A0A093HWR0_STRCA Loading...

Usher syndrome type-1G protein

AlphaFold DB , UniProt , Accession A0A093HWR0, Species STRCA (Struthio camelus australis), Gene n/a, Length 469 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
1M51Low84.5Confident161 Ų16168.5 Ų68.579%0.79332%0.317SS*.  0158.60-82.671.7162.900109.2D3 E30M1-D3 WeakPolarHBondContact CB-OD1 3.41Å; M1-D3 PolarHBondContact O-N 3.22Å; M1-E30 WeakPolarHBondContact CE-OE1 3.4Å
2N63.2Low85.1Confident107 Ų10764.9 Ų64.957%0.57231%0.312SS*.  trans-80.870.9176.3-79-10000110.2Q4 H6N2-Q4 PolarHBondContact O-N 3.35Å; N2-Q4 VanDerWaalsContact O-N 3.11Å; N2-H6 PolarHBondContact O-ND1 3.37Å
3D82Confident85.7Confident50 Ų5070.8 Ų70.827%0.26733%0.33SS..THydrogen-bonded Turntrans-72.3-3.2-179.9-54.1-2.2000112.1M1 Y5 H6 R7M1-D3 WeakPolarHBondContact CB-OD1 3.41Å; M1-D3 PolarHBondContact O-N 3.22Å; D3-Y5 VanDerWaalsContact C-N 3.33Å; D3-Y5 PolarHBondContact O-N 2.78Å; D3-H6 PolarHBondContact O-N 3.22Å; D3-R7 VanDerWaalsContact CB-NH1 3.27Å; D3-R7 PolarHBondContact O-N 3.2Å; D3-R7 IonicContact OD2-NH1 2.66Å
4Q89.6Confident86.2Confident84 Ų8470.1 Ų70.139%0.39333%0.329SS..Hα-helixtrans-55.9-46.3179.1179.4177.7-13.600111.7N2 A8 L16N2-Q4 PolarHBondContact O-N 3.35Å; N2-Q4 VanDerWaalsContact O-N 3.11Å; Q4-A8 VanDerWaalsContact O-CB 3.28Å; Q4-A8 WeakPolarHBondContact O-CB 3.33Å; Q4-A8 PolarHBondContact O-N 3.49Å; Q4-L16 HydrophobicContact CG-CD1 4.42Å
5Y90.9Very high86.6Confident30 Ų3072.8 Ų72.812%0.11835%0.347CS..Hα-helixtrans-75.3-29.5-179.3-58.4-64.5000112.7D3 A8 A9 L16 A20 D24D3-Y5 VanDerWaalsContact C-N 3.33Å; D3-Y5 PolarHBondContact O-N 2.78Å; Y5-A8 PolarHBondContact O-N 2.66Å; Y5-A9 VanDerWaalsContact O-CB 3.3Å; Y5-A9 WeakPolarHBondContact O-CB 3.33Å; Y5-A9 PolarHBondContact O-N 3.06Å; Y5-L16 WeakPolarHBondContact CE1-O 3.41Å; Y5-A20 HydrophobicContact CD1-CB 3.58Å; Y5-A20 HydrophobicContact CE1-CB 3.48Å; Y5-A20 VanDerWaalsContact CE1-CB 3.48Å; Y5-A20 HydrophobicContact CG-CB 4.22Å; Y5-D24 HydrophobicContact CD2-CB 3.56Å; Y5-D24 HydrophobicContact CE2-CB 3.57Å; Y5-D24 HydrophobicContact CG-CB 4.39Å
6H91.1Very high86.8Confident8 Ų872 Ų724%0.03735%0.345CS..Hα-helixtrans-63.4-50.7172-6087000110.3N2 D3 A8 A9 R10 S27 M33 W38N2-H6 PolarHBondContact O-ND1 3.37Å; D3-H6 PolarHBondContact O-N 3.22Å; H6-A8 PolarHBondContact O-N 3Å; H6-A9 PolarHBondContact O-N 3.14Å; H6-R10 WeakPolarHBondContact O-CB 3.45Å; H6-R10 PolarHBondContact O-N 3.19Å; H6-S27 PolarHBondContact NE2-O 3.12Å; H6-S27 VanDerWaalsContact NE2-O 3.13Å; H6-M33 PolarHBondContact CD2-O 3.47Å; H6-M33 PolarHBondContact NE2-O 3.09Å; H6-W38 AromaticContact CD2-CD1 3.81Å
7R91.6Very high86.9Confident133 Ų13367.8 Ų67.850%0.50233%0.325SS..Hα-helixtrans-61.9-41.8174.4-71.2-170.6-68.3-91.8-0.3112.4D3 A9 R10 D11D3-R7 VanDerWaalsContact CB-NH1 3.27Å; D3-R7 PolarHBondContact O-N 3.2Å; D3-R7 IonicContact OD2-NH1 2.66Å; R7-A9 VanDerWaalsContact C-N 3.34Å; R7-A9 PolarHBondContact O-N 3.48Å; R7-R10 WeakPolarHBondContact O-CB 3.46Å; R7-R10 PolarHBondContact O-N 2.64Å; R7-D11 WeakPolarHBondContact O-CB 3.31Å; R7-D11 PolarHBondContact O-N 3.27Å
8A93.1Very high87.1Confident1 Ų169.5 Ų69.51%0.00833%0.331CS..Hα-helixtrans-62.1-41.1177.200000112.1Q4 Y5 H6 G12 Y13 L16 L17Q4-A8 VanDerWaalsContact O-CB 3.28Å; Q4-A8 WeakPolarHBondContact O-CB 3.33Å; Q4-A8 PolarHBondContact O-N 3.49Å; Y5-A8 PolarHBondContact O-N 2.66Å; H6-A8 PolarHBondContact O-N 3Å; A8-G12 CarbonylContact O-C 3.57Å; A8-G12 WeakPolarHBondContact O-CA 3.26Å; A8-G12 PolarHBondContact O-N 3.32Å; A8-Y13 PolarHBondContact O-N 3.35Å; A8-L16 HydrophobicContact CB-CB 3.96Å; A8-L16 HydrophobicContact CB-CD1 4.27Å; A8-L17 HydrophobicContact CB-CD2 4.02Å; A8-L17 HydrophobicContact CB-CG 4Å
9A93Very high87.3Confident0 Ų073.2 Ų73.20%035%0.347CS..Hα-helixtrans-67.1-36.9174.500000112.7Y5 H6 R7 L17 P35 W38 A39 N44 I51Y5-A9 VanDerWaalsContact O-CB 3.3Å; Y5-A9 WeakPolarHBondContact O-CB 3.33Å; Y5-A9 PolarHBondContact O-N 3.06Å; H6-A9 PolarHBondContact O-N 3.14Å; R7-A9 VanDerWaalsContact C-N 3.34Å; R7-A9 PolarHBondContact O-N 3.48Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; A9-P35 HydrophobicContact CB-CB 3.92Å; A9-P35 WeakPolarHBondContact CB-O 3.3Å; A9-W38 HydrophobicContact CB-CB 4.32Å; A9-A39 HydrophobicContact CB-CB 4.24Å; A9-N44 PolarHBondContact O-ND2 3.14Å; A9-I51 HydrophobicContact CB-CD1 3.64Å
10R92.3Very high87.3Confident108 Ų10869.8 Ų69.841%0.40833%0.332SS..Hα-helixtrans-65.4-44.5177.3-159.7-167.473.2168.90.4113.4H6 R7 W38 H42 N44H6-R10 WeakPolarHBondContact O-CB 3.45Å; H6-R10 PolarHBondContact O-N 3.19Å; R7-R10 WeakPolarHBondContact O-CB 3.46Å; R7-R10 PolarHBondContact O-N 2.64Å; R10-W38 HydrophobicContact CB-CE3 4.48Å; R10-W38 HydrophobicContact CG-CD2 4.48Å; R10-W38 HydrophobicContact CG-CE3 3.82Å; R10-W38 HydrophobicContact CG-CZ3 4.26Å; R10-H42 WeakPolarHBondContact CG-CD2 3.4Å; R10-H42 WeakPolarHBondContact CG-NE2 3.27Å; R10-N44 PolarHBondContact O-ND2 2.83Å
11D91.8Very high87.3Confident72 Ų7269.9 Ų69.939%0.38534%0.337SS..Hα-helixtrans-95.7-7.9-174.3-59.2-18.1000111.9R7 Y13R7-D11 WeakPolarHBondContact O-CB 3.31Å; R7-D11 PolarHBondContact O-N 3.27Å; D11-Y13 HydrophobicContact CB-CD2 3.63Å; D11-Y13 HydrophobicContact CB-CE2 3.42Å; D11-Y13 VanDerWaalsContact CB-CE2 3.42Å
12G91.1Very high89.1Confident25 Ų2568.2 Ų68.226%0.25833%0.326SS..THydrogen-bonded Turntrans82.521.4176.900000114.8A8 L14 N44A8-G12 CarbonylContact O-C 3.57Å; A8-G12 WeakPolarHBondContact O-CA 3.26Å; A8-G12 PolarHBondContact O-N 3.32Å; G12-L14 PolarHBondContact O-N 2.76Å; G12-N44 PolarHBondContact N-ND2 3.31Å
13Y93Very high90.3Very high141 Ų14171.6 Ų71.655%0.55334%0.335SS*.  trans-73.790.9179.6-67.7-61.6000112A8 D11 D15 L17A8-Y13 PolarHBondContact O-N 3.35Å; D11-Y13 HydrophobicContact CB-CD2 3.63Å; D11-Y13 HydrophobicContact CB-CE2 3.42Å; D11-Y13 VanDerWaalsContact CB-CE2 3.42Å; Y13-D15 PolarHBondContact O-N 3.32Å; Y13-L17 WeakPolarHBondContact O-CG 3.46Å; Y13-L17 PolarHBondContact O-N 3.26Å
14L93.3Very high90.6Very high61 Ų6170.8 Ų70.832%0.31933%0.331SS..Hα-helixtrans-63.4-36.1-174.4-57.1-178.3000113.7G12 L16 L17 K18 D46 A47 L50G12-L14 PolarHBondContact O-N 2.76Å; L14-L16 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-K18 WeakPolarHBondContact O-CG 3.49Å; L14-K18 PolarHBondContact O-N 2.89Å; L14-D46 HydrophobicContact CD1-CB 4.14Å; L14-D46 HydrophobicContact CD2-CB 3.95Å; L14-A47 HydrophobicContact CD2-CB 4.19Å; L14-L50 HydrophobicContact CB-CD2 4.31Å; L14-L50 HydrophobicContact CD2-CD2 4.35Å; L14-L50 WeakPolarHBondContact O-CD2 3.41Å
15D92.1Very high90.6Very high111 Ų11166.8 Ų66.859%0.59431%0.312SS*.Hα-helixtrans-66.6-40.5-174.6-63-36.5000112.2Y13 L17 K18Y13-D15 PolarHBondContact O-N 3.32Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 3.44Å; D15-K18 WeakPolarHBondContact O-CB 3.39Å; D15-K18 PolarHBondContact O-N 3.22Å; D15-K18 IonicContact OD1-NZ 3.98Å; D15-K18 PolarHBondContact OD1-NZ 3.21Å
16L89.9Confident90.6Very high60 Ų6066.7 Ų66.731%0.31431%0.314SS..Hα-helixtrans-65.4-37.8172.9-66.5-179.1000111.9Q4 Y5 A8 L14 K18 E19 A20Q4-L16 HydrophobicContact CG-CD1 4.42Å; Y5-L16 WeakPolarHBondContact CE1-O 3.41Å; A8-L16 HydrophobicContact CB-CB 3.96Å; A8-L16 HydrophobicContact CB-CD1 4.27Å; L14-L16 PolarHBondContact O-N 3.43Å; L16-K18 VanDerWaalsContact C-N 3.27Å; L16-K18 PolarHBondContact O-N 3.46Å; L16-E19 PolarHBondContact O-N 3.26Å; L16-A20 PolarHBondContact O-N 3.03Å
17L89.3Confident90.5Very high1 Ų168.2 Ų68.21%0.00533%0.326CS..Hα-helixtrans-69.7-24.2177.5-67.2172000112.8A8 A9 Y13 L14 D15 E19 A20 L25 A47 L50 I51A8-L17 HydrophobicContact CB-CD2 4.02Å; A8-L17 HydrophobicContact CB-CG 4Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; Y13-L17 WeakPolarHBondContact O-CG 3.46Å; Y13-L17 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 3.31Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 3.44Å; L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3Å; L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 3.09Å; L17-L25 HydrophobicContact CD2-CD2 4.37Å; L17-A47 HydrophobicContact CD1-CB 3.63Å; L17-L50 HydrophobicContact CB-CD2 3.61Å; L17-L50 HydrophobicContact CB-CG 4.43Å; L17-I51 HydrophobicContact CD1-CD1 4.09Å; L17-I51 HydrophobicContact CD1-CG1 4.17Å; L17-I51 HydrophobicContact CD2-CD1 4.03Å; L17-I51 HydrophobicContact CD2-CG1 4.01Å
18K90.6Very high90.5Very high98 Ų9865.3 Ų65.343%0.42632%0.324SS..Hα-helixtrans-69.8-25173.1-71.2169.7-166.6159.60112.4L14 D15 L16 L50 R54L14-K18 WeakPolarHBondContact O-CG 3.49Å; L14-K18 PolarHBondContact O-N 2.89Å; D15-K18 WeakPolarHBondContact O-CB 3.39Å; D15-K18 PolarHBondContact O-N 3.22Å; D15-K18 IonicContact OD1-NZ 3.98Å; D15-K18 PolarHBondContact OD1-NZ 3.21Å; L16-K18 VanDerWaalsContact C-N 3.27Å; L16-K18 PolarHBondContact O-N 3.46Å; K18-L50 HydrophobicContact CG-CD1 4.21Å; K18-L50 HydrophobicContact CG-CD2 3.85Å; K18-R54 PolarHBondContact O-NH1 3.02Å; K18-R54 PolarHBondContact O-NH2 3.49Å
19E89.3Confident90.3Very high139 Ų13967 Ų6765%0.6533%0.333SS*.Hα-helixtrans-86.5-15.2178-64.9176.5-179.100112.3L16 L17L16-E19 PolarHBondContact O-N 3.26Å; L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3Å
20A87.3Confident90Very high5 Ų573.5 Ų73.54%0.04136%0.363CS..  trans-64.4139.9-17600000113.1Y5 L16 L17 L25Y5-A20 HydrophobicContact CD1-CB 3.58Å; Y5-A20 HydrophobicContact CE1-CB 3.48Å; Y5-A20 VanDerWaalsContact CE1-CB 3.48Å; Y5-A20 HydrophobicContact CG-CB 4.22Å; L16-A20 PolarHBondContact O-N 3.03Å; L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 3.09Å; A20-L25 HydrophobicContact CB-CD1 4.39Å; A20-L25 HydrophobicContact CB-CD2 3.71Å; A20-L25 HydrophobicContact CB-CG 3.95Å
21T88.4Confident89.7Confident72 Ų7272 Ų7244%0.44236%0.363SS..  trans-88.1160.9171.176.50000111.5K23 D24 L25T21-K23 PolarHBondContact O-N 3.17Å; T21-K23 VanDerWaalsContact O-N 3.16Å; T21-D24 WeakPolarHBondContact CB-OD2 3.46Å; T21-D24 PolarHBondContact N-OD2 3.3Å; T21-D24 PolarHBondContact O-N 3.23Å; T21-D24 VanDerWaalsContact O-N 3.09Å; T21-D24 VanDerWaalsContact OG1-CG 3.22Å; T21-D24 PolarHBondContact OG1-OD2 3.32Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 2.78Å; T21-L25 VanDerWaalsContact O-N 3.13Å
22K88.8Confident89.5Confident126 Ų12669.2 Ų69.255%0.54835%0.351SS..Hα-helixtrans-55.6-33.8176.8-180170.4-178.5175.40113.3N26 G55K22-N26 PolarHBondContact O-N 3.25Å; K22-N26 PolarHBondContact O-ND2 3.36Å; K22-G55 VanDerWaalsContact CE-O 3.31Å; K22-G55 WeakPolarHBondContact CE-O 3.24Å; K22-G55 WeakPolarHBondContact CG-O 3.38Å
23K87.9Confident89.5Confident178 Ų17868.6 Ų68.677%0.77434%0.342SS*.Hα-helixtrans-69.5-40.4179-69.9-177.5-179.1177.80111.3T21 L25 N26 S27T21-K23 PolarHBondContact O-N 3.17Å; T21-K23 VanDerWaalsContact O-N 3.16Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.33Å; K23-N26 PolarHBondContact O-N 3.1Å; K23-S27 PolarHBondContact O-N 3.46Å
24D89.2Confident89.5Confident33 Ų3361.9 Ų61.918%0.17632%0.315CS..Hα-helixtrans-67.7-35179.6-55.6-45.8000111.9Y5 T21 N26 S27Y5-D24 HydrophobicContact CD2-CB 3.56Å; Y5-D24 HydrophobicContact CE2-CB 3.57Å; Y5-D24 HydrophobicContact CG-CB 4.39Å; T21-D24 WeakPolarHBondContact CB-OD2 3.46Å; T21-D24 PolarHBondContact N-OD2 3.3Å; T21-D24 PolarHBondContact O-N 3.23Å; T21-D24 VanDerWaalsContact O-N 3.09Å; T21-D24 VanDerWaalsContact OG1-CG 3.22Å; T21-D24 PolarHBondContact OG1-OD2 3.32Å; D24-N26 PolarHBondContact O-N 3.01Å; D24-S27 PolarHBondContact O-OG 3.49Å
25L89.2Confident89.5Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-72.1-15.8177.2-64.6178.2000114L17 A20 T21 K23 P35 I51 R54L17-L25 HydrophobicContact CD2-CD2 4.37Å; A20-L25 HydrophobicContact CB-CD1 4.39Å; A20-L25 HydrophobicContact CB-CD2 3.71Å; A20-L25 HydrophobicContact CB-CG 3.95Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 2.78Å; T21-L25 VanDerWaalsContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.33Å; L25-P35 HydrophobicContact CD2-CB 4.26Å; L25-P35 WeakPolarHBondContact O-CD 2.98Å; L25-I51 HydrophobicContact CB-CG2 4.31Å; L25-I51 HydrophobicContact CD1-CG2 4.21Å; L25-I51 HydrophobicContact CD2-CB 4.44Å; L25-I51 HydrophobicContact CD2-CG1 3.98Å; L25-I51 HydrophobicContact CD2-CG2 4.02Å; L25-I51 HydrophobicContact CG-CG2 4.4Å; L25-R54 HydrophobicContact CD1-CB 3.52Å
