-A336 WeakPolarHBondContact O-CB 3.26Å; M332-A336 PolarHBondContact O-N 3.05Å; M332-A348 HydrophobicContact CB-CB 3.59Å; M332-A351 HydrophobicContact CE-CB 3.75Å
333L97.2Very high96.6Very high28 Ų2899.7 Ų99.715%0.14747%0.465CS..Hα-helixtrans-61.6-41.9177.6-78.1169.3000112.2K329 E330 A336 R337 Y345 A348 Q349K329-L333 HydrophobicContact CG-CD1 4.37Å; K329-L333 WeakPolarHBondContact O-CG 3.48Å; K329-L333 PolarHBondContact O-N 2.83Å; E330-L333 PolarHBondContact O-N 2.96Å; L333-A336 PolarHBondContact O-N 3.41Å; L333-R337 VanDerWaalsContact O-CG 3.27Å; L333-R337 WeakPolarHBondContact O-CG 3.32Å; L333-R337 PolarHBondContact O-N 2.9Å; L333-Y345 HydrophobicContact CD2-CD2 3.9Å; L333-Y345 HydrophobicContact CD2-CE2 3.82Å; L333-A348 HydrophobicContact CD2-CB 3.78Å; L333-A348 HydrophobicContact CG-CB 3.78Å; L333-Q349 HydrophobicContact CD2-CG 4.16Å
334Y95.8Very high96.6Very high154 Ų15494.2 Ų94.260%0.60445%0.448SS*.Hα-helixtrans-61.7-50.8177.4174.9-96000111E330 M332 A336 R337 Y338E330-Y334 WeakPolarHBondContact O-CB 3.19Å; E330-Y334 PolarHBondContact O-N 3.15Å; M332-Y334 VanDerWaalsContact C-N 3.34Å; M332-Y334 PolarHBondContact O-N 3.28Å; Y334-A336 VanDerWaalsContact C-N 3.33Å; Y334-A336 PolarHBondContact O-N 3.03Å; Y334-R337 PolarHBondContact O-N 3.35Å; Y334-Y338 VanDerWaalsContact O-CB 3.32Å; Y334-Y338 WeakPolarHBondContact O-CB 3.45Å; Y334-Y338 PolarHBondContact O-N 2.55Å
335R97.1Very high96.5Very high160 Ų16092.4 Ų92.460%0.60444%0.439SS*.Hα-helixtrans-59.8-43.8178-69.1172103.1140.84.7111.4G331 M332 R337 Y338 F339 L344G331-R335 VanDerWaalsContact O-CG 3.3Å; G331-R335 WeakPolarHBondContact O-CG 3.38Å; G331-R335 PolarHBondContact O-N 2.95Å; G331-R335 VanDerWaalsContact O-N 3.08Å; M332-R335 PolarHBondContact O-N 2.86Å; R335-R337 PolarHBondContact O-N 2.99Å; R335-Y338 PolarHBondContact O-N 3.07Å; R335-F339 HydrophobicContact CB-CD2 4.42Å; R335-F339 VanDerWaalsContact O-CD2 3.26Å; R335-F339 WeakPolarHBondContact O-CD2 3.3Å; R335-F339 PolarHBondContact O-N 3.24Å; R335-L344 HydrophobicContact CB-CD2 4.21Å
336A97.4Very high96.5Very high3 Ų395.5 Ų95.53%0.02545%0.453CS..Hα-helixtrans-60-44.3177.500000112.5M332 L333 Y334 G340 D341 L344 Y345M332-A336 WeakPolarHBondContact O-CB 3.26Å; M332-A336 PolarHBondContact O-N 3.05Å; L333-A336 PolarHBondContact O-N 3.41Å; Y334-A336 VanDerWaalsContact C-N 3.33Å; Y334-A336 PolarHBondContact O-N 3.03Å; A336-G340 CarbonylContact O-C 3.46Å; A336-G340 WeakPolarHBondContact O-CA 3.32Å; A336-G340 PolarHBondContact O-N 3.12Å; A336-D341 PolarHBondContact O-N 2.95Å; A336-L344 HydrophobicContact CB-CB 3.99Å; A336-L344 HydrophobicContact CB-CD2 4.04Å; A336-L344 HydrophobicContact CB-CG 3.93Å; A336-Y345 HydrophobicContact CB-CD2 4.26Å