26N90.3Very high89.6Confident29 Ų2953.7 Ų53.716%0.15527%0.272CS..Hα-helixtrans-116.51.5-178.9-67.7-55.1000113.1K22 K23 D24 P28 G55 D57K22-N26 PolarHBondContact O-N 3.25Å; K22-N26 PolarHBondContact O-ND2 3.36Å; K23-N26 PolarHBondContact O-N 3.1Å; D24-N26 PolarHBondContact O-N 3.01Å; N26-P28 WeakPolarHBondContact O-CD 3.44Å; N26-G55 PolarHBondContact ND2-O 3.39Å; N26-D57 WeakPolarHBondContact OD1-CB 3.27Å; N26-D57 PolarHBondContact OD1-N 3.17Å
27S89.9Confident89.8Confident40 Ų4050.8 Ų50.828%0.2826%0.257SS..  trans-72.8124.1172.360.40000109.2H6 K23 D24H6-S27 PolarHBondContact NE2-O 3.12Å; H6-S27 VanDerWaalsContact NE2-O 3.13Å; K23-S27 PolarHBondContact O-N 3.46Å; D24-S27 PolarHBondContact O-OG 3.49Å
28P90.3Very high90.1Very high72 Ų7253.2 Ų53.247%0.46827%0.266SS..  trans-77.8147.1173.830.8-32.5000111.5N26 M33N26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-M33 CarbonylContact C-O 3.58Å; P28-M33 WeakPolarHBondContact CA-O 3.42Å
29D89.4Confident90.3Very high36 Ų3648.6 Ų48.619%0.19325%0.246CC..  trans-77.7-176.8166.3-158.3-2.8000111.5D31 G32 M33D29-D31 PolarHBondContact O-N 3.33Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 3.38Å; D29-M33 HydrophobicContact CB-CB 4.49Å; D29-M33 WeakPolarHBondContact CB-O 3.28Å; D29-M33 PolarHBondContact N-O 3.17Å
30E86.8Confident90.6Very high136 Ų13642 Ų4264%0.63622%0.215SC*.THydrogen-bonded Turntrans-54.9-35.6177.7-62.9-63.4150.700112.8M1 G32M1-E30 WeakPolarHBondContact CE-OE1 3.4Å; E30-G32 PolarHBondContact O-N 3.22Å
31D85.4Confident91Very high77 Ų7746.5 Ų46.541%0.41223%0.232SC..THydrogen-bonded Turntrans-85.110.1176.1-65.6-38.6000113.2D29 M33 I63 W64D29-D31 PolarHBondContact O-N 3.33Å; D31-M33 HydrophobicContact CB-CG 3.98Å; D31-M33 PolarHBondContact O-N 3.03Å; D31-I63 WeakPolarHBondContact O-CG1 3.36Å; D31-I63 WeakPolarHBondContact O-CG2 3.44Å; D31-I63 PolarHBondContact O-N 2.9Å; D31-W64 HydrophobicContact CB-CH2 4.43Å; D31-W64 HydrophobicContact CB-CZ3 4.45Å
32G88.3Confident91.3Very high13 Ų1346.5 Ų46.513%0.13423%0.226CC..SBendtrans743.1-175.100000113.9D29 E30D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 3.38Å; E30-G32 PolarHBondContact O-N 3.22Å
33M91.6Very high91.5Very high12 Ų1241.6 Ų41.66%0.05921%0.212CC..  trans-75.2129-175.9-69.5-70.1-74.600111H6 P28 D29 D31 L37 W38 D62 L71H6-M33 PolarHBondContact CD2-O 3.47Å; H6-M33 PolarHBondContact NE2-O 3.09Å; P28-M33 CarbonylContact C-O 3.58Å; P28-M33 WeakPolarHBondContact CA-O 3.42Å; D29-M33 HydrophobicContact CB-CB 4.49Å; D29-M33 WeakPolarHBondContact CB-O 3.28Å; D29-M33 PolarHBondContact N-O 3.17Å; D31-M33 HydrophobicContact CB-CG 3.98Å; D31-M33 PolarHBondContact O-N 3.03Å; M33-L37 HydrophobicContact CE-CB 3.69Å; M33-L37 HydrophobicContact SD-CB 3.88Å; M33-L37 HydrophobicContact SD-CD1 4.26Å; M33-W38 HydrophobicContact CE-CD2 4.1Å; M33-W38 HydrophobicContact CE-CE3 4.46Å; M33-W38 HydrophobicContact CE-CG 4.3Å; M33-D62 HydrophobicContact CG-CB 4.44Å; M33-D62 HydrophobicContact SD-CB 3.69Å; M33-L71 HydrophobicContact CE-CD1 3.79Å; M33-L71 HydrophobicContact SD-CD1 4.19Å
34T93.1Very high91.9Very high0 Ų035.1 Ų35.10%019%0.186CC..  trans-94.2163.5170.961.70000110.6T36 L37 W38 K60T34-T36 PolarHBondContact O-N 3.23Å; T34-L37 HydrophobicContact CG2-CD1 4.41Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.46Å; T34-L37 PolarHBondContact OG1-N 2.96Å; T34-W38 PolarHBondContact O-N 3.29Å; T34-K60 HydrophobicContact CG2-CG 3.86Å
35P93.3Very high92.2Very high0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-52.3-37170.5-29.838.3000113.1A9 L25 L37 W38 A39 I51A9-P35 HydrophobicContact CB-CB 3.92Å; A9-P35 WeakPolarHBondContact CB-O 3.3Å; L25-P35 HydrophobicContact CD2-CB 4.26Å; L25-P35 WeakPolarHBondContact O-CD 2.98Å; P35-L37 PolarHBondContact O-N 3.49Å; P35-W38 PolarHBondContact O-N 3.03Å; P35-A39 PolarHBondContact O-N 3.41Å; P35-I51 HydrophobicContact CB-CD1 4.19Å
36T94.1Very high92.5Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-61.4-42.7175.1-41.40000112.3T34 A39 A40 L48 I51 V52 P68T34-T36 PolarHBondContact O-N 3.23Å; T36-A39 PolarHBondContact O-N 3.35Å; T36-A40 PolarHBondContact O-N 3.2Å; T36-A40 VanDerWaalsContact O-N 3.12Å; T36-L48 HydrophobicContact CG2-CD1 3.76Å; T36-I51 HydrophobicContact CG2-CG2 4.38Å; T36-I51 VanDerWaalsContact OG1-CG2 3.26Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.49Å; T36-V52 HydrophobicContact CG2-CG2 4.18Å; T36-P68 HydrophobicContact CG2-CG 4.14Å
37L94.4Very high92.7Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-65-42.7177.2-75.8157.4000111.2M33 T34 P35 A40 Y41 D62 N66 P68 L71M33-L37 HydrophobicContact CE-CB 3.69Å; M33-L37 HydrophobicContact SD-CB 3.88Å; M33-L37 HydrophobicContact SD-CD1 4.26Å; T34-L37 HydrophobicContact CG2-CD1 4.41Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.46Å; T34-L37 PolarHBondContact OG1-N 2.96Å; P35-L37 PolarHBondContact O-N 3.49Å; L37-A40 PolarHBondContact O-N 3.45Å; L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.45Å; L37-D62 HydrophobicContact CD1-CB 4.22Å; L37-N66 WeakPolarHBondContact CD2-O 3.41Å; L37-P68 HydrophobicContact CD2-CG 3.88Å; L37-P68 HydrophobicContact CG-CG 4.15Å; L37-L71 HydrophobicContact CB-CD1 3.92Å; L37-L71 HydrophobicContact CD2-CD1 3.47Å; L37-L71 VanDerWaalsContact CD2-CD1 3.47Å; L37-L71 HydrophobicContact CD2-CG 4.21Å; L37-L71 HydrophobicContact CG-CD1 4.33Å
38W94.5Very high92.9Very high52 Ų5236.7 Ų36.720%0.19719%0.191CC..Hα-helixtrans-62.9-42.6176-81.8111.4000113.2H6 A9 R10 M33 T34 P35 A40 Y41 H42H6-W38 AromaticContact CD2-CD1 3.81Å; A9-W38 HydrophobicContact CB-CB 4.32Å; R10-W38 HydrophobicContact CB-CE3 4.48Å; R10-W38 HydrophobicContact CG-CD2 4.48Å; R10-W38 HydrophobicContact CG-CE3 3.82Å; R10-W38 HydrophobicContact CG-CZ3 4.26Å; M33-W38 HydrophobicContact CE-CD2 4.1Å; M33-W38 HydrophobicContact CE-CE3 4.46Å; M33-W38 HydrophobicContact CE-CG 4.3Å; T34-W38 PolarHBondContact O-N 3.29Å; P35-W38 PolarHBondContact O-N 3.03Å; W38-A40 VanDerWaalsContact C-N 3.34Å; W38-A40 PolarHBondContact O-N 2.9Å; W38-Y41 HydrophobicContact CE3-CD1 4.48Å; W38-Y41 HydrophobicContact CZ3-CD1 4.38Å; W38-Y41 PolarHBondContact O-N 3.4Å; W38-H42 AromaticContact CE3-CD2 3.71Å; W38-H42 AromaticContact CE3-NE2 3.51Å; W38-H42 AromaticContact CZ3-NE2 3.5Å; W38-H42 WeakPolarHBondContact CZ3-NE2 3.41Å; W38-H42 PolarHBondContact O-CD2 3.18Å; W38-H42 PolarHBondContact O-N 3.38Å
39A95.1Very high93.2Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-62.2-42176.500000111.8A9 P35 T36 G43 N44 A47 L48 I51A9-A39 HydrophobicContact CB-CB 4.24Å; P35-A39 PolarHBondContact O-N 3.41Å; T36-A39 PolarHBondContact O-N 3.35Å; A39-G43 PolarHBondContact O-N 3.19Å; A39-N44 PolarHBondContact O-N 3.01Å; A39-A47 HydrophobicContact CB-CB 4.23Å; A39-L48 HydrophobicContact CB-CB 4.07Å; A39-L48 HydrophobicContact CB-CD1 4.07Å; A39-I51 HydrophobicContact CB-CD1 4.05Å
40A95.4Very high93.4Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-68.7-38176.900000112.6T36 L37 W38 G43 L48 P68 A72 H77T36-A40 PolarHBondContact O-N 3.2Å; T36-A40 VanDerWaalsContact O-N 3.12Å; L37-A40 PolarHBondContact O-N 3.45Å; W38-A40 VanDerWaalsContact C-N 3.34Å; W38-A40 PolarHBondContact O-N 2.9Å; A40-G43 PolarHBondContact O-N 2.96Å; A40-L48 HydrophobicContact CB-CD1 4.25Å; A40-P68 HydrophobicContact CB-CB 3.8Å; A40-P68 WeakPolarHBondContact CB-O 3.29Å; A40-A72 HydrophobicContact CB-CB 4.49Å; A40-H77 PolarHBondContact O-CD2 2.82Å
41Y95.2Very high93.7Very high100 Ų10032.5 Ų32.539%0.39216%0.16SC..Hα-helixtrans-63.1-42177.1-175.2-92.2000112.3L37 W38 L71 N75 H77L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.45Å; W38-Y41 HydrophobicContact CE3-CD1 4.48Å; W38-Y41 HydrophobicContact CZ3-CD1 4.38Å; W38-Y41 PolarHBondContact O-N 3.4Å; Y41-L71 HydrophobicContact CD2-CB 4.43Å; Y41-L71 HydrophobicContact CD2-CD1 4.41Å; Y41-L71 HydrophobicContact CD2-CD2 4.24Å; Y41-N75 WeakPolarHBondContact CD2-ND2 3.39Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.34Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.28Å; Y41-N75 PolarHBondContact O-ND2 3.48Å; Y41-H77 PolarHBondContact O-CD2 3.47Å; Y41-H77 PolarHBondContact O-NE2 3.24Å; Y41-H77 VanDerWaalsContact O-NE2 3.14Å
42H94.9Very high94.1Very high72 Ų7229.1 Ų29.133%0.33314%0.142SC..Hα-helixtrans-88.2-5.2179.1-74.1-79.1000114.4R10 W38 N44R10-H42 WeakPolarHBondContact CG-CD2 3.4Å; R10-H42 WeakPolarHBondContact CG-NE2 3.27Å; W38-H42 AromaticContact CE3-CD2 3.71Å; W38-H42 AromaticContact CE3-NE2 3.51Å; W38-H42 AromaticContact CZ3-NE2 3.5Å; W38-H42 WeakPolarHBondContact CZ3-NE2 3.41Å; W38-H42 PolarHBondContact O-CD2 3.18Å; W38-H42 PolarHBondContact O-N 3.38Å; H42-N44 VanDerWaalsContact C-N 3.34Å
43G94.2Very high94.3Very high23 Ų2333 Ų3324%0.23717%0.167CC..THydrogen-bonded Turntrans76.719.6179.700000114.3A39 A40 L45 H77 C80A39-G43 PolarHBondContact O-N 3.19Å; A40-G43 PolarHBondContact O-N 2.96Å; G43-L45 PolarHBondContact O-N 3.42Å; G43-H77 WeakPolarHBondContact CA-CD2 3.17Å; G43-H77 PolarHBondContact N-CD2 3.3Å; G43-H77 VanDerWaalsContact N-CD2 3.29Å; G43-H77 PolarHBondContact N-NE2 3.2Å; G43-C80 VanDerWaalsContact CA-SG 3.58Å; G43-C80 PolarHBondContact O-SG 3.19Å
44N95.6Very high94.2Very high43 Ų4337.8 Ų37.823%0.2318%0.184CC..  trans-77.584.2179.3-67.9-26.9000110.7A9 R10 G12 A39 H42 D46 A47 L48A9-N44 PolarHBondContact O-ND2 3.14Å; R10-N44 PolarHBondContact O-ND2 2.83Å; G12-N44 PolarHBondContact N-ND2 3.31Å; A39-N44 PolarHBondContact O-N 3.01Å; H42-N44 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact O-N 3.44Å; N44-A47 HydrophobicContact CB-CB 3.86Å; N44-A47 PolarHBondContact O-N 3.09Å; N44-L48 WeakPolarHBondContact O-CB 3.36Å; N44-L48 PolarHBondContact O-N 2.97Å
45L95.1Very high94Very high33 Ų3338.8 Ų38.817%0.17320%0.195CC..Hα-helixtrans-60.1-41.3-177.1171.3151.6000113.1G43 L48 R49 N79G43-L45 PolarHBondContact O-N 3.42Å; L45-L48 PolarHBondContact O-N 2.89Å; L45-R49 HydrophobicContact CD2-CG 4.33Å; L45-R49 VanDerWaalsContact CD2-CZ 3.47Å; L45-R49 WeakPolarHBondContact O-CB 3.46Å; L45-R49 WeakPolarHBondContact O-CG 3.33Å; L45-R49 PolarHBondContact O-N 3.04Å; L45-N79 HydrophobicContact CD1-CB 3.62Å; L45-N79 WeakPolarHBondContact CD1-O 3.47Å
46D95.4Very high93.9Very high100 Ų10038.9 Ų38.954%0.53520%0.196SC..Hα-helixtrans-68.4-40.4-178-65.7-37000111.7L14 N44 R49 L50L14-D46 HydrophobicContact CD1-CB 4.14Å; L14-D46 HydrophobicContact CD2-CB 3.95Å; N44-D46 PolarHBondContact O-N 3.44Å; D46-R49 PolarHBondContact O-N 3.25Å; D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 3.48Å
47A94.7Very high93.7Very high1 Ų142.2 Ų42.21%0.00821%0.214CC..Hα-helixtrans-63-45.9172.700000110.5L14 L17 A39 N44 R49 L50 I51L14-A47 HydrophobicContact CD2-CB 4.19Å; L17-A47 HydrophobicContact CD1-CB 3.63Å; A39-A47 HydrophobicContact CB-CB 4.23Å; N44-A47 HydrophobicContact CB-CB 3.86Å; N44-A47 PolarHBondContact O-N 3.09Å; A47-R49 PolarHBondContact O-N 3.33Å; A47-L50 PolarHBondContact O-N 2.93Å; A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.33Å; A47-I51 WeakPolarHBondContact O-CG1 3.38Å; A47-I51 PolarHBondContact O-N 3.39Å
48L95.1Very high93.4Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-59.5-45.2178.9-170.666.2000111.7T36 A39 A40 N44 L45 L50 I51 V52 C80 F83 L84T36-L48 HydrophobicContact CG2-CD1 3.76Å; A39-L48 HydrophobicContact CB-CB 4.07Å; A39-L48 HydrophobicContact CB-CD1 4.07Å; A40-L48 HydrophobicContact CB-CD1 4.25Å; N44-L48 WeakPolarHBondContact O-CB 3.36Å; N44-L48 PolarHBondContact O-N 2.97Å; L45-L48 PolarHBondContact O-N 2.89Å; L48-L50 PolarHBondContact O-N 2.86Å; L48-I51 PolarHBondContact O-N 2.96Å; L48-V52 WeakPolarHBondContact O-CB 3.33Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.5Å; L48-V52 PolarHBondContact O-N 3.37Å; L48-C80 HydrophobicContact CD2-CB 3.78Å; L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.45Å; L48-F83 HydrophobicContact CG-CD1 3.99Å; L48-F83 HydrophobicContact CG-CE1 4.08Å; L48-L84 HydrophobicContact CD1-CD2 4.38Å; L48-L84 HydrophobicContact CD2-CD1 4.23Å; L48-L84 HydrophobicContact CD2-CD2 4.15Å; L48-L84 HydrophobicContact CD2-CG 3.98Å; L48-L84 HydrophobicContact CG-CD2 4.48Å
49R94.9Very high93.2Very high120 Ų12044.2 Ų44.245%0.45323%0.229SC..Hα-helixtrans-59-47175.2-77.5179.3176.6-179.4-0.4112.1L45 D46 A47 S53 F83L45-R49 HydrophobicContact CD2-CG 4.33Å; L45-R49 VanDerWaalsContact CD2-CZ 3.47Å; L45-R49 WeakPolarHBondContact O-CB 3.46Å; L45-R49 WeakPolarHBondContact O-CG 3.33Å; L45-R49 PolarHBondContact O-N 3.04Å; D46-R49 PolarHBondContact O-N 3.25Å; A47-R49 PolarHBondContact O-N 3.33Å; R49-S53 VanDerWaalsContact O-CB 3.29Å; R49-S53 WeakPolarHBondContact O-CB 3.44Å; R49-S53 PolarHBondContact O-N 3.44Å; R49-S53 PolarHBondContact O-OG 3.48Å; R49-F83 HydrophobicContact CB-CE2 4.43Å; R49-F83 HydrophobicContact CB-CZ 4.2Å; R49-F83 HydrophobicContact CG-CD1 4.24Å; R49-F83 HydrophobicContact CG-CD2 3.77Å; R49-F83 HydrophobicContact CG-CE1 4.04Å; R49-F83 HydrophobicContact CG-CE2 3.56Å; R49-F83 HydrophobicContact CG-CG 4.11Å; R49-F83 HydrophobicContact CG-CZ 3.71Å