337R95.8Very high96.5Very high167 Ų16798.6 Ų98.663%0.6346%0.462SS*.Hα-helixtrans-67.7-38.9176.4-69.8173-166.6-174.10.5112.5L333 Y334 R335 Y345L333-R337 VanDerWaalsContact O-CG 3.27Å; L333-R337 WeakPolarHBondContact O-CG 3.32Å; L333-R337 PolarHBondContact O-N 2.9Å; Y334-R337 PolarHBondContact O-N 3.35Å; R335-R337 PolarHBondContact O-N 2.99Å; R337-Y345 HydrophobicContact CG-CD2 4.18Å; R337-Y345 HydrophobicContact CG-CE2 4.07Å
338Y96.1Very high96.5Very high158 Ų15893.8 Ų93.862%0.6244%0.439SS*.Hα-helixtrans-68.1-45.1-177.6-175.8-94.5000112.2Y334 R335Y334-Y338 VanDerWaalsContact O-CB 3.32Å; Y334-Y338 WeakPolarHBondContact O-CB 3.45Å; Y334-Y338 PolarHBondContact O-N 2.55Å; R335-Y338 PolarHBondContact O-N 3.07Å
339F96.2Very high96.4Very high148 Ų14892.3 Ų92.365%0.64943%0.432SS*.Hα-helixtrans-89.3-5.3179.8-65.6-68.7000113.8R335 D341R335-F339 HydrophobicContact CB-CD2 4.42Å; R335-F339 VanDerWaalsContact O-CD2 3.26Å; R335-F339 WeakPolarHBondContact O-CD2 3.3Å; R335-F339 PolarHBondContact O-N 3.24Å; F339-D341 VanDerWaalsContact C-N 3.29Å; F339-D341 PolarHBondContact O-N 3.41Å
340G95.7Very high96.4Very high58 Ų5898.9 Ų98.960%0.59846%0.456SS*.THydrogen-bonded Turntrans71.320.9-177.600000114.3A336 S342A336-G340 CarbonylContact O-C 3.46Å; A336-G340 WeakPolarHBondContact O-CA 3.32Å; A336-G340 PolarHBondContact O-N 3.12Å; G340-S342 PolarHBondContact O-N 3.4Å
341D96.9Very high96.4Very high72 Ų7295.7 Ų95.739%0.38545%0.445SS..  trans-80.6105-178.4-174.4-19.1000111A336 F339 E343 L344 Y345A336-D341 PolarHBondContact O-N 2.95Å; F339-D341 VanDerWaalsContact C-N 3.29Å; F339-D341 PolarHBondContact O-N 3.41Å; D341-E343 PolarHBondContact OD1-N 3.5Å; D341-L344 HydrophobicContact CB-CB 3.95Å; D341-L344 VanDerWaalsContact CG-CB 3.44Å; D341-L344 PolarHBondContact OD1-N 3.11Å; D341-L344 WeakPolarHBondContact OD2-CB 3.33Å; D341-Y345 WeakPolarHBondContact O-CB 3.4Å; D341-Y345 PolarHBondContact O-N 3.1Å; D341-Y345 VanDerWaalsContact O-N 3.09Å
342S96.2Very high96.3Very high91 Ų91105.1 Ų105.164%0.63647%0.471SS*.Hα-helixtrans-70.9-31.4-178.7-66.30000113.2G340 Y345 Q346G340-S342 PolarHBondContact O-N 3.4Å; S342-Y345 PolarHBondContact O-N 3.2Å; S342-Q346 WeakPolarHBondContact O-CG 3.36Å; S342-Q346 PolarHBondContact O-N 2.83Å; S342-Q346 VanDerWaalsContact O-N 3.1Å
343E96.8Very high96.3Very high157 Ų157104.2 Ų104.273%0.73447%0.469SS*.Hα-helixtrans-72.4-47.3179.6-171.8-175.1162.400110.1D341 Y345 Q346 R347D341-E343 PolarHBondContact OD1-N 3.5Å; E343-Y345 PolarHBondContact O-N 2.88Å; E343-Q346 PolarHBondContact O-N 3.21Å; E343-R347 WeakPolarHBondContact O-CB 3.27Å; E343-R347 PolarHBondContact O-N 3.47Å