50L94.2Very high92.9Very high36 Ų3648.8 Ų48.819%0.18825%0.249CC..Hα-helixtrans-65.2-46.5-179-178.464.5000111.5L14 L17 K18 D46 A47 L48 S53 R54L14-L50 HydrophobicContact CB-CD2 4.31Å; L14-L50 HydrophobicContact CD2-CD2 4.35Å; L14-L50 WeakPolarHBondContact O-CD2 3.41Å; L17-L50 HydrophobicContact CB-CD2 3.61Å; L17-L50 HydrophobicContact CB-CG 4.43Å; K18-L50 HydrophobicContact CG-CD1 4.21Å; K18-L50 HydrophobicContact CG-CD2 3.85Å; D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 3.48Å; A47-L50 PolarHBondContact O-N 2.93Å; L48-L50 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-N 3.01Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.35Å
51I93.4Very high92.8Very high1 Ų149.9 Ų49.91%0.00526%0.257CS..Hα-helixtrans-60.6-49.1-179.8-69.2168.3000110.7A9 L17 L25 P35 T36 A39 A47 L48 S53 R54 G55 G56A9-I51 HydrophobicContact CB-CD1 3.64Å; L17-I51 HydrophobicContact CD1-CD1 4.09Å; L17-I51 HydrophobicContact CD1-CG1 4.17Å; L17-I51 HydrophobicContact CD2-CD1 4.03Å; L17-I51 HydrophobicContact CD2-CG1 4.01Å; L25-I51 HydrophobicContact CB-CG2 4.31Å; L25-I51 HydrophobicContact CD1-CG2 4.21Å; L25-I51 HydrophobicContact CD2-CB 4.44Å; L25-I51 HydrophobicContact CD2-CG1 3.98Å; L25-I51 HydrophobicContact CD2-CG2 4.02Å; L25-I51 HydrophobicContact CG-CG2 4.4Å; P35-I51 HydrophobicContact CB-CD1 4.19Å; T36-I51 HydrophobicContact CG2-CG2 4.38Å; T36-I51 VanDerWaalsContact OG1-CG2 3.26Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.49Å; A39-I51 HydrophobicContact CB-CD1 4.05Å; A47-I51 WeakPolarHBondContact O-CB 3.46Å; A47-I51 WeakPolarHBondContact O-CD1 3.33Å; A47-I51 WeakPolarHBondContact O-CG1 3.38Å; A47-I51 PolarHBondContact O-N 3.39Å; L48-I51 PolarHBondContact O-N 2.96Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.15Å; I51-R54 CarbonylContact O-C 3.6Å; I51-R54 PolarHBondContact O-N 3.31Å; I51-R54 VanDerWaalsContact O-N 3.11Å; I51-G55 PolarHBondContact O-N 3.1Å; I51-G56 PolarHBondContact O-N 3.41Å
52V93.1Very high92.6Very high6 Ų645.6 Ų45.64%0.03624%0.241CC..Hα-helixtrans-63.7-40.9179172.20000110.9T36 L48 R54 G55 P58 F83 F87T36-V52 HydrophobicContact CG2-CG2 4.18Å; L48-V52 WeakPolarHBondContact O-CB 3.33Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.5Å; L48-V52 PolarHBondContact O-N 3.37Å; V52-R54 PolarHBondContact O-N 3.19Å; V52-G55 PolarHBondContact O-N 3.01Å; V52-P58 HydrophobicContact CG2-CB 4.5Å; V52-F83 HydrophobicContact CB-CE1 4.2Å; V52-F83 HydrophobicContact CB-CZ 4.23Å; V52-F83 HydrophobicContact CG1-CE1 4.5Å; V52-F83 HydrophobicContact CG1-CZ 4.29Å; V52-F83 HydrophobicContact CG2-CE1 4.12Å; V52-F87 HydrophobicContact CG1-CD1 3.78Å; V52-F87 HydrophobicContact CG1-CD2 3.51Å; V52-F87 HydrophobicContact CG1-CE1 3.49Å; V52-F87 VanDerWaalsContact CG1-CE1 3.49Å; V52-F87 HydrophobicContact CG1-CE2 3.21Å; V52-F87 HydrophobicContact CG1-CG 3.79Å; V52-F87 HydrophobicContact CG1-CZ 3.19Å
53S92.1Very high92.3Very high94 Ų9446.4 Ų46.466%0.65725%0.246SC*.Hα-helixtrans-62.9-25.9175.6-580000113.3R49 L50 I51 G55R49-S53 VanDerWaalsContact O-CB 3.29Å; R49-S53 WeakPolarHBondContact O-CB 3.44Å; R49-S53 PolarHBondContact O-N 3.44Å; R49-S53 PolarHBondContact O-OG 3.48Å; L50-S53 PolarHBondContact O-N 3.01Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-S53 PolarHBondContact O-N 3.15Å; S53-G55 VanDerWaalsContact C-N 3.34Å
54R90.9Very high92.1Very high112 Ų11252 Ų5242%0.42326%0.26SS..THydrogen-bonded Turntrans-91.36.8176.5-68.1-60-167.892.33.1113.6K18 L25 L50 I51 V52K18-R54 PolarHBondContact O-NH1 3.02Å; K18-R54 PolarHBondContact O-NH2 3.49Å; L25-R54 HydrophobicContact CD1-CB 3.52Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.35Å; I51-R54 CarbonylContact O-C 3.6Å; I51-R54 PolarHBondContact O-N 3.31Å; I51-R54 VanDerWaalsContact O-N 3.11Å; V52-R54 PolarHBondContact O-N 3.19Å
55G89.1Confident91.9Very high22 Ų2249.9 Ų49.923%0.22725%0.249CC..THydrogen-bonded Turntrans9122.5176.100000114.5K22 N26 I51 V52 S53K22-G55 VanDerWaalsContact CE-O 3.31Å; K22-G55 WeakPolarHBondContact CE-O 3.24Å; K22-G55 WeakPolarHBondContact CG-O 3.38Å; N26-G55 PolarHBondContact ND2-O 3.39Å; I51-G55 PolarHBondContact O-N 3.1Å; V52-G55 PolarHBondContact O-N 3.01Å; S53-G55 VanDerWaalsContact C-N 3.34Å
56G89.8Confident91.8Very high2 Ų249.2 Ų49.22%0.02125%0.246CC..  trans-66.3130.6162.600000110.4I51 P58I51-G56 PolarHBondContact O-N 3.41Å; G56-P58 WeakPolarHBondContact O-CD 3.34Å
57D90.1Very high91.8Very high70 Ų7044.7 Ų44.737%0.37422%0.222SC..  trans-79.6118-175.8-66.2-25000110.1N26 D59 K60N26-D57 WeakPolarHBondContact OD1-CB 3.27Å; N26-D57 PolarHBondContact OD1-N 3.17Å; D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 2.95Å; D57-K60 HydrophobicContact CB-CB 4.11Å; D57-K60 PolarHBondContact O-N 3.26Å
58P89.4Confident91.8Very high17 Ų1744.7 Ų44.711%0.1122%0.221CC..THydrogen-bonded Turntrans-79.2-10.6-177.434.3-39000113.6V52 G56 P68 L84 F87V52-P58 HydrophobicContact CG2-CB 4.5Å; G56-P58 WeakPolarHBondContact O-CD 3.34Å; P58-P68 WeakPolarHBondContact O-CD 3.17Å; P58-P68 VanDerWaalsContact O-CG 3.29Å; P58-P68 WeakPolarHBondContact O-CG 3.4Å; P58-L84 HydrophobicContact CB-CD2 4.01Å; P58-F87 HydrophobicContact CB-CD1 4.36Å; P58-F87 HydrophobicContact CG-CD1 3.72Å; P58-F87 HydrophobicContact CG-CE1 3.73Å
59D88.8Confident91.8Very high77 Ų7744.8 Ų44.841%0.41222%0.222SC..THydrogen-bonded Turntrans-96.4-5.3177.6-73.4-27.2000112.5D57 C61D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 2.95Å; D59-C61 PolarHBondContact O-N 3.48Å
60K89.9Confident91.9Very high95 Ų9539.1 Ų39.141%0.41320%0.201SC..  trans-71.1127.9-178-170.472.8176.2-162.50110.2T34 D57 P68T34-K60 HydrophobicContact CG2-CG 3.86Å; D57-K60 HydrophobicContact CB-CB 4.11Å; D57-K60 PolarHBondContact O-N 3.26Å; K60-P68 VanDerWaalsContact O-CD 3.31Å; K60-P68 WeakPolarHBondContact O-CD 3.43Å
61C92.1Very high91.9Very high24 Ų2438 Ų3816%0.16220%0.195CC..  trans-105.3162.3-177.463.20000113.7D59 N66 T67 R146D59-C61 PolarHBondContact O-N 3.48Å; C61-N66 CarbonylContact C-O 3.58Å; C61-N66 WeakPolarHBondContact CA-O 3.33Å; C61-N66 VanDerWaalsContact CB-O 3.28Å; C61-N66 WeakPolarHBondContact CB-O 3.45Å; C61-T67 HydrophobicContact CB-CG2 4.22Å; C61-R146 VanDerWaalsContact SG-CD 3.5Å; C61-R146 PolarHBondContact SG-NE 3.32Å
62D91.9Very high92.1Very high10 Ų1037.9 Ų37.95%0.05319%0.194CC..  trans-76.7-174171.868.812.2000112.6M33 L37 W64 G65 N66M33-D62 HydrophobicContact CG-CB 4.44Å; M33-D62 HydrophobicContact SD-CB 3.69Å; L37-D62 HydrophobicContact CD1-CB 4.22Å; D62-W64 HydrophobicContact CB-CE3 4.45Å; D62-W64 PolarHBondContact O-N 2.92Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.48Å; D62-W64 PolarHBondContact OD1-N 3.27Å; D62-G65 PolarHBondContact O-N 2.86Å; D62-G65 VanDerWaalsContact O-N 3.14Å; D62-G65 PolarHBondContact OD1-N 3.4Å; D62-N66 PolarHBondContact N-O 3.45Å; D62-N66 PolarHBondContact OD1-N 3.46Å; D62-N66 WeakPolarHBondContact OD2-CB 3.3Å; D62-N66 PolarHBondContact OD2-ND2 3.39Å
63I89.1Confident92.2Very high89 Ų8937.6 Ų37.646%0.45619%0.193SC..THydrogen-bonded Turntrans-64.8-23.3177.862.4173.4000113.9D31 G65 N96D31-I63 WeakPolarHBondContact O-CG1 3.36Å; D31-I63 WeakPolarHBondContact O-CG2 3.44Å; D31-I63 PolarHBondContact O-N 2.9Å; I63-G65 VanDerWaalsContact C-N 3.33Å; I63-N96 PolarHBondContact O-ND2 3.22Å; I63-N96 VanDerWaalsContact O-ND2 3.08Å
64W89.2Confident92.4Very high139 Ų13933.5 Ų33.553%0.52717%0.165SC..THydrogen-bonded Turntrans-90.4-0.6177.7-58.9-74.2000112.3D31 D62 N66 N96D31-W64 HydrophobicContact CB-CH2 4.43Å; D31-W64 HydrophobicContact CB-CZ3 4.45Å; D62-W64 HydrophobicContact CB-CE3 4.45Å; D62-W64 PolarHBondContact O-N 2.92Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.48Å; D62-W64 PolarHBondContact OD1-N 3.27Å; W64-N66 VanDerWaalsContact C-N 3.32Å; W64-N96 VanDerWaalsContact C-CG 3.4Å; W64-N96 WeakPolarHBondContact CA-ND2 3.42Å; W64-N96 VanDerWaalsContact O-CB 3.24Å; W64-N96 WeakPolarHBondContact O-CB 3.36Å; W64-N96 PolarHBondContact O-N 2.74Å; W64-N96 PolarHBondContact O-ND2 3.14Å
65G90.9Very high92.6Very high0 Ų030.6 Ų30.60%016%0.157CC..  trans836.1-179.400000113.8D62 I63 T67D62-G65 PolarHBondContact O-N 2.86Å; D62-G65 VanDerWaalsContact O-N 3.14Å; D62-G65 PolarHBondContact OD1-N 3.4Å; I63-G65 VanDerWaalsContact C-N 3.33Å; G65-T67 PolarHBondContact O-N 3.48Å
66N93.9Very high92.9Very high19 Ų1930.8 Ų30.810%0.10216%0.159CC..  trans-71123.9176.4-55.5-59.1000109.8L37 C61 D62 W64 H70 L71L37-N66 WeakPolarHBondContact CD2-O 3.41Å; C61-N66 CarbonylContact C-O 3.58Å; C61-N66 WeakPolarHBondContact CA-O 3.33Å; C61-N66 VanDerWaalsContact CB-O 3.28Å; C61-N66 WeakPolarHBondContact CB-O 3.45Å; D62-N66 PolarHBondContact N-O 3.45Å; D62-N66 PolarHBondContact OD1-N 3.46Å; D62-N66 WeakPolarHBondContact OD2-CB 3.3Å; D62-N66 PolarHBondContact OD2-ND2 3.39Å; W64-N66 VanDerWaalsContact C-N 3.32Å; N66-H70 HydrophobicContact CB-CB 3.98Å; N66-L71 HydrophobicContact CB-CD2 3.74Å; N66-L71 HydrophobicContact CB-CG 4.18Å
67T94.8Very high93.2Very high5 Ų533.4 Ų33.43%0.03117%0.171CC..  trans-82165.7168.565.70000110.2C61 G65 L69 H70 L71 C93C61-T67 HydrophobicContact CB-CG2 4.22Å; G65-T67 PolarHBondContact O-N 3.48Å; T67-L69 PolarHBondContact O-N 2.71Å; T67-L69 PolarHBondContact OG1-N 3.03Å; T67-H70 PolarHBondContact N-ND1 2.93Å; T67-H70 WeakPolarHBondContact O-CB 3.41Å; T67-H70 PolarHBondContact O-N 2.91Å; T67-H70 PolarHBondContact OG1-N 3.21Å; T67-H70 PolarHBondContact OG1-ND1 3.45Å; T67-L71 PolarHBondContact O-N 2.83Å; T67-L71 VanDerWaalsContact O-N 3.12Å; T67-C93 HydrophobicContact CG2-CB 4.03Å; T67-C93 PolarHBondContact OG1-SG 3.16Å
68P95.3Very high93.4Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-51.9-31.5172.1-28.736.6000112.8T36 L37 A40 P58 K60 L71 A72 L84T36-P68 HydrophobicContact CG2-CG 4.14Å; L37-P68 HydrophobicContact CD2-CG 3.88Å; L37-P68 HydrophobicContact CG-CG 4.15Å; A40-P68 HydrophobicContact CB-CB 3.8Å; A40-P68 WeakPolarHBondContact CB-O 3.29Å; P58-P68 WeakPolarHBondContact O-CD 3.17Å; P58-P68 VanDerWaalsContact O-CG 3.29Å; P58-P68 WeakPolarHBondContact O-CG 3.4Å; K60-P68 VanDerWaalsContact O-CD 3.31Å; K60-P68 WeakPolarHBondContact O-CD 3.43Å; P68-L71 PolarHBondContact O-N 3.23Å; P68-A72 WeakPolarHBondContact O-CB 3.28Å; P68-A72 PolarHBondContact O-N 2.94Å; P68-L84 HydrophobicContact CB-CD1 3.85Å; P68-L84 HydrophobicContact CB-CD2 4.21Å
69L95.8Very high93.7Very high3 Ų337.1 Ų37.12%0.01619%0.189CC..Hα-helixtrans-68.3-40.7176.6-161.566.8000112.2T67 A73 L81 L84 I85 P101T67-L69 PolarHBondContact O-N 2.71Å; T67-L69 PolarHBondContact OG1-N 3.03Å; L69-A73 WeakPolarHBondContact O-CB 3.41Å; L69-A73 PolarHBondContact O-N 3.17Å; L69-L81 HydrophobicContact CD1-CD1 4.3Å; L69-L81 HydrophobicContact CD1-CG 3.87Å; L69-L84 HydrophobicContact CD1-CB 3.9Å; L69-L84 HydrophobicContact CD1-CD1 4.22Å; L69-I85 HydrophobicContact CD1-CD1 4.2Å; L69-I85 HydrophobicContact CD1-CG1 3.92Å; L69-I85 HydrophobicContact CD2-CG1 4.47Å; L69-P101 HydrophobicContact CB-CG 4.17Å; L69-P101 HydrophobicContact CD2-CB 4.29Å; L69-P101 HydrophobicContact CD2-CG 3.85Å; L69-P101 HydrophobicContact CG-CB 4.03Å; L69-P101 HydrophobicContact CG-CG 3.93Å
70H95.8Very high94.1Very high0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-61.8-45.6173-69.789.5000111.3N66 T67 A73 A74 C93 H99 P101N66-H70 HydrophobicContact CB-CB 3.98Å; T67-H70 PolarHBondContact N-ND1 2.93Å; T67-H70 WeakPolarHBondContact O-CB 3.41Å; T67-H70 PolarHBondContact O-N 2.91Å; T67-H70 PolarHBondContact OG1-N 3.21Å; T67-H70 PolarHBondContact OG1-ND1 3.45Å; H70-A73 PolarHBondContact O-N 3.4Å; H70-A74 VanDerWaalsContact O-CB 3.23Å; H70-A74 WeakPolarHBondContact O-CB 3.48Å; H70-A74 PolarHBondContact O-N 2.96Å; H70-C93 PolarHBondContact CE1-O 3.47Å; H70-C93 PolarHBondContact CE1-SG 2.94Å; H70-C93 PolarHBondContact NE2-O 3.45Å; H70-H99 PolarHBondContact NE2-O 3.01Å; H70-P101 WeakPolarHBondContact NE2-CD 3.41Å