344L96.3Very high96.3Very high49 Ų49106.9 Ų106.926%0.25749%0.488SS..Hα-helixtrans-60-37.4174.9-173.765000111.1R335 A336 D341 R347 A348R335-L344 HydrophobicContact CB-CD2 4.21Å; A336-L344 HydrophobicContact CB-CB 3.99Å; A336-L344 HydrophobicContact CB-CD2 4.04Å; A336-L344 HydrophobicContact CB-CG 3.93Å; D341-L344 HydrophobicContact CB-CB 3.95Å; D341-L344 VanDerWaalsContact CG-CB 3.44Å; D341-L344 PolarHBondContact OD1-N 3.11Å; D341-L344 WeakPolarHBondContact OD2-CB 3.33Å; L344-R347 PolarHBondContact O-N 3.26Å; L344-A348 VanDerWaalsContact O-CB 3.23Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.14Å
345Y96.8Very high96.3Very high78 Ų78100.4 Ų100.431%0.30647%0.465SS..Hα-helixtrans-62-48.6176.4-174-97.8000112.1L333 A336 R337 D341 S342 E343 R347 A348 Q349L333-Y345 HydrophobicContact CD2-CD2 3.9Å; L333-Y345 HydrophobicContact CD2-CE2 3.82Å; A336-Y345 HydrophobicContact CB-CD2 4.26Å; R337-Y345 HydrophobicContact CG-CD2 4.18Å; R337-Y345 HydrophobicContact CG-CE2 4.07Å; D341-Y345 WeakPolarHBondContact O-CB 3.4Å; D341-Y345 PolarHBondContact O-N 3.1Å; D341-Y345 VanDerWaalsContact O-N 3.09Å; S342-Y345 PolarHBondContact O-N 3.2Å; E343-Y345 PolarHBondContact O-N 2.88Å; Y345-R347 PolarHBondContact O-N 2.99Å; Y345-A348 PolarHBondContact O-N 3.12Å; Y345-Q349 HydrophobicContact CD1-CG 4.39Å; Y345-Q349 HydrophobicContact CE1-CG 4.1Å; Y345-Q349 VanDerWaalsContact CZ-NE2 3.33Å; Y345-Q349 WeakPolarHBondContact O-CG 3.3Å; Y345-Q349 PolarHBondContact O-N 3.4Å; Y345-Q349 PolarHBondContact OH-NE2 3.01Å
346Q97.3Very high96.3Very high99 Ų9993.8 Ų93.846%0.46344%0.443SS..Hα-helixtrans-63.9-41177.3-71.2-172.79.400111.9S342 E343 Q349 R350S342-Q346 WeakPolarHBondContact O-CG 3.36Å; S342-Q346 PolarHBondContact O-N 2.83Å; S342-Q346 VanDerWaalsContact O-N 3.1Å; E343-Q346 PolarHBondContact O-N 3.21Å; Q346-Q349 PolarHBondContact O-N 3.24Å; Q346-R350 WeakPolarHBondContact O-CG 3.12Å; Q346-R350 PolarHBondContact O-N 2.93Å; Q346-R350 VanDerWaalsContact O-N 3.1Å
347R96.5Very high96.3Very high180 Ų18096 Ų9668%0.67946%0.462SS*.Hα-helixtrans-61-45.2174.8-177176.9177.4167.5-0.2111.4E343 L344 Y345 Q349 R350 A351E343-R347 WeakPolarHBondContact O-CB 3.27Å; E343-R347 PolarHBondContact O-N 3.47Å; L344-R347 PolarHBondContact O-N 3.26Å; Y345-R347 PolarHBondContact O-N 2.99Å; R347-Q349 PolarHBondContact O-N 3.13Å; R347-R350 CarbonylContact O-C 3.49Å; R347-R350 PolarHBondContact O-N 3.28Å; R347-A351 PolarHBondContact O-N 3.48Å