71L95.3Very high94.3Very high12 Ų1229 Ų296%0.06315%0.15CC..Hα-helixtrans-66.9-43.2-178.1-60.2-174.4000112M33 L37 Y41 N66 T67 P68 A73 A74 N75M33-L71 HydrophobicContact CE-CD1 3.79Å; M33-L71 HydrophobicContact SD-CD1 4.19Å; L37-L71 HydrophobicContact CB-CD1 3.92Å; L37-L71 HydrophobicContact CD2-CD1 3.47Å; L37-L71 VanDerWaalsContact CD2-CD1 3.47Å; L37-L71 HydrophobicContact CD2-CG 4.21Å; L37-L71 HydrophobicContact CG-CD1 4.33Å; Y41-L71 HydrophobicContact CD2-CB 4.43Å; Y41-L71 HydrophobicContact CD2-CD1 4.41Å; Y41-L71 HydrophobicContact CD2-CD2 4.24Å; N66-L71 HydrophobicContact CB-CD2 3.74Å; N66-L71 HydrophobicContact CB-CG 4.18Å; T67-L71 PolarHBondContact O-N 2.83Å; T67-L71 VanDerWaalsContact O-N 3.12Å; P68-L71 PolarHBondContact O-N 3.23Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.26Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-N75 PolarHBondContact O-N 3.4Å; L71-N75 VanDerWaalsContact O-N 3.14Å
72A96.1Very high94.5Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-62.5-39174.900000111.8A40 P68 G76 H77 C80 L81 L84A40-A72 HydrophobicContact CB-CB 4.49Å; P68-A72 WeakPolarHBondContact O-CB 3.28Å; P68-A72 PolarHBondContact O-N 2.94Å; A72-G76 PolarHBondContact O-N 3.3Å; A72-G76 VanDerWaalsContact O-N 3.14Å; A72-H77 HydrophobicContact CB-CB 4.49Å; A72-H77 PolarHBondContact O-N 3.03Å; A72-C80 HydrophobicContact CB-CB 4.11Å; A72-L81 HydrophobicContact CB-CB 4.27Å; A72-L84 HydrophobicContact CB-CD1 4.38Å
73A96.3Very high94.7Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-68.7-44.4177.700000112.3L69 H70 L71 N75 G76 L81 P101 A105 H110 L117L69-A73 WeakPolarHBondContact O-CB 3.41Å; L69-A73 PolarHBondContact O-N 3.17Å; H70-A73 PolarHBondContact O-N 3.4Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.26Å; A73-N75 VanDerWaalsContact C-N 3.28Å; A73-N75 PolarHBondContact O-N 3.41Å; A73-G76 PolarHBondContact O-N 2.99Å; A73-L81 HydrophobicContact CB-CD1 3.59Å; A73-P101 HydrophobicContact CB-CB 4.07Å; A73-P101 WeakPolarHBondContact CB-O 3.15Å; A73-A105 HydrophobicContact CB-CB 4.08Å; A73-H110 PolarHBondContact O-CD2 3.48Å; A73-L117 HydrophobicContact CB-CD1 4.38Å
74A95.7Very high95Very high8 Ų826.1 Ų26.17%0.06614%0.136CC..Hα-helixtrans-66.8-26.8-17900000113.6H70 L71 M104 K108 H110H70-A74 VanDerWaalsContact O-CB 3.23Å; H70-A74 WeakPolarHBondContact O-CB 3.48Å; H70-A74 PolarHBondContact O-N 2.96Å; L71-A74 PolarHBondContact O-N 3.49Å; A74-M104 HydrophobicContact CB-CB 4.41Å; A74-M104 HydrophobicContact CB-CE 4.08Å; A74-K108 HydrophobicContact CB-CG 4.29Å; A74-K108 WeakPolarHBondContact O-CB 3.32Å; A74-K108 WeakPolarHBondContact O-CG 3.35Å; A74-H110 PolarHBondContact O-CD2 3.36Å; A74-H110 PolarHBondContact O-NE2 2.89Å; A74-H110 VanDerWaalsContact O-NE2 3.09Å
75N95.3Very high95.2Very high51 Ų5120.4 Ų20.427%0.27312%0.115SC..THydrogen-bonded Turntrans-102.72.5177.2-66.5-24.7000113.4Y41 L71 A73 H77Y41-N75 WeakPolarHBondContact CD2-ND2 3.39Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.34Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.28Å; Y41-N75 PolarHBondContact O-ND2 3.48Å; L71-N75 PolarHBondContact O-N 3.4Å; L71-N75 VanDerWaalsContact O-N 3.14Å; A73-N75 VanDerWaalsContact C-N 3.28Å; A73-N75 PolarHBondContact O-N 3.41Å; N75-H77 PolarHBondContact O-N 2.67Å
76G94.9Very high95.3Very high25 Ų2524.9 Ų24.926%0.25815%0.147SC..THydrogen-bonded Turntrans74.921174.500000115A72 A73 L78 H110A72-G76 PolarHBondContact O-N 3.3Å; A72-G76 VanDerWaalsContact O-N 3.14Å; A73-G76 PolarHBondContact O-N 2.99Å; G76-L78 VanDerWaalsContact C-N 3.35Å; G76-L78 PolarHBondContact O-N 2.87Å; G76-H110 PolarHBondContact N-CD2 3.46Å; G76-H110 VanDerWaalsContact N-CD2 3.27Å; G76-H110 PolarHBondContact N-NE2 3.48Å
77H96.1Very high95.2Very high58 Ų5829 Ų2927%0.26916%0.164SC..  trans-82.873.9-178.2-62.4-48.1000112.2A40 Y41 G43 A72 N75 N79 C80 L81A40-H77 PolarHBondContact O-CD2 2.82Å; Y41-H77 PolarHBondContact O-CD2 3.47Å; Y41-H77 PolarHBondContact O-NE2 3.24Å; Y41-H77 VanDerWaalsContact O-NE2 3.14Å; G43-H77 WeakPolarHBondContact CA-CD2 3.17Å; G43-H77 PolarHBondContact N-CD2 3.3Å; G43-H77 VanDerWaalsContact N-CD2 3.29Å; G43-H77 PolarHBondContact N-NE2 3.2Å; A72-H77 HydrophobicContact CB-CB 4.49Å; A72-H77 PolarHBondContact O-N 3.03Å; N75-H77 PolarHBondContact O-N 2.67Å; H77-N79 PolarHBondContact O-N 2.77Å; H77-N79 VanDerWaalsContact O-N 3.15Å; H77-C80 HydrophobicContact CB-CB 4.12Å; H77-C80 PolarHBondContact O-N 3.31Å; H77-L81 WeakPolarHBondContact O-CB 3.45Å; H77-L81 PolarHBondContact O-N 3.45Å
78L95.3Very high94.9Very high56 Ų5631.7 Ų31.729%0.29319%0.192SC..Hα-helixtrans-52.2-39.2-177.7-178.664.4000113.6G76 L81 S82 Y116G76-L78 VanDerWaalsContact C-N 3.35Å; G76-L78 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 2.9Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-OG 3.48Å; L78-Y116 HydrophobicContact CD1-CD1 3.89Å; L78-Y116 HydrophobicContact CD1-CD2 4.16Å; L78-Y116 HydrophobicContact CD1-CG 3.59Å
79N96.1Very high94.8Very high109 Ų10932 Ų3258%0.58320%0.195SC*.Hα-helixtrans-67-39.6-179.3-66.9-21.8000112.5L45 H77 L81 S82 F83L45-N79 HydrophobicContact CD1-CB 3.62Å; L45-N79 WeakPolarHBondContact CD1-O 3.47Å; H77-N79 PolarHBondContact O-N 2.77Å; H77-N79 VanDerWaalsContact O-N 3.15Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-S82 PolarHBondContact O-OG 2.9Å; N79-F83 PolarHBondContact O-N 2.87Å
80C95.7Very high94.6Very high1 Ų132.8 Ų32.81%0.00720%0.199CC..Hα-helixtrans-69.1-39.3174.7-71.20000110.8G43 L48 A72 H77 F83 L84G43-C80 VanDerWaalsContact CA-SG 3.58Å; G43-C80 PolarHBondContact O-SG 3.19Å; L48-C80 HydrophobicContact CD2-CB 3.78Å; A72-C80 HydrophobicContact CB-CB 4.11Å; H77-C80 HydrophobicContact CB-CB 4.12Å; H77-C80 PolarHBondContact O-N 3.31Å; C80-F83 PolarHBondContact O-N 3.23Å; C80-L84 WeakPolarHBondContact O-CG 3.09Å; C80-L84 PolarHBondContact O-N 2.87Å
81L95.1Very high94.5Very high0 Ų033.2 Ų33.20%020%0.201CC..Hα-helixtrans-64.5-44.7-179.9-168.4134.1000112.1L69 A72 A73 H77 L78 N79 F83 L84 I85 Y116 L117L69-L81 HydrophobicContact CD1-CD1 4.3Å; L69-L81 HydrophobicContact CD1-CG 3.87Å; A72-L81 HydrophobicContact CB-CB 4.27Å; A73-L81 HydrophobicContact CB-CD1 3.59Å; H77-L81 WeakPolarHBondContact O-CB 3.45Å; H77-L81 PolarHBondContact O-N 3.45Å; L78-L81 PolarHBondContact O-N 2.9Å; N79-L81 VanDerWaalsContact C-N 3.34Å; L81-F83 PolarHBondContact O-N 3.43Å; L81-L84 PolarHBondContact O-N 3.03Å; L81-I85 HydrophobicContact CD2-CD1 3.7Å; L81-I85 HydrophobicContact CG-CD1 4.26Å; L81-I85 WeakPolarHBondContact O-CG1 3.36Å; L81-I85 PolarHBondContact O-N 2.9Å; L81-I85 VanDerWaalsContact O-N 3.09Å; L81-Y116 HydrophobicContact CD2-CD1 3.36Å; L81-Y116 HydrophobicContact CD2-CE1 3.69Å; L81-L117 HydrophobicContact CD1-CD1 4.09Å; L81-L117 HydrophobicContact CD1-CD2 4.3Å; L81-L117 HydrophobicContact CD1-CG 4.27Å; L81-L117 HydrophobicContact CD2-CD2 3.74Å; L81-L117 HydrophobicContact CD2-CG 3.82Å; L81-L117 HydrophobicContact CG-CD2 4.33Å
82S95.6Very high94.4Very high36 Ų3634 Ų3425%0.25220%0.203SC..Hα-helixtrans-63.9-39.5174.9660000112.4L78 N79 S86 Y116L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-OG 3.48Å; N79-S82 PolarHBondContact O-OG 2.9Å; S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 3.31Å; S82-S86 PolarHBondContact O-OG 2.89Å; S82-Y116 WeakPolarHBondContact CA-OH 3.26Å; S82-Y116 VanDerWaalsContact CB-OH 3.29Å; S82-Y116 WeakPolarHBondContact CB-OH 3.39Å
83F96Very high94.3Very high27 Ų2734.3 Ų34.312%0.11821%0.206CC..Hα-helixtrans-61.7-50.2174.8172.3-106.5000112L48 R49 V52 N79 C80 L81 I85 S86 F87L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.45Å; L48-F83 HydrophobicContact CG-CD1 3.99Å; L48-F83 HydrophobicContact CG-CE1 4.08Å; R49-F83 HydrophobicContact CB-CE2 4.43Å; R49-F83 HydrophobicContact CB-CZ 4.2Å; R49-F83 HydrophobicContact CG-CD1 4.24Å; R49-F83 HydrophobicContact CG-CD2 3.77Å; R49-F83 HydrophobicContact CG-CE1 4.04Å; R49-F83 HydrophobicContact CG-CE2 3.56Å; R49-F83 HydrophobicContact CG-CG 4.11Å; R49-F83 HydrophobicContact CG-CZ 3.71Å; V52-F83 HydrophobicContact CB-CE1 4.2Å; V52-F83 HydrophobicContact CB-CZ 4.23Å; V52-F83 HydrophobicContact CG1-CE1 4.5Å; V52-F83 HydrophobicContact CG1-CZ 4.29Å; V52-F83 HydrophobicContact CG2-CE1 4.12Å; N79-F83 PolarHBondContact O-N 2.87Å; C80-F83 PolarHBondContact O-N 3.23Å; L81-F83 PolarHBondContact O-N 3.43Å; F83-I85 VanDerWaalsContact C-N 3.3Å; F83-I85 PolarHBondContact O-N 3.49Å; F83-S86 WeakPolarHBondContact CA-OG 3.36Å; F83-S86 PolarHBondContact O-N 3.48Å; F83-S86 VanDerWaalsContact O-N 3.16Å; F83-S86 PolarHBondContact O-OG 2.73Å; F83-F87 PolarHBondContact O-N 3.2Å
84L95Very high94.2Very high0 Ų035.4 Ų35.40%021%0.211CC..Hα-helixtrans-59.8-41.1-179.8-71.8167.8000112.1L48 P58 P68 L69 A72 C80 L81 F87 G88 A89L48-L84 HydrophobicContact CD1-CD2 4.38Å; L48-L84 HydrophobicContact CD2-CD1 4.23Å; L48-L84 HydrophobicContact CD2-CD2 4.15Å; L48-L84 HydrophobicContact CD2-CG 3.98Å; L48-L84 HydrophobicContact CG-CD2 4.48Å; P58-L84 HydrophobicContact CB-CD2 4.01Å; P68-L84 HydrophobicContact CB-CD1 3.85Å; P68-L84 HydrophobicContact CB-CD2 4.21Å; L69-L84 HydrophobicContact CD1-CB 3.9Å; L69-L84 HydrophobicContact CD1-CD1 4.22Å; A72-L84 HydrophobicContact CB-CD1 4.38Å; C80-L84 WeakPolarHBondContact O-CG 3.09Å; C80-L84 PolarHBondContact O-N 2.87Å; L81-L84 PolarHBondContact O-N 3.03Å; L84-F87 PolarHBondContact O-N 2.93Å; L84-G88 PolarHBondContact O-N 2.94Å; L84-A89 HydrophobicContact CB-CB 4.19Å; L84-A89 WeakPolarHBondContact O-CB 3.33Å; L84-A89 PolarHBondContact O-N 2.96Å
85I94Very high94.1Very high18 Ų1835.3 Ų35.39%0.09221%0.21CC..Hα-helixtrans-65.8-43.6176.2-73.1166.9000111.2L69 L81 F83 F87 G88 I91 Y116 L117 I120L69-I85 HydrophobicContact CD1-CD1 4.2Å; L69-I85 HydrophobicContact CD1-CG1 3.92Å; L69-I85 HydrophobicContact CD2-CG1 4.47Å; L81-I85 HydrophobicContact CD2-CD1 3.7Å; L81-I85 HydrophobicContact CG-CD1 4.26Å; L81-I85 WeakPolarHBondContact O-CG1 3.36Å; L81-I85 PolarHBondContact O-N 2.9Å; L81-I85 VanDerWaalsContact O-N 3.09Å; F83-I85 VanDerWaalsContact C-N 3.3Å; F83-I85 PolarHBondContact O-N 3.49Å; I85-F87 PolarHBondContact O-N 2.87Å; I85-G88 PolarHBondContact O-N 3.07Å; I85-I91 HydrophobicContact CD1-CD1 4.03Å; I85-I91 HydrophobicContact CD1-CG1 4.41Å; I85-I91 HydrophobicContact CG1-CD1 3.97Å; I85-I91 HydrophobicContact CG1-CG1 4.05Å; I85-I91 HydrophobicContact CG2-CD1 3.93Å; I85-Y116 HydrophobicContact CD1-CD1 4.4Å; I85-Y116 HydrophobicContact CD1-CE1 3.81Å; I85-L117 HydrophobicContact CD1-CD2 3.72Å; I85-I120 HydrophobicContact CG2-CG2 3.97Å
86S93.1Very high93.9Very high94 Ų9434.6 Ų34.666%0.65721%0.206SC*.Hα-helixtrans-63.5-28.8176.473.30000112.9S82 F83 G88S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 3.31Å; S82-S86 PolarHBondContact O-OG 2.89Å; F83-S86 WeakPolarHBondContact CA-OG 3.36Å; F83-S86 PolarHBondContact O-N 3.48Å; F83-S86 VanDerWaalsContact O-N 3.16Å; F83-S86 PolarHBondContact O-OG 2.73Å; S86-G88 VanDerWaalsContact C-N 3.25Å; S86-G88 PolarHBondContact O-N 2.58Å
87F91.3Very high93.7Very high106 Ų10639.2 Ų39.247%0.46523%0.225SC..THydrogen-bonded Turntrans-76.3-12.8175.1-167.1-94.7000112.9V52 P58 F83 L84 I85V52-F87 HydrophobicContact CG1-CD1 3.78Å; V52-F87 HydrophobicContact CG1-CD2 3.51Å; V52-F87 HydrophobicContact CG1-CE1 3.49Å; V52-F87 VanDerWaalsContact CG1-CE1 3.49Å; V52-F87 HydrophobicContact CG1-CE2 3.21Å; V52-F87 HydrophobicContact CG1-CG 3.79Å; V52-F87 HydrophobicContact CG1-CZ 3.19Å; P58-F87 HydrophobicContact CB-CD1 4.36Å; P58-F87 HydrophobicContact CG-CD1 3.72Å; P58-F87 HydrophobicContact CG-CE1 3.73Å; F83-F87 PolarHBondContact O-N 3.2Å; L84-F87 PolarHBondContact O-N 2.93Å; I85-F87 PolarHBondContact O-N 2.87Å
88G89.9Confident93.6Very high61 Ų6141 Ų4163%0.62923%0.23SC*.THydrogen-bonded Turntrans97.619.5178.500000114.8L84 I85 S86L84-G88 PolarHBondContact O-N 2.94Å; I85-G88 PolarHBondContact O-N 3.07Å; S86-G88 VanDerWaalsContact C-N 3.25Å; S86-G88 PolarHBondContact O-N 2.58Å
89A92Very high93.6Very high6 Ų641 Ų415%0.0523%0.228CC..  trans-60143.6171.900000111.2L84 I91L84-A89 HydrophobicContact CB-CB 4.19Å; L84-A89 WeakPolarHBondContact O-CB 3.33Å; L84-A89 PolarHBondContact O-N 2.96Å; A89-I91 PolarHBondContact O-N 3.41Å
90N91.3Very high93.6Very high20 Ų2037.2 Ų37.211%0.10721%0.209CC..  trans-71.3115.3-179.3-176.14.5000111.3W92 C93 L135N90-W92 VanDerWaalsContact C-N 3.31Å; N90-W92 PolarHBondContact O-N 2.68Å; N90-W92 VanDerWaalsContact OD1-CE3 3.25Å; N90-W92 PolarHBondContact OD1-N 3.37Å; N90-C93 HydrophobicContact CB-CB 4.48Å; N90-C93 WeakPolarHBondContact O-CB 3.33Å; N90-C93 PolarHBondContact O-N 3.34Å; N90-C93 PolarHBondContact O-SG 3.36Å; N90-L135 PolarHBondContact ND2-O 3.23Å