348A96.3Very high96.2Very high0 Ų092.6 Ų92.60%045%0.451CS..Hα-helixtrans-64.2-39.1178.300000111.8K329 M332 L333 L344 Y345 R350 A351K329-A348 WeakPolarHBondContact CE-O 3.32Å; M332-A348 HydrophobicContact CB-CB 3.59Å; L333-A348 HydrophobicContact CD2-CB 3.78Å; L333-A348 HydrophobicContact CG-CB 3.78Å; L344-A348 VanDerWaalsContact O-CB 3.23Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.14Å; Y345-A348 PolarHBondContact O-N 3.12Å; A348-R350 PolarHBondContact O-N 3.47Å; A348-A351 VanDerWaalsContact O-CB 3.26Å; A348-A351 WeakPolarHBondContact O-CB 3.3Å; A348-A351 PolarHBondContact O-N 3.41Å
349Q95.1Very high96.2Very high102 Ų10286.6 Ų86.648%0.47743%0.43SS..Hα-helixtrans-60.9-43.9174.2-76.7-171-15.700112.3K329 L333 Y345 Q346 R347 A351K329-Q349 PolarHBondContact NZ-O 3.06Å; L333-Q349 HydrophobicContact CD2-CG 4.16Å; Y345-Q349 HydrophobicContact CD1-CG 4.39Å; Y345-Q349 HydrophobicContact CE1-CG 4.1Å; Y345-Q349 VanDerWaalsContact CZ-NE2 3.33Å; Y345-Q349 WeakPolarHBondContact O-CG 3.3Å; Y345-Q349 PolarHBondContact O-N 3.4Å; Y345-Q349 PolarHBondContact OH-NE2 3.01Å; Q346-Q349 PolarHBondContact O-N 3.24Å; R347-Q349 PolarHBondContact O-N 3.13Å; Q349-A351 VanDerWaalsContact C-N 3.28Å; Q349-A351 PolarHBondContact O-N 3Å
350R95.7Very high96.1Very high192 Ų19282.7 Ų82.773%0.72542%0.421SS*.Hα-helixtrans-77.7-7.7179-65.3178.4-172.6158.25.8114Q346 R347 A348 R352Q346-R350 WeakPolarHBondContact O-CG 3.12Å; Q346-R350 PolarHBondContact O-N 2.93Å; Q346-R350 VanDerWaalsContact O-N 3.1Å; R347-R350 CarbonylContact O-C 3.49Å; R347-R350 PolarHBondContact O-N 3.28Å; A348-R350 PolarHBondContact O-N 3.47Å; R350-R352 PolarHBondContact O-N 3Å
351A95.3Very high96.1Very high25 Ų2586.3 Ų86.321%0.20742%0.422CS..  trans-58.9121.8176.900000109.9K329 M332 R347 A348 Q349K329-A351 HydrophobicContact CD-CB 4.34Å; K329-A351 HydrophobicContact CG-CB 4.31Å; K329-A351 PolarHBondContact NZ-O 3.32Å; M332-A351 HydrophobicContact CE-CB 3.75Å; R347-A351 PolarHBondContact O-N 3.48Å; A348-A351 VanDerWaalsContact O-CB 3.26Å; A348-A351 WeakPolarHBondContact O-CB 3.3Å; A348-A351 PolarHBondContact O-N 3.41Å; Q349-A351 VanDerWaalsContact C-N 3.28Å; Q349-A351 PolarHBondContact O-N 3Å
352R95.5Very high95.8Very high229 Ų22983.8 Ų83.886%0.86441%0.408SS*.  trans-80.1145.1-179.8-65.2-176.1178.6-176.3-0.6110.1R350 P354R350-R352 PolarHBondContact O-N 3Å; R352-P354 WeakPolarHBondContact O-CD 3.4Å