91I93.9Very high93.5Very high9 Ų937.2 Ų37.25%0.04621%0.209CC..THydrogen-bonded Turntrans-70.4-29.8-179.4-51.1-170000112.1I85 A89 C93 P101 L117 I120 Q124I85-I91 HydrophobicContact CD1-CD1 4.03Å; I85-I91 HydrophobicContact CD1-CG1 4.41Å; I85-I91 HydrophobicContact CG1-CD1 3.97Å; I85-I91 HydrophobicContact CG1-CG1 4.05Å; I85-I91 HydrophobicContact CG2-CD1 3.93Å; A89-I91 PolarHBondContact O-N 3.41Å; I91-C93 PolarHBondContact O-N 3.49Å; I91-P101 WeakPolarHBondContact O-CD 3.38Å; I91-L117 HydrophobicContact CG2-CD2 3.97Å; I91-I120 HydrophobicContact CD1-CB 4.17Å; I91-I120 HydrophobicContact CD1-CG2 3.28Å; I91-Q124 VanDerWaalsContact CD1-OE1 3.22Å
92W93.6Very high93.6Very high28 Ų2839.5 Ų39.511%0.10622%0.221CC..THydrogen-bonded Turntrans-90.518.5179.2-50-79.2000112.6N90 Q124 V132 L135 K136 A139N90-W92 VanDerWaalsContact C-N 3.31Å; N90-W92 PolarHBondContact O-N 2.68Å; N90-W92 VanDerWaalsContact OD1-CE3 3.25Å; N90-W92 PolarHBondContact OD1-N 3.37Å; W92-Q124 HydrophobicContact CH2-CB 3.73Å; W92-Q124 HydrophobicContact CH2-CG 4.32Å; W92-Q124 HydrophobicContact CZ2-CB 3.91Å; W92-V132 HydrophobicContact CD2-CG1 4.24Å; W92-V132 HydrophobicContact CH2-CB 4.09Å; W92-V132 HydrophobicContact CH2-CG1 4.13Å; W92-V132 HydrophobicContact CH2-CG2 3.45Å; W92-V132 VanDerWaalsContact CH2-CG2 3.45Å; W92-V132 HydrophobicContact CZ2-CB 3.9Å; W92-V132 HydrophobicContact CZ2-CG1 3.49Å; W92-V132 VanDerWaalsContact CZ2-CG1 3.49Å; W92-V132 HydrophobicContact CZ2-CG2 3.38Å; W92-V132 HydrophobicContact CZ3-CG2 4.45Å; W92-L135 HydrophobicContact CE3-CB 3.5Å; W92-L135 VanDerWaalsContact CE3-CB 3.5Å; W92-L135 HydrophobicContact CE3-CD1 3.93Å; W92-L135 HydrophobicContact CE3-CG 4.33Å; W92-L135 HydrophobicContact CH2-CD1 4.26Å; W92-L135 HydrophobicContact CZ3-CB 3.8Å; W92-L135 HydrophobicContact CZ3-CD1 3.32Å; W92-L135 HydrophobicContact CZ3-CG 4.17Å; W92-K136 HydrophobicContact CB-CG 3.81Å; W92-K136 VanDerWaalsContact CD1-CE 3.48Å; W92-K136 HydrophobicContact CD2-CG 4.39Å; W92-K136 HydrophobicContact CG-CG 3.75Å; W92-A139 WeakPolarHBondContact O-CB 3.43Å
93C93.6Very high93.6Very high8 Ų840.9 Ų40.95%0.05423%0.226CC..  trans-58.1150173.757.60000110.7T67 H70 N90 I91 P101T67-C93 HydrophobicContact CG2-CB 4.03Å; T67-C93 PolarHBondContact OG1-SG 3.16Å; H70-C93 PolarHBondContact CE1-O 3.47Å; H70-C93 PolarHBondContact CE1-SG 2.94Å; H70-C93 PolarHBondContact NE2-O 3.45Å; N90-C93 HydrophobicContact CB-CB 4.48Å; N90-C93 WeakPolarHBondContact O-CB 3.33Å; N90-C93 PolarHBondContact O-N 3.34Å; N90-C93 PolarHBondContact O-SG 3.36Å; I91-C93 PolarHBondContact O-N 3.49Å; C93-P101 VanDerWaalsContact O-CD 3.31Å; C93-P101 WeakPolarHBondContact O-CD 3.2Å; C93-P101 WeakPolarHBondContact SG-CG 3.12Å
94L95.2Very high93.5Very high22 Ų2240.8 Ų40.812%0.11523%0.226CC..  trans-124.8136-177.1-62.7172.8000109.8Y98 H99 T100 A139 F140 A143 R146L94-Y98 HydrophobicContact CD1-CD1 4.08Å; L94-H99 WeakPolarHBondContact CA-O 3.5Å; L94-T100 HydrophobicContact CD2-CG2 3.57Å; L94-A139 HydrophobicContact CD1-CB 4.39Å; L94-A139 HydrophobicContact CG-CB 4.2Å; L94-F140 HydrophobicContact CD1-CB 4.41Å; L94-F140 HydrophobicContact CD1-CD2 4.37Å; L94-A143 HydrophobicContact CB-CB 4.05Å; L94-R146 PolarHBondContact O-NH1 3.4Å
95D93.6Very high93.6Very high7 Ų740.8 Ų40.84%0.03723%0.226CC..  trans-73.9-174.6167.774.32.1000111.4D97 Y98 H99D95-D97 PolarHBondContact O-N 3.42Å; D95-D97 VanDerWaalsContact OD1-C 3.27Å; D95-D97 WeakPolarHBondContact OD1-CA 3.05Å; D95-D97 PolarHBondContact OD1-N 3.35Å; D95-Y98 PolarHBondContact O-N 2.87Å; D95-Y98 PolarHBondContact OD1-N 3.38Å; D95-H99 PolarHBondContact N-O 3.07Å; D95-H99 VanDerWaalsContact N-O 3.16Å; D95-H99 IonicContact OD1-CG 2.84Å; D95-H99 PolarHBondContact OD1-N 3.29Å; D95-H99 IonicContact OD1-ND1 2.69Å; D95-H99 IonicContact OD2-CG 2.82Å; D95-H99 IonicContact OD2-ND1 3.83Å; D95-H99 PolarHBondContact OD2-ND1 3.06Å
96N91.1Very high93.7Very high36 Ų3642.4 Ų42.419%0.19324%0.242CC..THydrogen-bonded Turntrans-70.2-17.7178.9-70.4-14.1000113.8I63 W64 I147I63-N96 PolarHBondContact O-ND2 3.22Å; I63-N96 VanDerWaalsContact O-ND2 3.08Å; W64-N96 VanDerWaalsContact C-CG 3.4Å; W64-N96 WeakPolarHBondContact CA-ND2 3.42Å; W64-N96 VanDerWaalsContact O-CB 3.24Å; W64-N96 WeakPolarHBondContact O-CB 3.36Å; W64-N96 PolarHBondContact O-N 2.74Å; W64-N96 PolarHBondContact O-ND2 3.14Å; N96-I147 HydrophobicContact CB-CG1 4.35Å; N96-I147 WeakPolarHBondContact O-CD1 3.47Å
97D90.6Very high93.8Very high121 Ų12143.6 Ų43.665%0.64724%0.239SC*.THydrogen-bonded Turntrans-98.76.8178.1-67-30.1000111.9D95 H99D95-D97 PolarHBondContact O-N 3.42Å; D95-D97 VanDerWaalsContact OD1-C 3.27Å; D95-D97 WeakPolarHBondContact OD1-CA 3.05Å; D95-D97 PolarHBondContact OD1-N 3.35Å; D97-H99 VanDerWaalsContact C-N 3.3Å; D97-H99 VanDerWaalsContact CB-CE1 3.44Å; D97-H99 WeakPolarHBondContact CB-CE1 3.48Å; D97-H99 WeakPolarHBondContact CB-ND1 3.29Å; D97-H99 PolarHBondContact O-N 3.32Å
98Y93.9Very high93.9Very high96 Ų9644.6 Ų44.638%0.37624%0.243SC..  trans63.626.6-176.8-55.7-85.5000114.9L94 D95 F140 A143 I147L94-Y98 HydrophobicContact CD1-CD1 4.08Å; D95-Y98 PolarHBondContact O-N 2.87Å; D95-Y98 PolarHBondContact OD1-N 3.38Å; Y98-F140 HydrophobicContact CD1-CD2 4.12Å; Y98-F140 HydrophobicContact CD1-CE2 4.05Å; Y98-F140 AromaticContact CE1-CD2 3.86Å; Y98-F140 HydrophobicContact CE1-CD2 3.86Å; Y98-F140 AromaticContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CZ 4.27Å; Y98-A143 HydrophobicContact CD1-CB 4.45Å; Y98-A143 HydrophobicContact CE1-CB 4.2Å; Y98-I147 HydrophobicContact CE1-CD1 4.38Å; Y98-I147 HydrophobicContact CE2-CD1 3.79Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.44Å
99H94.9Very high94.1Very high56 Ų5644.1 Ų44.126%0.25924%0.238SC..  trans-80.4143.1167.1-55117.7000110.6H70 L94 D95 D97 D103 M104H70-H99 PolarHBondContact NE2-O 3.01Å; L94-H99 WeakPolarHBondContact CA-O 3.5Å; D95-H99 PolarHBondContact N-O 3.07Å; D95-H99 VanDerWaalsContact N-O 3.16Å; D95-H99 IonicContact OD1-CG 2.84Å; D95-H99 PolarHBondContact OD1-N 3.29Å; D95-H99 IonicContact OD1-ND1 2.69Å; D95-H99 IonicContact OD2-CG 2.82Å; D95-H99 IonicContact OD2-ND1 3.83Å; D95-H99 PolarHBondContact OD2-ND1 3.06Å; D97-H99 VanDerWaalsContact C-N 3.3Å; D97-H99 VanDerWaalsContact CB-CE1 3.44Å; D97-H99 WeakPolarHBondContact CB-CE1 3.48Å; D97-H99 WeakPolarHBondContact CB-ND1 3.29Å; D97-H99 PolarHBondContact O-N 3.32Å; H99-D103 HydrophobicContact CB-CB 4.12Å; H99-M104 HydrophobicContact CB-CG 4.27Å
100T95.3Very high94.3Very high30 Ų3046.8 Ų46.818%0.18425%0.249CC..  trans-86.9164.9168.165.30000110.9L94 L102 D103 M104L94-T100 HydrophobicContact CD2-CG2 3.57Å; T100-L102 PolarHBondContact O-N 2.87Å; T100-L102 PolarHBondContact OG1-N 3.33Å; T100-D103 WeakPolarHBondContact CB-OD2 3.37Å; T100-D103 PolarHBondContact N-OD2 3.47Å; T100-D103 WeakPolarHBondContact O-CB 3.41Å; T100-D103 PolarHBondContact O-N 3.01Å; T100-D103 PolarHBondContact OG1-N 3.14Å; T100-D103 PolarHBondContact OG1-OD2 3.49Å; T100-M104 PolarHBondContact O-N 3.25Å
101P95.4Very high94.5Very high0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-56.2-31.6170.8-25.633.6000113L69 H70 A73 I91 C93 M104 A105 L117L69-P101 HydrophobicContact CB-CG 4.17Å; L69-P101 HydrophobicContact CD2-CB 4.29Å; L69-P101 HydrophobicContact CD2-CG 3.85Å; L69-P101 HydrophobicContact CG-CB 4.03Å; L69-P101 HydrophobicContact CG-CG 3.93Å; H70-P101 WeakPolarHBondContact NE2-CD 3.41Å; A73-P101 HydrophobicContact CB-CB 4.07Å; A73-P101 WeakPolarHBondContact CB-O 3.15Å; I91-P101 WeakPolarHBondContact O-CD 3.38Å; C93-P101 VanDerWaalsContact O-CD 3.31Å; C93-P101 WeakPolarHBondContact O-CD 3.2Å; C93-P101 WeakPolarHBondContact SG-CG 3.12Å; P101-M104 PolarHBondContact O-N 3.27Å; P101-A105 PolarHBondContact O-N 2.88Å; P101-L117 HydrophobicContact CB-CD1 4.32Å
102L96.2Very high94.6Very high48 Ų4856.3 Ų56.325%0.25129%0.294SS..Hα-helixtrans-64.9-46.3175.517965.9000111T100 M104 A105 A106 V114 L117T100-L102 PolarHBondContact O-N 2.87Å; T100-L102 PolarHBondContact OG1-N 3.33Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 2.71Å; L102-A105 PolarHBondContact O-N 3.04Å; L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.01Å; L102-V114 HydrophobicContact CD1-CB 4.2Å; L102-V114 HydrophobicContact CD1-CG1 3.81Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; L102-L117 HydrophobicContact CB-CB 4.49Å; L102-L117 HydrophobicContact CB-CD1 4.21Å; L102-L117 HydrophobicContact CD1-CB 3.76Å; L102-L117 HydrophobicContact CD1-CD1 4.32Å
103D95.5Very high94.7Very high65 Ų6555 Ų5535%0.34829%0.289SS..Hα-helixtrans-61.9-42.9177.6-56.9-43.6000110.6H99 T100 A105 A106 M107H99-D103 HydrophobicContact CB-CB 4.12Å; T100-D103 WeakPolarHBondContact CB-OD2 3.37Å; T100-D103 PolarHBondContact N-OD2 3.47Å; T100-D103 WeakPolarHBondContact O-CB 3.41Å; T100-D103 PolarHBondContact O-N 3.01Å; T100-D103 PolarHBondContact OG1-N 3.14Å; T100-D103 PolarHBondContact OG1-OD2 3.49Å; D103-A105 PolarHBondContact O-N 3.43Å; D103-A106 PolarHBondContact O-N 3.48Å; D103-M107 WeakPolarHBondContact O-CB 3.37Å; D103-M107 VanDerWaalsContact O-CG 3.24Å; D103-M107 WeakPolarHBondContact O-CG 3.32Å; D103-M107 PolarHBondContact O-N 3.38Å
104M94.8Very high94.8Very high25 Ų2555.9 Ų55.912%0.12329%0.294CS..Hα-helixtrans-62.4-43176.7-75.1-67.1-86.300112.8A74 H99 T100 P101 L102 A106 M107 K108A74-M104 HydrophobicContact CB-CB 4.41Å; A74-M104 HydrophobicContact CB-CE 4.08Å; H99-M104 HydrophobicContact CB-CG 4.27Å; T100-M104 PolarHBondContact O-N 3.25Å; P101-M104 PolarHBondContact O-N 3.27Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 2.71Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.23Å; M104-M107 PolarHBondContact O-N 3.5Å; M104-M107 HydrophobicContact SD-SD 4.4Å; M104-K108 VanDerWaalsContact O-CG 3.28Å; M104-K108 WeakPolarHBondContact O-CG 3.29Å; M104-K108 PolarHBondContact O-N 3.05Å; M104-K108 VanDerWaalsContact O-N 3.17Å
105A96Very high94.9Very high0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-62.1-40.6173.900000111.9A73 P101 L102 D103 K108 G109 H110 C113 V114 L117A73-A105 HydrophobicContact CB-CB 4.08Å; P101-A105 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.04Å; D103-A105 PolarHBondContact O-N 3.43Å; A105-K108 PolarHBondContact O-N 3.23Å; A105-G109 PolarHBondContact O-N 3.09Å; A105-G109 VanDerWaalsContact O-N 3.11Å; A105-H110 PolarHBondContact O-N 3.21Å; A105-C113 HydrophobicContact CB-CB 3.98Å; A105-V114 HydrophobicContact CB-CG2 3.75Å; A105-L117 HydrophobicContact CB-CD1 4.48Å
106A96Very high95Very high53 Ų5365.5 Ų65.544%0.43833%0.329SS..Hα-helixtrans-67.2-45.3178.800000111.9L102 D103 M104 K108 G109 V114L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.01Å; D103-A106 PolarHBondContact O-N 3.48Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.23Å; A106-K108 PolarHBondContact O-N 3.19Å; A106-G109 PolarHBondContact O-N 3.09Å; A106-V114 HydrophobicContact CB-CG2 4.02Å
107M95.1Very high95.2Very high119 Ų11963.8 Ų63.859%0.58632%0.32SS*.Hα-helixtrans-59.6-32.1176.9-73.5173.168.100112.8D103 M104D103-M107 WeakPolarHBondContact O-CB 3.37Å; D103-M107 VanDerWaalsContact O-CG 3.24Å; D103-M107 WeakPolarHBondContact O-CG 3.32Å; D103-M107 PolarHBondContact O-N 3.38Å; M104-M107 PolarHBondContact O-N 3.5Å; M104-M107 HydrophobicContact SD-SD 4.4Å
108K94.1Very high95.5Very high127 Ų12762.6 Ų62.655%0.55231%0.313SS*.THydrogen-bonded Turntrans-91.3-5.1178.9-61-66.7-176.6-175.70113.6A74 M104 A105 A106A74-K108 HydrophobicContact CB-CG 4.29Å; A74-K108 WeakPolarHBondContact O-CB 3.32Å; A74-K108 WeakPolarHBondContact O-CG 3.35Å; M104-K108 VanDerWaalsContact O-CG 3.28Å; M104-K108 WeakPolarHBondContact O-CG 3.29Å; M104-K108 PolarHBondContact O-N 3.05Å; M104-K108 VanDerWaalsContact O-N 3.17Å; A105-K108 PolarHBondContact O-N 3.23Å; A106-K108 PolarHBondContact O-N 3.19Å
109G94.6Very high95.6Very high50 Ų5060.2 Ų60.252%0.51531%0.311SS..THydrogen-bonded Turntrans79.318.8177.400000114.9A105 A106 M111A105-G109 PolarHBondContact O-N 3.09Å; A105-G109 VanDerWaalsContact O-N 3.11Å; A106-G109 PolarHBondContact O-N 3.09Å; G109-M111 PolarHBondContact O-N 3.28Å; G109-M111 VanDerWaalsContact O-N 3.08Å