353T96.5Very high95.6Very high39 Ų3982.4 Ų82.424%0.23940%0.396CS..  trans-121.673.2175.4550000108.8E325 K329 S355 C356 A357E325-T353 HydrophobicContact CB-CG2 4.1Å; E325-T353 WeakPolarHBondContact OE2-CA 3.35Å; K329-T353 HydrophobicContact CD-CG2 4.12Å; T353-S355 VanDerWaalsContact C-N 3.31Å; T353-S355 PolarHBondContact O-N 3.47Å; T353-C356 PolarHBondContact O-N 3.03Å; T353-A357 PolarHBondContact O-N 3.33Å
354P96.8Very high95.3Very high83 Ų8378.2 Ų78.254%0.53939%0.389SS..Hα-helixtrans-62.1-36.5-171.625.4-34.3000112.7E325 R352 C356 A357 K358E325-P354 WeakPolarHBondContact OE1-CG 3.47Å; E325-P354 WeakPolarHBondContact OE2-CD 3.25Å; R352-P354 WeakPolarHBondContact O-CD 3.4Å; P354-C356 VanDerWaalsContact C-N 3.35Å; P354-A357 PolarHBondContact O-N 3.02Å; P354-K358 WeakPolarHBondContact O-CB 3.41Å; P354-K358 PolarHBondContact O-N 3.41Å
355S96.8Very high94.7Very high18 Ų1879.8 Ų79.813%0.12640%0.403CS..Hα-helixtrans-67.2-39.3178-55.60000111N321 E325 T353 L359N321-S355 WeakPolarHBondContact CB-OG 3.45Å; E325-S355 WeakPolarHBondContact OE1-CB 3.44Å; E325-S355 PolarHBondContact OE1-N 2.98Å; E325-S355 PolarHBondContact OE1-OG 3.08Å; E325-S355 WeakPolarHBondContact OE2-CB 3.4Å; E325-S355 PolarHBondContact OE2-N 2.89Å; T353-S355 VanDerWaalsContact C-N 3.31Å; T353-S355 PolarHBondContact O-N 3.47Å; S355-L359 WeakPolarHBondContact O-CB 3.32Å; S355-L359 PolarHBondContact O-N 2.81Å
356C96.5Very high93.8Very high21 Ų2181.8 Ų81.814%0.14242%0.419CS..Hα-helixtrans-65.7-41.8174.4-62.60000112.7C322 T353 P354 K358 L359 S360C322-C356 VanDerWaalsContact C-SG 3.57Å; C322-C356 WeakPolarHBondContact CA-SG 3.47Å; C322-C356 HydrophobicContact CB-CB 3.93Å; C322-C356 WeakPolarHBondContact CB-SG 3.29Å; C322-C356 PolarHBondContact O-SG 2.95Å; C322-C356 WeakPolarHBondContact SG-CA 3.35Å; C322-C356 WeakPolarHBondContact SG-CB 3.46Å; C322-C356 CovalentContact SG-SG 2.04Å; C322-C356 PolarHBondContact SG-SG 3.22Å; T353-C356 PolarHBondContact O-N 3.03Å; P354-C356 VanDerWaalsContact C-N 3.35Å; C356-K358 VanDerWaalsContact C-N 3.35Å; C356-L359 PolarHBondContact O-N 3.23Å; C356-S360 PolarHBondContact O-N 3.07Å; C356-S360 PolarHBondContact O-OG 3.39Å
357A96.4Very high92.1Very high51 Ų5187.9 Ų87.942%0.42145%0.447SS..Hα-helixtrans-61.7-45.7178.100000110.9T353 P354 L359 S360 E361T353-A357 PolarHBondContact O-N 3.33Å; P354-A357 PolarHBondContact O-N 3.02Å; A357-L359 PolarHBondContact O-N 3.27Å; A357-S360 PolarHBondContact O-N 2.99Å; A357-S360 PolarHBondContact O-OG 2.6Å; A357-E361 PolarHBondContact O-N 3.35Å