110H96.4Very high95.6Very high63 Ų6358.7 Ų58.729%0.29230%0.304SS..  trans-86.372.3-178.8-64.4-50.4000112.1A73 A74 G76 A105 E112 C113 V114A73-H110 PolarHBondContact O-CD2 3.48Å; A74-H110 PolarHBondContact O-CD2 3.36Å; A74-H110 PolarHBondContact O-NE2 2.89Å; A74-H110 VanDerWaalsContact O-NE2 3.09Å; G76-H110 PolarHBondContact N-CD2 3.46Å; G76-H110 VanDerWaalsContact N-CD2 3.27Å; G76-H110 PolarHBondContact N-NE2 3.48Å; A105-H110 PolarHBondContact O-N 3.21Å; H110-E112 VanDerWaalsContact C-N 3.29Å; H110-E112 PolarHBondContact O-N 3.08Å; H110-C113 HydrophobicContact CB-CB 4.27Å; H110-C113 WeakPolarHBondContact O-CB 3.41Å; H110-C113 PolarHBondContact O-N 3.33Å; H110-V114 PolarHBondContact O-N 3.08Å; H110-V114 VanDerWaalsContact O-N 3.09Å
111M94.7Very high95.5Very high111 Ų11158.1 Ų58.155%0.54730%0.303SS..Hα-helixtrans-58.4-33.2-172.5-63-53.3-62.600114.7G109 C113 V114 R115G109-M111 PolarHBondContact O-N 3.28Å; G109-M111 VanDerWaalsContact O-N 3.08Å; M111-C113 VanDerWaalsContact C-N 3.33Å; M111-C113 PolarHBondContact O-N 3.01Å; M111-V114 PolarHBondContact O-N 2.92Å; M111-R115 VanDerWaalsContact O-CG 3.29Å; M111-R115 WeakPolarHBondContact O-CG 3.3Å; M111-R115 PolarHBondContact O-N 3.34Å
112E95.4Very high95.4Very high118 Ų11860.9 Ų60.955%0.55133%0.325SS*.Hα-helixtrans-63.8-39.7175.8-65.7-55.4127.200111.9H110 R115 Y116H110-E112 VanDerWaalsContact C-N 3.29Å; H110-E112 PolarHBondContact O-N 3.08Å; E112-R115 IonicContact OE1-NH1 3.74Å; E112-Y116 WeakPolarHBondContact O-CB 3.16Å; E112-Y116 PolarHBondContact O-N 2.64Å; E112-Y116 VanDerWaalsContact O-N 3.08Å
113C95.8Very high95.3Very high1 Ų164.3 Ų64.31%0.00734%0.338CS..Hα-helixtrans-69.2-39.7174.6-68.20000111.3A105 H110 M111 Y116 L117A105-C113 HydrophobicContact CB-CB 3.98Å; H110-C113 HydrophobicContact CB-CB 4.27Å; H110-C113 WeakPolarHBondContact O-CB 3.41Å; H110-C113 PolarHBondContact O-N 3.33Å; M111-C113 VanDerWaalsContact C-N 3.33Å; M111-C113 PolarHBondContact O-N 3.01Å; C113-Y116 PolarHBondContact O-N 3.27Å; C113-L117 WeakPolarHBondContact O-CB 3.5Å; C113-L117 WeakPolarHBondContact O-CG 3.4Å; C113-L117 PolarHBondContact O-N 3.23Å
114V96.9Very high95.1Very high25 Ų2563.9 Ų63.915%0.15233%0.334CS..Hα-helixtrans-59-52.6175.9174.50000110.8L102 A105 A106 H110 M111 Y116 L117 D118L102-V114 HydrophobicContact CD1-CB 4.2Å; L102-V114 HydrophobicContact CD1-CG1 3.81Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; A105-V114 HydrophobicContact CB-CG2 3.75Å; A106-V114 HydrophobicContact CB-CG2 4.02Å; H110-V114 PolarHBondContact O-N 3.08Å; H110-V114 VanDerWaalsContact O-N 3.09Å; M111-V114 PolarHBondContact O-N 2.92Å; V114-Y116 VanDerWaalsContact C-N 3.3Å; V114-Y116 PolarHBondContact O-N 3.16Å; V114-L117 PolarHBondContact O-N 3.08Å; V114-D118 VanDerWaalsContact O-CB 3.29Å; V114-D118 WeakPolarHBondContact O-CB 3.34Å; V114-D118 PolarHBondContact O-N 3.49Å
115R96.6Very high94.9Very high166 Ų16665 Ų6563%0.62634%0.344SS*.Hα-helixtrans-60-41.1179.5-69.9176.172.9-173.24.9111.9M111 E112 S119M111-R115 VanDerWaalsContact O-CG 3.29Å; M111-R115 WeakPolarHBondContact O-CG 3.3Å; M111-R115 PolarHBondContact O-N 3.34Å; E112-R115 IonicContact OE1-NH1 3.74Å; R115-S119 WeakPolarHBondContact O-CB 3.43Å; R115-S119 PolarHBondContact O-N 2.98Å
116Y96.4Very high94.8Very high65 Ų6569.6 Ų69.626%0.25538%0.376SS..Hα-helixtrans-65.3-51.6177.8-178.8-98.5000111.6L78 L81 S82 I85 E112 C113 V114 D118 S119 I120L78-Y116 HydrophobicContact CD1-CD1 3.89Å; L78-Y116 HydrophobicContact CD1-CD2 4.16Å; L78-Y116 HydrophobicContact CD1-CG 3.59Å; L81-Y116 HydrophobicContact CD2-CD1 3.36Å; L81-Y116 HydrophobicContact CD2-CE1 3.69Å; S82-Y116 WeakPolarHBondContact CA-OH 3.26Å; S82-Y116 VanDerWaalsContact CB-OH 3.29Å; S82-Y116 WeakPolarHBondContact CB-OH 3.39Å; I85-Y116 HydrophobicContact CD1-CD1 4.4Å; I85-Y116 HydrophobicContact CD1-CE1 3.81Å; E112-Y116 WeakPolarHBondContact O-CB 3.16Å; E112-Y116 PolarHBondContact O-N 2.64Å; E112-Y116 VanDerWaalsContact O-N 3.08Å; C113-Y116 PolarHBondContact O-N 3.27Å; V114-Y116 VanDerWaalsContact C-N 3.3Å; V114-Y116 PolarHBondContact O-N 3.16Å; Y116-D118 VanDerWaalsContact C-N 3.35Å; Y116-D118 PolarHBondContact O-N 3.13Å; Y116-S119 PolarHBondContact O-N 2.92Å; Y116-S119 PolarHBondContact O-OG 3.11Å; Y116-I120 HydrophobicContact CD1-CG1 4.35Å; Y116-I120 HydrophobicContact CE1-CG1 3.97Å; Y116-I120 HydrophobicContact CE2-CD1 4.36Å; Y116-I120 HydrophobicContact CE2-CG1 4.28Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.09Å
117L95.4Very high94.6Very high1 Ų172.9 Ų72.91%0.00539%0.386CS..Hα-helixtrans-59-44.3179.1-78171.5000112.1A73 L81 I85 I91 P101 L102 A105 C113 V114 S119 I120 A121A73-L117 HydrophobicContact CB-CD1 4.38Å; L81-L117 HydrophobicContact CD1-CD1 4.09Å; L81-L117 HydrophobicContact CD1-CD2 4.3Å; L81-L117 HydrophobicContact CD1-CG 4.27Å; L81-L117 HydrophobicContact CD2-CD2 3.74Å; L81-L117 HydrophobicContact CD2-CG 3.82Å; L81-L117 HydrophobicContact CG-CD2 4.33Å; I85-L117 HydrophobicContact CD1-CD2 3.72Å; I91-L117 HydrophobicContact CG2-CD2 3.97Å; P101-L117 HydrophobicContact CB-CD1 4.32Å; L102-L117 HydrophobicContact CB-CB 4.49Å; L102-L117 HydrophobicContact CB-CD1 4.21Å; L102-L117 HydrophobicContact CD1-CB 3.76Å; L102-L117 HydrophobicContact CD1-CD1 4.32Å; A105-L117 HydrophobicContact CB-CD1 4.48Å; C113-L117 WeakPolarHBondContact O-CB 3.5Å; C113-L117 WeakPolarHBondContact O-CG 3.4Å; C113-L117 PolarHBondContact O-N 3.23Å; V114-L117 PolarHBondContact O-N 3.08Å; L117-S119 PolarHBondContact O-N 3.32Å; L117-I120 PolarHBondContact O-N 3.23Å; L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 2.91Å
118D95.7Very high94.5Very high96 Ų9671.7 Ų71.751%0.51338%0.382SS..Hα-helixtrans-62.3-43.6177.5-170.240.5000111.4V114 Y116 I120 A121 A122V114-D118 VanDerWaalsContact O-CB 3.29Å; V114-D118 WeakPolarHBondContact O-CB 3.34Å; V114-D118 PolarHBondContact O-N 3.49Å; Y116-D118 VanDerWaalsContact C-N 3.35Å; Y116-D118 PolarHBondContact O-N 3.13Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.18Å; D118-A121 PolarHBondContact O-N 3.4Å; D118-A122 WeakPolarHBondContact O-CB 3.21Å; D118-A122 PolarHBondContact O-N 3.12Å
119S95.7Very high94.5Very high46 Ų4669.8 Ų69.832%0.32238%0.383SS..Hα-helixtrans-61.3-37.3176.181.70000113.1R115 Y116 L117 K123R115-S119 WeakPolarHBondContact O-CB 3.43Å; R115-S119 PolarHBondContact O-N 2.98Å; Y116-S119 PolarHBondContact O-N 2.92Å; Y116-S119 PolarHBondContact O-OG 3.11Å; L117-S119 PolarHBondContact O-N 3.32Å; S119-K123 WeakPolarHBondContact O-CD 3.44Å; S119-K123 WeakPolarHBondContact O-CG 3.19Å; S119-K123 PolarHBondContact O-N 3.03Å
120I94.9Very high94.4Very high24 Ų2476 Ų7612%0.12340%0.395CS..Hα-helixtrans-77-41.1178-60.7-66.2000110.5I85 I91 Y116 L117 D118 A122 K123 Q124I85-I120 HydrophobicContact CG2-CG2 3.97Å; I91-I120 HydrophobicContact CD1-CB 4.17Å; I91-I120 HydrophobicContact CD1-CG2 3.28Å; Y116-I120 HydrophobicContact CD1-CG1 4.35Å; Y116-I120 HydrophobicContact CE1-CG1 3.97Å; Y116-I120 HydrophobicContact CE2-CD1 4.36Å; Y116-I120 HydrophobicContact CE2-CG1 4.28Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.09Å; L117-I120 PolarHBondContact O-N 3.23Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.18Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 3.26Å; I120-K123 PolarHBondContact O-N 3.04Å; I120-Q124 HydrophobicContact CG2-CG 4.2Å; I120-Q124 WeakPolarHBondContact O-CG 3.17Å; I120-Q124 PolarHBondContact O-N 3.01Å
121A93.3Very high94.1Very high18 Ų1877.3 Ų77.315%0.14940%0.404CS..Hα-helixtrans-60.8-42.4177.800000111.4L117 D118 Q124 S125L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 2.91Å; D118-A121 PolarHBondContact O-N 3.4Å; A121-Q124 PolarHBondContact O-N 3.3Å; A121-S125 WeakPolarHBondContact O-CB 3.4Å; A121-S125 PolarHBondContact O-N 2.93Å; A121-S125 PolarHBondContact O-OG 3.48Å
122A93.6Very high94.1Very high57 Ų5772.5 Ų72.547%0.47138%0.381SS..Hα-helixtrans-61.4-47.7173.600000111.5D118 I120 Q124 S125 S126D118-A122 WeakPolarHBondContact O-CB 3.21Å; D118-A122 PolarHBondContact O-N 3.12Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 3.26Å; A122-Q124 PolarHBondContact O-N 3.31Å; A122-S125 PolarHBondContact O-N 3.12Å; A122-S126 PolarHBondContact O-N 3.34Å; A122-S126 PolarHBondContact O-OG 3.48Å
123K93.5Very high94Very high120 Ų12069.8 Ų69.852%0.52238%0.375SS..Hα-helixtrans-59.8-44.5176.6-75169.8-176176.10112.6S119 I120 S125 S126 L127S119-K123 WeakPolarHBondContact O-CD 3.44Å; S119-K123 WeakPolarHBondContact O-CG 3.19Å; S119-K123 PolarHBondContact O-N 3.03Å; I120-K123 PolarHBondContact O-N 3.04Å; K123-S125 VanDerWaalsContact C-N 3.33Å; K123-S126 PolarHBondContact O-N 3.11Å; K123-S126 PolarHBondContact O-OG 3.26Å; K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 WeakPolarHBondContact O-CD1 3.34Å; K123-L127 WeakPolarHBondContact O-CG 3.46Å; K123-L127 PolarHBondContact O-N 3.21Å
124Q91.8Very high93.9Very high57 Ų5776.5 Ų76.527%0.26640%0.404SS..Hα-helixtrans-68.1-35.9179.4-72.3-176.6-21.300111.8I91 W92 I120 A121 A122 L127 N128 V132I91-Q124 VanDerWaalsContact CD1-OE1 3.22Å; W92-Q124 HydrophobicContact CH2-CB 3.73Å; W92-Q124 HydrophobicContact CH2-CG 4.32Å; W92-Q124 HydrophobicContact CZ2-CB 3.91Å; I120-Q124 HydrophobicContact CG2-CG 4.2Å; I120-Q124 WeakPolarHBondContact O-CG 3.17Å; I120-Q124 PolarHBondContact O-N 3.01Å; A121-Q124 PolarHBondContact O-N 3.3Å; A122-Q124 PolarHBondContact O-N 3.31Å; Q124-L127 PolarHBondContact O-N 3Å; Q124-N128 PolarHBondContact O-N 3.29Å; Q124-V132 HydrophobicContact CB-CG2 4.38Å; Q124-V132 WeakPolarHBondContact O-CG2 3.23Å
125S92.1Very high93.7Very high48 Ų4877.3 Ų77.334%0.33641%0.408SS..Hα-helixtrans-68-38.9176.3-57.40000112.2A121 A122 K123 P129A121-S125 WeakPolarHBondContact O-CB 3.4Å; A121-S125 PolarHBondContact O-N 2.93Å; A121-S125 PolarHBondContact O-OG 3.48Å; A122-S125 PolarHBondContact O-N 3.12Å; K123-S125 VanDerWaalsContact C-N 3.33Å; S125-P129 WeakPolarHBondContact O-CD 3.17Å
126S93.4Very high93.6Very high96 Ų9674.4 Ų74.467%0.67140%0.399SS*.Hα-helixtrans-71.3-33175.1630000112.9A122 K123A122-S126 PolarHBondContact O-N 3.34Å; A122-S126 PolarHBondContact O-OG 3.48Å; K123-S126 PolarHBondContact O-N 3.11Å; K123-S126 PolarHBondContact O-OG 3.26Å
127L92.2Very high93.5Very high122 Ų12275.4 Ų75.464%0.63941%0.409SS*.Hα-helixtrans-72.8-47.5179.1-73.4167.4000112K123 Q124K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 WeakPolarHBondContact O-CD1 3.34Å; K123-L127 WeakPolarHBondContact O-CG 3.46Å; K123-L127 PolarHBondContact O-N 3.21Å; Q124-L127 PolarHBondContact O-N 3Å
128N92.3Very high93.4Very high94 Ų9479.8 Ų79.850%0.50343%0.428SS..  trans-152.782.4-173.8-77.3-62.3000113Q124 K130 L131 V132Q124-N128 PolarHBondContact O-N 3.29Å; N128-K130 PolarHBondContact O-N 3.35Å; N128-L131 HydrophobicContact CB-CB 3.82Å; N128-L131 PolarHBondContact O-N 3.35Å; N128-V132 WeakPolarHBondContact O-CG2 3.22Å; N128-V132 PolarHBondContact O-N 3.05Å; N128-V132 VanDerWaalsContact O-N 3.08Å
129P93Very high93.2Very high88 Ų8875.3 Ų75.357%0.57141%0.405SS*.Hα-helixtrans-61.7-35.3178.625.3-33.7000112.3S125 L131 V132 S133S125-P129 WeakPolarHBondContact O-CD 3.17Å; P129-L131 PolarHBondContact O-N 3.02Å; P129-V132 PolarHBondContact O-N 3.34Å; P129-S133 PolarHBondContact O-N 2.95Å
130K92.7Very high93.2Very high179 Ų17978 Ų7878%0.77841%0.411SS*.Hα-helixtrans-29.6-66.1159.853.5125.1171.1174.90113.8N128 K134N128-K130 PolarHBondContact O-N 3.35Å; K130-K134 PolarHBondContact O-N 3.48Å
131L91.9Very high93.1Very high92 Ų9283.9 Ų83.948%0.48243%0.431SS..Hα-helixtrans-74.5-40-172.4179.761.3000111.1N128 P129 S133 K134 L135N128-L131 HydrophobicContact CB-CB 3.82Å; N128-L131 PolarHBondContact O-N 3.35Å; P129-L131 PolarHBondContact O-N 3.02Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.03Å; L131-K134 PolarHBondContact O-N 3.09Å; L131-L135 HydrophobicContact CD1-CD1 4.09Å; L131-L135 HydrophobicContact CD1-CG 4.22Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.36Å; L131-L135 WeakPolarHBondContact O-CG 3.28Å; L131-L135 PolarHBondContact O-N 3.46Å
132V93.3Very high93Very high9 Ų985.1 Ų85.16%0.05544%0.435CS..Hα-helixtrans-56.2-46.9175.6173.50000111.1W92 Q124 N128 P129 K134 L135 K136W92-V132 HydrophobicContact CD2-CG1 4.24Å; W92-V132 HydrophobicContact CH2-CB 4.09Å; W92-V132 HydrophobicContact CH2-CG1 4.13Å; W92-V132 HydrophobicContact CH2-CG2 3.45Å; W92-V132 VanDerWaalsContact CH2-CG2 3.45Å; W92-V132 HydrophobicContact CZ2-CB 3.9Å; W92-V132 HydrophobicContact CZ2-CG1 3.49Å; W92-V132 VanDerWaalsContact CZ2-CG1 3.49Å; W92-V132 HydrophobicContact CZ2-CG2 3.38Å; W92-V132 HydrophobicContact CZ3-CG2 4.45Å; Q124-V132 HydrophobicContact CB-CG2 4.38Å; Q124-V132 WeakPolarHBondContact O-CG2 3.23Å; N128-V132 WeakPolarHBondContact O-CG2 3.22Å; N128-V132 PolarHBondContact O-N 3.05Å; N128-V132 VanDerWaalsContact O-N 3.08Å; P129-V132 PolarHBondContact O-N 3.34Å; V132-K134 PolarHBondContact O-N 2.87Å; V132-L135 PolarHBondContact O-N 3.45Å; V132-K136 HydrophobicContact CG1-CD 4.13Å; V132-K136 HydrophobicContact CG1-CG 4.45Å; V132-K136 WeakPolarHBondContact O-CG 3.28Å; V132-K136 PolarHBondContact O-N 3.46Å
133S93.5Very high92.9Very high62 Ų6282.4 Ų82.443%0.43441%0.413SS..Hα-helixtrans-58.3-48.2177.1-167.90000111.5P129 L131 L135 K136 D137P129-S133 PolarHBondContact O-N 2.95Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.03Å; S133-L135 VanDerWaalsContact C-N 3.3Å; S133-L135 PolarHBondContact O-N 3.01Å; S133-K136 WeakPolarHBondContact O-CB 3.36Å; S133-K136 PolarHBondContact O-N 3.46Å; S133-D137 PolarHBondContact O-N 3.44Å
134K94.3Very high92.9Very high141 Ų14180 Ų8061%0.61340%0.403SS*.Hα-helixtrans-59.9-37.6176.3-69.4179.1-179179.50113.2K130 L131 V132 K138K130-K134 PolarHBondContact O-N 3.48Å; L131-K134 PolarHBondContact O-N 3.09Å; V132-K134 PolarHBondContact O-N 2.87Å; K134-K138 WeakPolarHBondContact O-CB 3.34Å; K134-K138 PolarHBondContact O-N 2.89Å
135L93Very high92.9Very high43 Ų4384.2 Ų84.223%0.22542%0.417CS..Hα-helixtrans-73.5-35.1179.8-71.2171.2000112.2N90 W92 L131 V132 S133 A139N90-L135 PolarHBondContact ND2-O 3.23Å; W92-L135 HydrophobicContact CE3-CB 3.5Å; W92-L135 VanDerWaalsContact CE3-CB 3.5Å; W92-L135 HydrophobicContact CE3-CD1 3.93Å; W92-L135 HydrophobicContact CE3-CG 4.33Å; W92-L135 HydrophobicContact CH2-CD1 4.26Å; W92-L135 HydrophobicContact CZ3-CB 3.8Å; W92-L135 HydrophobicContact CZ3-CD1 3.32Å; W92-L135 HydrophobicContact CZ3-CG 4.17Å; L131-L135 HydrophobicContact CD1-CD1 4.09Å; L131-L135 HydrophobicContact CD1-CG 4.22Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.36Å; L131-L135 WeakPolarHBondContact O-CG 3.28Å; L131-L135 PolarHBondContact O-N 3.46Å; V132-L135 PolarHBondContact O-N 3.45Å; S133-L135 VanDerWaalsContact C-N 3.3Å; S133-L135 PolarHBondContact O-N 3.01Å; L135-A139 WeakPolarHBondContact O-CB 3.29Å; L135-A139 PolarHBondContact O-N 2.84Å
136K93.8Very high92.7Very high105 Ų10584.8 Ų84.846%0.45741%0.412SS..Hα-helixtrans-63.7-47.2168.9-71.9177.7176.5-175.30111.3W92 V132 S133 K138 A139 F140W92-K136 HydrophobicContact CB-CG 3.81Å; W92-K136 VanDerWaalsContact CD1-CE 3.48Å; W92-K136 HydrophobicContact CD2-CG 4.39Å; W92-K136 HydrophobicContact CG-CG 3.75Å; V132-K136 HydrophobicContact CG1-CD 4.13Å; V132-K136 HydrophobicContact CG1-CG 4.45Å; V132-K136 WeakPolarHBondContact O-CG 3.28Å; V132-K136 PolarHBondContact O-N 3.46Å; S133-K136 WeakPolarHBondContact O-CB 3.36Å; S133-K136 PolarHBondContact O-N 3.46Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.21Å; K136-A139 PolarHBondContact O-N 3.33Å; K136-F140 WeakPolarHBondContact O-CB 3.31Å; K136-F140 PolarHBondContact O-N 3.37Å
137D94.3Very high92.6Very high85 Ų8582.3 Ų82.346%0.45539%0.39SS..Hα-helixtrans-63.4-37.2177.2-70.2-19.6000112.7S133 R141S133-D137 PolarHBondContact O-N 3.44Å; D137-R141 WeakPolarHBondContact O-CB 3.48Å; D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.99Å; D137-R141 PolarHBondContact O-NE 3.43Å
138K92.8Very high92.5Very high94 Ų9481.1 Ų81.141%0.40938%0.38SS..Hα-helixtrans-64.3-48.8173.7-175.6-175.6175.1-167.50110.3K134 K136 F140 R141 D142K134-K138 WeakPolarHBondContact O-CB 3.34Å; K134-K138 PolarHBondContact O-N 2.89Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.21Å; K138-F140 VanDerWaalsContact C-N 3.32Å; K138-F140 PolarHBondContact O-N 3.44Å; K138-R141 PolarHBondContact O-N 3.43Å; K138-D142 WeakPolarHBondContact O-CB 3.15Å; K138-D142 VanDerWaalsContact O-CG 3.28Å; K138-D142 PolarHBondContact O-N 2.83Å
139A92.8Very high92.3Very high2 Ų280.4 Ų80.42%0.01738%0.376CS..Hα-helixtrans-59.2-43.2178.500000112.4W92 L94 L135 K136 D142 A143W92-A139 WeakPolarHBondContact O-CB 3.43Å; L94-A139 HydrophobicContact CD1-CB 4.39Å; L94-A139 HydrophobicContact CG-CB 4.2Å; L135-A139 WeakPolarHBondContact O-CB 3.29Å; L135-A139 PolarHBondContact O-N 2.84Å; K136-A139 PolarHBondContact O-N 3.33Å; A139-D142 PolarHBondContact O-N 3.46Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 2.81Å
140F94.4Very high91.9Very high102 Ų10278.8 Ų78.845%0.44737%0.366SS..Hα-helixtrans-62.5-48.3176.6-171.4-93.5000112.1L94 Y98 K136 K138 D142 A143 E144L94-F140 HydrophobicContact CD1-CB 4.41Å; L94-F140 HydrophobicContact CD1-CD2 4.37Å; Y98-F140 HydrophobicContact CD1-CD2 4.12Å; Y98-F140 HydrophobicContact CD1-CE2 4.05Å; Y98-F140 AromaticContact CE1-CD2 3.86Å; Y98-F140 HydrophobicContact CE1-CD2 3.86Å; Y98-F140 AromaticContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CZ 4.27Å; K136-F140 WeakPolarHBondContact O-CB 3.31Å; K136-F140 PolarHBondContact O-N 3.37Å; K138-F140 VanDerWaalsContact C-N 3.32Å; K138-F140 PolarHBondContact O-N 3.44Å; F140-D142 VanDerWaalsContact C-N 3.31Å; F140-D142 PolarHBondContact O-N 3.44Å; F140-A143 PolarHBondContact O-N 3.33Å; F140-E144 WeakPolarHBondContact O-CB 3.48Å; F140-E144 PolarHBondContact O-N 3.25Å
141R93.3Very high91.8Very high148 Ų14874.1 Ų74.156%0.55835%0.353SS*.Hα-helixtrans-62.7-37.5177-76.4-177.4-70.3-171.9-3.2112.7D137 K138 R145D137-R141 WeakPolarHBondContact O-CB 3.48Å; D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.99Å; D137-R141 PolarHBondContact O-NE 3.43Å; K138-R141 PolarHBondContact O-N 3.43Å; R141-R145 WeakPolarHBondContact O-CB 3.15Å; R141-R145 PolarHBondContact O-N 3.14Å
142D91.2Very high91.7Very high43 Ų4375.9 Ų75.923%0.2336%0.356CS..Hα-helixtrans-69.5-42.7178.4-71.6-19.2000111K138 A139 F140 R145 R146K138-D142 WeakPolarHBondContact O-CB 3.15Å; K138-D142 VanDerWaalsContact O-CG 3.28Å; K138-D142 PolarHBondContact O-N 2.83Å; A139-D142 PolarHBondContact O-N 3.46Å; F140-D142 VanDerWaalsContact C-N 3.31Å; F140-D142 PolarHBondContact O-N 3.44Å; D142-R145 PolarHBondContact O-N 3.3Å; D142-R145 IonicContact OD1-NH2 3.88Å; D142-R146 WeakPolarHBondContact O-CG 3.37Å; D142-R146 PolarHBondContact O-N 3.3Å; D142-R146 VanDerWaalsContact O-N 3.1Å
143A91.4Very high91.4Very high0 Ų080.8 Ų80.80%038%0.382CS..Hα-helixtrans-62.3-47.4173.300000112.1L94 Y98 A139 F140 R145 R146 I147L94-A143 HydrophobicContact CB-CB 4.05Å; Y98-A143 HydrophobicContact CD1-CB 4.45Å; Y98-A143 HydrophobicContact CE1-CB 4.2Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 2.81Å; F140-A143 PolarHBondContact O-N 3.33Å; A143-R145 VanDerWaalsContact C-N 3.29Å; A143-R145 PolarHBondContact O-N 2.89Å; A143-R146 VanDerWaalsContact CA-NH1 3.35Å; A143-R146 WeakPolarHBondContact O-CB 3.29Å; A143-R146 PolarHBondContact O-N 3.48Å; A143-R146 VanDerWaalsContact O-N 3.12Å; A143-I147 WeakPolarHBondContact O-CG1 3.19Å; A143-I147 PolarHBondContact O-N 2.91Å
144E93.2Very high90.9Very high69 Ų6983.7 Ų83.732%0.32239%0.389SS..Hα-helixtrans-61.6-38.7179.1-160.7-159.4-172.800111.8F140 K148F140-E144 WeakPolarHBondContact O-CB 3.48Å; F140-E144 PolarHBondContact O-N 3.25Å; E144-K148 VanDerWaalsContact CD-CE 3.47Å; E144-K148 HydrophobicContact CG-CD 4.31Å; E144-K148 VanDerWaalsContact O-CB 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.24Å; E144-K148 WeakPolarHBondContact O-CG 3.31Å; E144-K148 PolarHBondContact O-N 2.9Å; E144-K148 WeakPolarHBondContact OE1-CE 3.4Å; E144-K148 IonicContact OE1-NZ 3.96Å; E144-K148 PolarHBondContact OE1-NZ 3.11Å; E144-K148 IonicContact OE2-NZ 3.62Å; E144-K148 PolarHBondContact OE2-NZ 3.44Å
145R92Very high90.7Very high147 Ų14783.4 Ų83.456%0.55539%0.387SS*.Hα-helixtrans-62-46174.7-170.3-176-55.115612.1111.4R141 D142 A143 K148 D149R141-R145 WeakPolarHBondContact O-CB 3.15Å; R141-R145 PolarHBondContact O-N 3.14Å; D142-R145 PolarHBondContact O-N 3.3Å; D142-R145 IonicContact OD1-NH2 3.88Å; A143-R145 VanDerWaalsContact C-N 3.29Å; A143-R145 PolarHBondContact O-N 2.89Å; R145-K148 PolarHBondContact O-N 3.17Å; R145-D149 PolarHBondContact O-N 3.5Å
146R88.8Confident90.5Very high59 Ų5986.6 Ų86.622%0.22340%0.399CS..Hα-helixtrans-60.9-47.7177.8-70.3179.1-133.8118.9-1.5111.7C61 L94 D142 A143 K148 D149 C150C61-R146 VanDerWaalsContact SG-CD 3.5Å; C61-R146 PolarHBondContact SG-NE 3.32Å; L94-R146 PolarHBondContact O-NH1 3.4Å; D142-R146 WeakPolarHBondContact O-CG 3.37Å; D142-R146 PolarHBondContact O-N 3.3Å; D142-R146 VanDerWaalsContact O-N 3.1Å; A143-R146 VanDerWaalsContact CA-NH1 3.35Å; A143-R146 WeakPolarHBondContact O-CB 3.29Å; A143-R146 PolarHBondContact O-N 3.48Å; A143-R146 VanDerWaalsContact O-N 3.12Å; R146-K148 PolarHBondContact O-N 3.18Å; R146-D149 PolarHBondContact O-N 2.98Å; R146-C150 PolarHBondContact O-N 3.31Å
147I90.3Very high90Very high44 Ų4487.1 Ų87.123%0.22640%0.403CS..Hα-helixtrans-61.3-46.2178.3-64.6163.1000110.3N96 Y98 A143 D149 C150 V151N96-I147 HydrophobicContact CB-CG1 4.35Å; N96-I147 WeakPolarHBondContact O-CD1 3.47Å; Y98-I147 HydrophobicContact CE1-CD1 4.38Å; Y98-I147 HydrophobicContact CE2-CD1 3.79Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.44Å; A143-I147 WeakPolarHBondContact O-CG1 3.19Å; A143-I147 PolarHBondContact O-N 2.91Å; I147-D149 VanDerWaalsContact C-N 3.28Å; I147-D149 PolarHBondContact O-N 3.48Å; I147-C150 WeakPolarHBondContact O-CB 3.42Å; I147-C150 PolarHBondContact O-N 3.07Å; I147-V151 HydrophobicContact CG2-CG2 4.36Å; I147-V151 WeakPolarHBondContact O-CG2 3.4Å; I147-V151 PolarHBondContact O-N 3.25Å
148K91.4Very high89.6Confident98 Ų9888.4 Ų88.443%0.42641%0.406SS..Hα-helixtrans-56.7-42.3175.6-78.9170.2-179.4165.50111.8E144 R145 R146 V151 K152E144-K148 VanDerWaalsContact CD-CE 3.47Å; E144-K148 HydrophobicContact CG-CD 4.31Å; E144-K148 VanDerWaalsContact O-CB 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.24Å; E144-K148 WeakPolarHBondContact O-CG 3.31Å; E144-K148 PolarHBondContact O-N 2.9Å; E144-K148 WeakPolarHBondContact OE1-CE 3.4Å; E144-K148 IonicContact OE1-NZ 3.96Å; E144-K148 PolarHBondContact OE1-NZ 3.11Å; E144-K148 IonicContact OE2-NZ 3.62Å; E144-K148 PolarHBondContact OE2-NZ 3.44Å; R145-K148 PolarHBondContact O-N 3.17Å; R146-K148 PolarHBondContact O-N 3.18Å; K148-V151 PolarHBondContact O-N 3.41Å; K148-K152 VanDerWaalsContact O-CG 3.24Å; K148-K152 WeakPolarHBondContact O-CG 3.43Å; K148-K152 PolarHBondContact O-N 2.94Å
149D88.1Confident89.5Confident78 Ų7887.3 Ų87.342%0.41740%0.403SS..Hα-helixtrans-71.2-36.9179.6-69.9-19.1000112.2R145 R146 I147 K152 L153R145-D149 PolarHBondContact O-N 3.5Å; R146-D149 PolarHBondContact O-N 2.98Å; I147-D149 VanDerWaalsContact C-N 3.28Å; I147-D149 PolarHBondContact O-N 3.48Å; D149-K152 PolarHBondContact O-N 3.35Å; D149-K152 IonicContact OD1-NZ 2.78Å; D149-K152 PolarHBondContact OD1-NZ 3.26Å; D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 PolarHBondContact O-N 3.45Å
150C84.4Confident89.4Confident54 Ų5493.3 Ų93.337%0.36543%0.425SS..Hα-helixtrans-60.7-48.3171.2-172.60000111.5R146 I147 K152 L153 Q154R146-C150 PolarHBondContact O-N 3.31Å; I147-C150 WeakPolarHBondContact O-CB 3.42Å; I147-C150 PolarHBondContact O-N 3.07Å; C150-K152 PolarHBondContact O-N 3Å; C150-L153 WeakPolarHBondContact O-CB 3.31Å; C150-L153 PolarHBondContact O-N 3.5Å; C150-L153 VanDerWaalsContact O-N 3.14Å; C150-Q154 WeakPolarHBondContact O-CG 3.5Å; C150-Q154 PolarHBondContact O-N 3.47Å
151V89.1Confident88.9Confident81 Ų8193 Ų9349%0.49143%0.426SS..Hα-helixtrans-61.5-42.3177.2171.70000111.5I147 K148 L153 Q154 K155I147-V151 HydrophobicContact CG2-CG2 4.36Å; I147-V151 WeakPolarHBondContact O-CG2 3.4Å; I147-V151 PolarHBondContact O-N 3.25Å; K148-V151 PolarHBondContact O-N 3.41Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 2.87Å; V151-Q154 PolarHBondContact O-N 3.04Å; V151-K155 WeakPolarHBondContact O-CB 3.39Å; V151-K155 PolarHBondContact O-N 2.61Å
152K90.9Very high88.6Confident129 Ų12990 Ų9056%0.56142%0.418SS*.Hα-helixtrans-60.4-42.4174.5-74.7171.7-157.6157.80111.6K148 D149 C150 K155 K156K148-K152 VanDerWaalsContact O-CG 3.24Å; K148-K152 WeakPolarHBondContact O-CG 3.43Å; K148-K152 PolarHBondContact O-N 2.94Å; D149-K152 PolarHBondContact O-N 3.35Å; D149-K152 IonicContact OD1-NZ 2.78Å; D149-K152 PolarHBondContact OD1-NZ 3.26Å; C150-K152 PolarHBondContact O-N 3Å; K152-K155 PolarHBondContact O-N 3.38Å; K152-K156 WeakPolarHBondContact O-CB 3.43Å; K152-K156 PolarHBondContact O-N 3.13Å
153L85.8Confident88.6Confident113 Ų11394.4 Ų94.459%0.59244%0.435SS*.Hα-helixtrans-65.6-44.1179.5-172.963.6000111.2D149 C150 V151 K156 H157D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 PolarHBondContact O-N 3.45Å; C150-L153 WeakPolarHBondContact O-CB 3.31Å; C150-L153 PolarHBondContact O-N 3.5Å; C150-L153 VanDerWaalsContact O-N 3.14Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 2.87Å; L153-K156 PolarHBondContact O-N 2.95Å; L153-H157 WeakPolarHBondContact O-CB 3.48Å; L153-H157 PolarHBondContact O-N 2.87Å