358K95.1Very high91.9Very high94 Ų9483.3 Ų83.341%0.40944%0.435SS..Hα-helixtrans-66.2-37.6177.5-165160.5-170-177.30112.8Y314 L318 P354 C356 S360 E361 I362Y314-K358 WeakPolarHBondContact OH-CD 3.37Å; Y314-K358 WeakPolarHBondContact OH-CE 3.48Å; Y314-K358 PolarHBondContact OH-NZ 3.49Å; L318-K358 HydrophobicContact CD1-CG 4.28Å; L318-K358 HydrophobicContact CD2-CB 4.5Å; P354-K358 WeakPolarHBondContact O-CB 3.41Å; P354-K358 PolarHBondContact O-N 3.41Å; C356-K358 VanDerWaalsContact C-N 3.35Å; K358-S360 VanDerWaalsContact C-N 3.33Å; K358-S360 PolarHBondContact O-N 2.69Å; K358-E361 PolarHBondContact O-N 3.12Å; K358-I362 HydrophobicContact CG-CD1 4.37Å; K358-I362 WeakPolarHBondContact O-CG1 3.49Å; K358-I362 PolarHBondContact O-N 2.64Å
359L95.6Very high91.7Very high33 Ų3387.7 Ų87.717%0.17346%0.458CS..Hα-helixtrans-60.2-44.8172.8-168.699.3000111.2I315 L318 R319 S355 C356 A357 E361 I362 T363I315-L359 HydrophobicContact CG2-CD1 4.32Å; L318-L359 HydrophobicContact CB-CD1 3.94Å; R319-L359 HydrophobicContact CB-CD1 4.36Å; R319-L359 HydrophobicContact CG-CD1 3.4Å; R319-L359 VanDerWaalsContact CG-CD1 3.4Å; R319-L359 HydrophobicContact CG-CD2 4.3Å; R319-L359 HydrophobicContact CG-CG 4.49Å; S355-L359 WeakPolarHBondContact O-CB 3.32Å; S355-L359 PolarHBondContact O-N 2.81Å; C356-L359 PolarHBondContact O-N 3.23Å; A357-L359 PolarHBondContact O-N 3.27Å; L359-E361 VanDerWaalsContact C-N 3.33Å; L359-E361 PolarHBondContact O-N 3.14Å; L359-I362 PolarHBondContact O-N 3.46Å; L359-T363 WeakPolarHBondContact O-CG2 3.19Å; L359-T363 PolarHBondContact O-N 2.82Å; L359-T363 PolarHBondContact O-OG1 2.94Å; L359-T363 VanDerWaalsContact O-OG1 3.12Å
360S94.9Very high91.5Very high66 Ų6686.9 Ų86.946%0.46246%0.457SS..Hα-helixtrans-64.1-37.9179.461.60000112.8C356 A357 K358 T363 A364C356-S360 PolarHBondContact O-N 3.07Å; C356-S360 PolarHBondContact O-OG 3.39Å; A357-S360 PolarHBondContact O-N 2.99Å; A357-S360 PolarHBondContact O-OG 2.6Å; K358-S360 VanDerWaalsContact C-N 3.33Å; K358-S360 PolarHBondContact O-N 2.69Å; S360-T363 VanDerWaalsContact CA-OG1 3.28Å; S360-T363 WeakPolarHBondContact CA-OG1 3.24Å; S360-T363 PolarHBondContact O-N 3.2Å; S360-T363 PolarHBondContact O-OG1 2.81Å; S360-A364 VanDerWaalsContact O-CB 3.28Å; S360-A364 WeakPolarHBondContact O-CB 3.33Å; S360-A364 PolarHBondContact O-N 3.49Å
361E94.3Very high91.2Very high133 Ų13380.7 Ų80.762%0.62144%0.442SS*.Hα-helixtrans-62.9-46.3175-174.3-178.9-170.600111.2A357 K358 L359 A364 S365A357-E361 PolarHBondContact O-N 3.35Å; K358-E361 PolarHBondContact O-N 3.12Å; L359-E361 VanDerWaalsContact C-N 3.33Å; L359-E361 PolarHBondContact O-N 3.14Å; E361-A364 PolarHBondContact O-N 3.02Å; E361-S365 PolarHBondContact O-N 2.78Å
362I92.2Very high91Very high19 Ų1984.2 Ų84.210%0.09746%0.456CS..Hα-helixtrans-62.4-46.7176.8-66.5166.5000110.5L284 Y314 I315 L318 K358 L359 A364 S365 L366L284-I362 HydrophobicContact CD1-CG2 4.14Å; L284-I362 HydrophobicContact CD2-CG2 4.01Å; Y314-I362 HydrophobicContact CD1-CD1 4.46Å; Y314-I362 HydrophobicContact CE1-CD1 3.96Å; I315-I362 HydrophobicContact CD1-CG2 4.38Å; I315-I362 HydrophobicContact CG1-CG2 4.49Å; L318-I362 HydrophobicContact CD1-CD1 3.65Å; K358-I362 HydrophobicContact CG-CD1 4.37Å; K358-I362 WeakPolarHBondContact O-CG1 3.49Å; K358-I362 PolarHBondContact O-N 2.64Å; L359-I362 PolarHBondContact O-N 3.46Å; I362-A364 VanDerWaalsContact C-N 3.26Å; I362-A364 PolarHBondContact O-N 3.37Å; I362-S365 PolarHBondContact O-N 3.45Å; I362-S365 VanDerWaalsContact O-N 3.13Å; I362-S365 PolarHBondContact O-OG 3.3Å; I362-L366 HydrophobicContact CG2-CD1 4.06Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 3.08Å
363T90.4Very high90.7Very high63 Ų6374.5 Ų74.539%0.38743%0.429SS..Hα-helixtrans-63.9-32.5178.151.60000112.8L359 S360 H367L359-T363 WeakPolarHBondContact O-CG2 3.19Å; L359-T363 PolarHBondContact O-N 2.82Å; L359-T363 PolarHBondContact O-OG1 2.94Å; L359-T363 VanDerWaalsContact O-OG1 3.12Å; S360-T363 VanDerWaalsContact CA-OG1 3.28Å; S360-T363 WeakPolarHBondContact CA-OG1 3.24Å; S360-T363 PolarHBondContact O-N 3.2Å; S360-T363 PolarHBondContact O-OG1 2.81Å; T363-H367 PolarHBondContact O-CD2 3.1Å
364A90.6Very high90.3Very high69 Ų6977.1 Ų77.157%0.5744%0.443SS*.Hα-helixtrans-72.7-28.3175.300000112.5S360 E361 I362 L366 H367S360-A364 VanDerWaalsContact O-CB 3.28Å; S360-A364 WeakPolarHBondContact O-CB 3.33Å; S360-A364 PolarHBondContact O-N 3.49Å; E361-A364 PolarHBondContact O-N 3.02Å; I362-A364 VanDerWaalsContact C-N 3.26Å; I362-A364 PolarHBondContact O-N 3.37Å; A364-L366 VanDerWaalsContact C-N 3.34Å; A364-H367 VanDerWaalsContact O-OXT 3.13Å
365S84.5Confident89.8Confident81 Ų8176.6 Ų76.657%0.56644%0.435SS*.Hα-helixtrans-79.3-15176.669.10000114.4E361 I362E361-S365 PolarHBondContact O-N 2.78Å; I362-S365 PolarHBondContact O-N 3.45Å; I362-S365 VanDerWaalsContact O-N 3.13Å; I362-S365 PolarHBondContact O-OG 3.3Å
366L77.6Confident89.2Confident120 Ų12081.5 Ų81.563%0.62846%0.461SS*.  trans-93.3-10.7180-71169000113.4I362 A364I362-L366 HydrophobicContact CG2-CD1 4.06Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 3.08Å; A364-L366 VanDerWaalsContact C-N 3.34Å
367H62.3Low88.5Confident228 Ų22887 Ų87100%1.05649%0.49SS*.  trans-109.40175.6-83-67.4000109.7T363 A364T363-H367 PolarHBondContact O-CD2 3.1Å; A364-H367 VanDerWaalsContact O-OXT 3.13Å

Retrieved 367 of 367 residues in 89.6 ms (Link to these results)

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