154Q83.1Confident88.4Confident123 Ų123102.1 Ų102.158%0.57547%0.465SS*.Hα-helixtrans-60.6-46.1174.8-70.9178.67.100111.8C150 V151 K156 H157 H158C150-Q154 WeakPolarHBondContact O-CG 3.5Å; C150-Q154 PolarHBondContact O-N 3.47Å; V151-Q154 PolarHBondContact O-N 3.04Å; Q154-K156 PolarHBondContact O-N 3.25Å; Q154-H157 WeakPolarHBondContact O-CB 3Å; Q154-H157 PolarHBondContact O-N 3.4Å; Q154-H158 WeakPolarHBondContact O-CB 3.49Å; Q154-H158 PolarHBondContact O-N 3.44Å
155K90.5Very high88.1Confident134 Ų134105.8 Ų105.858%0.58348%0.476SS*.Hα-helixtrans-59.6-45.1175.4-176.1177177.5178.30111.7V151 K152 H157 H158 E159V151-K155 WeakPolarHBondContact O-CB 3.39Å; V151-K155 PolarHBondContact O-N 2.61Å; K152-K155 PolarHBondContact O-N 3.38Å; K155-H157 VanDerWaalsContact C-N 3.31Å; K155-H157 PolarHBondContact O-N 3.5Å; K155-H158 PolarHBondContact O-N 2.58Å; K155-E159 VanDerWaalsContact CE-OE1 3.26Å; K155-E159 WeakPolarHBondContact CE-OE1 3.48Å; K155-E159 WeakPolarHBondContact O-CB 3.34Å; K155-E159 WeakPolarHBondContact O-CG 3.24Å; K155-E159 PolarHBondContact O-N 2.84Å
156K89.8Confident87.9Confident111 Ų111105 Ų10548%0.48348%0.477SS..Hα-helixtrans-62.8-37.9176.8-171.5-179.3-172.3-179.60112.1K152 L153 Q154 R160K152-K156 WeakPolarHBondContact O-CB 3.43Å; K152-K156 PolarHBondContact O-N 3.13Å; L153-K156 PolarHBondContact O-N 2.95Å; Q154-K156 PolarHBondContact O-N 3.25Å; K156-R160 VanDerWaalsContact CE-NH2 3.34Å; K156-R160 WeakPolarHBondContact O-CB 3.47Å; K156-R160 VanDerWaalsContact O-CG 3.25Å; K156-R160 WeakPolarHBondContact O-CG 3.12Å; K156-R160 PolarHBondContact O-N 3.12Å; K156-R160 VanDerWaalsContact O-N 3.11Å
157H82.2Confident87.9Confident115 Ų115108.7 Ų108.753%0.53250%0.495SS..Hα-helixtrans-66.1-48.1174.4-177.1-97.3000111.1L153 Q154 K155 E159 R160 M161L153-H157 WeakPolarHBondContact O-CB 3.48Å; L153-H157 PolarHBondContact O-N 2.87Å; Q154-H157 WeakPolarHBondContact O-CB 3Å; Q154-H157 PolarHBondContact O-N 3.4Å; K155-H157 VanDerWaalsContact C-N 3.31Å; K155-H157 PolarHBondContact O-N 3.5Å; H157-E159 PolarHBondContact O-N 3.25Å; H157-R160 WeakPolarHBondContact O-CB 3.28Å; H157-R160 PolarHBondContact O-N 2.94Å; H157-R160 VanDerWaalsContact O-N 3.14Å; H157-M161 WeakPolarHBondContact O-CG 3.38Å; H157-M161 PolarHBondContact O-N 3.19Å
158H86.1Confident87.5Confident112 Ų112112.5 Ų112.552%0.51951%0.512SS..Hα-helixtrans-58-48.1176.4-176.978.4000112Q154 K155 R160 M161 E162Q154-H158 WeakPolarHBondContact O-CB 3.49Å; Q154-H158 PolarHBondContact O-N 3.44Å; K155-H158 PolarHBondContact O-N 2.58Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 3.06Å; H158-M161 WeakPolarHBondContact O-CB 3.42Å; H158-M161 PolarHBondContact O-N 3.32Å; H158-M161 VanDerWaalsContact O-N 3.11Å; H158-E162 IonicContact NE2-OE1 3.79Å; H158-E162 PolarHBondContact O-N 3.05Å
159E91.4Very high86.8Confident72 Ų72113.4 Ų113.434%0.33652%0.518SS..Hα-helixtrans-60.3-36.3175.8-75.3178.2-163.200113K155 H157 K163K155-E159 VanDerWaalsContact CE-OE1 3.26Å; K155-E159 WeakPolarHBondContact CE-OE1 3.48Å; K155-E159 WeakPolarHBondContact O-CB 3.34Å; K155-E159 WeakPolarHBondContact O-CG 3.24Å; K155-E159 PolarHBondContact O-N 2.84Å; H157-E159 PolarHBondContact O-N 3.25Å; E159-K163 WeakPolarHBondContact O-CB 3.34Å; E159-K163 WeakPolarHBondContact O-CD 3.39Å; E159-K163 WeakPolarHBondContact O-CG 3.38Å; E159-K163 PolarHBondContact O-N 2.83Å
160R89.8Confident86.2Confident128 Ų128112.4 Ų112.448%0.48352%0.518SS..Hα-helixtrans-67.2-41.1174.9-78.6169.5173.6163.8-9.8111.2K156 H157 H158 K163 R164K156-R160 VanDerWaalsContact CE-NH2 3.34Å; K156-R160 WeakPolarHBondContact O-CB 3.47Å; K156-R160 VanDerWaalsContact O-CG 3.25Å; K156-R160 WeakPolarHBondContact O-CG 3.12Å; K156-R160 PolarHBondContact O-N 3.12Å; K156-R160 VanDerWaalsContact O-N 3.11Å; H157-R160 WeakPolarHBondContact O-CB 3.28Å; H157-R160 PolarHBondContact O-N 2.94Å; H157-R160 VanDerWaalsContact O-N 3.14Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 3.06Å; R160-K163 PolarHBondContact O-N 3.35Å; R160-R164 WeakPolarHBondContact O-CG 3.38Å; R160-R164 PolarHBondContact O-N 3.26Å
161M84.3Confident85.5Confident94 Ų94113.7 Ų113.746%0.46352%0.521SS..Hα-helixtrans-64.7-45.3176-68.8-55.4-66.500111.3H157 H158 K163 R164 Y165H157-M161 WeakPolarHBondContact O-CG 3.38Å; H157-M161 PolarHBondContact O-N 3.19Å; H158-M161 WeakPolarHBondContact O-CB 3.42Å; H158-M161 PolarHBondContact O-N 3.32Å; H158-M161 VanDerWaalsContact O-N 3.11Å; M161-K163 VanDerWaalsContact C-N 3.33Å; M161-K163 PolarHBondContact O-N 3.07Å; M161-R164 PolarHBondContact O-N 3.5Å; M161-Y165 WeakPolarHBondContact O-CB 3.34Å; M161-Y165 PolarHBondContact O-N 3.4Å
162E88Confident84.2Confident86 Ų86113.9 Ų113.940%0.40252%0.519SS..Hα-helixtrans-61.5-39.3174.9-73.1-155.3125.500112.8H158 Y165 K166H158-E162 IonicContact NE2-OE1 3.79Å; H158-E162 PolarHBondContact O-N 3.05Å; E162-Y165 PolarHBondContact O-N 3.33Å; E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 WeakPolarHBondContact O-CG 3.32Å; E162-K166 PolarHBondContact O-N 3.27Å; E162-K166 IonicContact OE2-NZ 3.9Å
163K90.6Very high82.7Confident136 Ų136110.5 Ų110.559%0.59151%0.512SS*.Hα-helixtrans-65.2-40.1175.9-77.5167.8-175.7163.50111.8E159 R160 M161 K167E159-K163 WeakPolarHBondContact O-CB 3.34Å; E159-K163 WeakPolarHBondContact O-CD 3.39Å; E159-K163 WeakPolarHBondContact O-CG 3.38Å; E159-K163 PolarHBondContact O-N 2.83Å; R160-K163 PolarHBondContact O-N 3.35Å; M161-K163 VanDerWaalsContact C-N 3.33Å; M161-K163 PolarHBondContact O-N 3.07Å; K163-K167 WeakPolarHBondContact O-CB 2.95Å; K163-K167 PolarHBondContact O-N 3.48Å
164R86.9Confident81.2Confident162 Ų162110 Ų11061%0.61151%0.51SS*.Hα-helixtrans-63.7-48.8173.9-75.5-179.1-178.6-170.40.4110.8R160 M161 K166 K167 E168R160-R164 WeakPolarHBondContact O-CG 3.38Å; R160-R164 PolarHBondContact O-N 3.26Å; M161-R164 PolarHBondContact O-N 3.5Å; R164-K166 PolarHBondContact O-N 3.46Å; R164-K167 WeakPolarHBondContact O-CB 3.41Å; R164-K167 PolarHBondContact O-N 3.05Å; R164-K167 VanDerWaalsContact O-N 3.12Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 3.08Å
165Y87.3Confident79.9Confident146 Ų146107.9 Ų107.957%0.57351%0.505SS*.Hα-helixtrans-58.1-47.5177.2-178-99.8000112.4M161 E162 K167 E168 M169M161-Y165 WeakPolarHBondContact O-CB 3.34Å; M161-Y165 PolarHBondContact O-N 3.4Å; E162-Y165 PolarHBondContact O-N 3.33Å; Y165-K167 VanDerWaalsContact C-N 3.32Å; Y165-K167 PolarHBondContact O-N 3.02Å; Y165-E168 PolarHBondContact O-N 2.92Å; Y165-M169 HydrophobicContact CE1-SD 4.43Å; Y165-M169 WeakPolarHBondContact O-CB 3.4Å; Y165-M169 PolarHBondContact O-N 2.97Å
166K87.8Confident78.1Confident130 Ų130106.9 Ų106.957%0.56550%0.504SS*.Hα-helixtrans-62.3-37.2176.1-76171.3-178160.20112.5E162 R164 S170E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 WeakPolarHBondContact O-CG 3.32Å; E162-K166 PolarHBondContact O-N 3.27Å; E162-K166 IonicContact OE2-NZ 3.9Å; R164-K166 PolarHBondContact O-N 3.46Å; K166-S170 PolarHBondContact O-N 3.07Å; K166-S170 VanDerWaalsContact O-N 3.09Å
167K87.5Confident76.1Confident137 Ų137105.9 Ų105.960%0.59651%0.511SS*.Hα-helixtrans-67-47.4175.7-174.6-175174.9-168.30111.2K163 R164 Y165 M169 S170 D171K163-K167 WeakPolarHBondContact O-CB 2.95Å; K163-K167 PolarHBondContact O-N 3.48Å; R164-K167 WeakPolarHBondContact O-CB 3.41Å; R164-K167 PolarHBondContact O-N 3.05Å; R164-K167 VanDerWaalsContact O-N 3.12Å; Y165-K167 VanDerWaalsContact C-N 3.32Å; Y165-K167 PolarHBondContact O-N 3.02Å; K167-M169 VanDerWaalsContact C-N 3.32Å; K167-M169 PolarHBondContact O-N 3.28Å; K167-S170 WeakPolarHBondContact O-CB 3.44Å; K167-S170 PolarHBondContact O-N 3.18Å; K167-D171 WeakPolarHBondContact O-CB 3.48Å; K167-D171 VanDerWaalsContact O-CG 3.31Å; K167-D171 PolarHBondContact O-N 3.25Å
168E83.4Confident74.3Confident124 Ų124106.6 Ų106.658%0.57951%0.513SS*.Hα-helixtrans-61.9-39.4177.1-73.4168.5-166.400111.7R164 Y165 S170 D171 N172R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 3.08Å; Y165-E168 PolarHBondContact O-N 2.92Å; E168-S170 PolarHBondContact O-N 3.49Å; E168-D171 PolarHBondContact O-N 2.75Å; E168-N172 WeakPolarHBondContact O-CB 3.49Å; E168-N172 PolarHBondContact O-N 3.16Å
169M75.8Confident72.4Confident116 Ų116105.4 Ų105.457%0.57152%0.517SS*.Hα-helixtrans-62.4-41174-161.990.6147.100112.1Y165 K167 S173Y165-M169 HydrophobicContact CE1-SD 4.43Å; Y165-M169 WeakPolarHBondContact O-CB 3.4Å; Y165-M169 PolarHBondContact O-N 2.97Å; K167-M169 VanDerWaalsContact C-N 3.32Å; K167-M169 PolarHBondContact O-N 3.28Å; M169-S173 WeakPolarHBondContact O-CB 3.4Å; M169-S173 PolarHBondContact O-N 3Å; M169-S173 PolarHBondContact O-OG 3.01Å
170S74.7Confident70.3Confident58 Ų58107 Ų10741%0.40654%0.536SS..Hα-helixtrans-67.2-48.1175.7-170.10000111.4K166 K167 E168 N172 S173 D174K166-S170 PolarHBondContact O-N 3.07Å; K166-S170 VanDerWaalsContact O-N 3.09Å; K167-S170 WeakPolarHBondContact O-CB 3.44Å; K167-S170 PolarHBondContact O-N 3.18Å; E168-S170 PolarHBondContact O-N 3.49Å; S170-N172 VanDerWaalsContact C-N 3.3Å; S170-N172 PolarHBondContact O-N 3.09Å; S170-S173 WeakPolarHBondContact CA-OG 3.34Å; S170-S173 PolarHBondContact O-N 3.49Å; S170-S173 PolarHBondContact O-OG 2.65Å; S170-D174 PolarHBondContact O-N 2.88Å
171D69.9Low68.5Low80 Ų80107.4 Ų107.443%0.42854%0.539SS..Hα-helixtrans-63.9-36.7179.8-68.5-16.6000110.6K167 E168 D174 T175K167-D171 WeakPolarHBondContact O-CB 3.48Å; K167-D171 VanDerWaalsContact O-CG 3.31Å; K167-D171 PolarHBondContact O-N 3.25Å; E168-D171 PolarHBondContact O-N 2.75Å; D171-D174 PolarHBondContact O-N 3.47Å; D171-T175 WeakPolarHBondContact O-CG2 3.4Å; D171-T175 PolarHBondContact O-N 2.82Å
172N62.5Low66.6Low86 Ų86108 Ų10846%0.4655%0.552SS.*Hα-helixtrans-74.4-32175.9-153.136.8000112.6E168 S170 D174 T175 M176E168-N172 WeakPolarHBondContact O-CB 3.49Å; E168-N172 PolarHBondContact O-N 3.16Å; S170-N172 VanDerWaalsContact C-N 3.3Å; S170-N172 PolarHBondContact O-N 3.09Å; N172-D174 VanDerWaalsContact C-N 3.31Å; N172-T175 WeakPolarHBondContact CA-OG1 3.32Å; N172-T175 PolarHBondContact O-N 3.24Å; N172-T175 PolarHBondContact O-OG1 3.46Å; N172-T175 PolarHBondContact OD1-OG1 3.44Å; N172-M176 VanDerWaalsContact O-CB 3.32Å; N172-M176 WeakPolarHBondContact O-CB 3.43Å; N172-M176 WeakPolarHBondContact O-CG 3.49Å; N172-M176 PolarHBondContact O-N 3.23Å
173S59Low64.4Low58 Ų58110.3 Ų110.341%0.40658%0.577SS.*Hα-helixtrans-67.9-32.6170.665.30000112.5M169 S170 S177M169-S173 WeakPolarHBondContact O-CB 3.4Å; M169-S173 PolarHBondContact O-N 3Å; M169-S173 PolarHBondContact O-OG 3.01Å; S170-S173 WeakPolarHBondContact CA-OG 3.34Å; S170-S173 PolarHBondContact O-N 3.49Å; S170-S173 PolarHBondContact O-OG 2.65Å; S173-S177 VanDerWaalsContact O-CB 3.28Å; S173-S177 WeakPolarHBondContact O-CB 3.49Å; S173-S177 PolarHBondContact O-N 3.25Å; S173-S177 PolarHBondContact O-OG 3.39Å
174D54.6Low62.2Low102 Ų102109.2 Ų109.255%0.54559%0.587SS.*Hα-helixtrans-74.5-29.8175.4-72-24.8000111.9S170 D171 N172S170-D174 PolarHBondContact O-N 2.88Å; D171-D174 PolarHBondContact O-N 3.47Å; N172-D174 VanDerWaalsContact C-N 3.31Å
175T56.4Low60.1Low78 Ų78107.6 Ų107.648%0.47960%0.595SS.*Hα-helixtrans-77.6-40173.565.30000112.6D171 N172 S177 F178 S179D171-T175 WeakPolarHBondContact O-CG2 3.4Å; D171-T175 PolarHBondContact O-N 2.82Å; N172-T175 WeakPolarHBondContact CA-OG1 3.32Å; N172-T175 PolarHBondContact O-N 3.24Å; N172-T175 PolarHBondContact O-OG1 3.46Å; N172-T175 PolarHBondContact OD1-OG1 3.44Å; T175-S177 PolarHBondContact O-N 3.3Å; T175-F178 PolarHBondContact O-N 3.2Å; T175-S179 PolarHBondContact O-N 3.2Å; T175-S179 VanDerWaalsContact O-N 3.13Å
176M51.5Low57.8Low114 Ų114108.3 Ų108.356%0.56261%0.608SS**Hα-helixtrans-69.5-24176.3-60.7-91.9175.500112N172 F178 S179N172-M176 VanDerWaalsContact O-CB 3.32Å; N172-M176 WeakPolarHBondContact O-CB 3.43Å; N172-M176 WeakPolarHBondContact O-CG 3.49Å; N172-M176 PolarHBondContact O-N 3.23Å; M176-F178 VanDerWaalsContact C-N 3.31Å; M176-S179 WeakPolarHBondContact CA-OG 3.41Å; M176-S179 PolarHBondContact O-OG 3.41Å; M176-S179 VanDerWaalsContact O-OG 3.13Å
177S48.9Very low55.5Low89 Ų89106.7 Ų106.762%0.62261%0.613SS**THydrogen-bonded Turntrans-79.2-12.3171.1-59.70000113.3S173 T175S173-S177 VanDerWaalsContact O-CB 3.28Å; S173-S177 WeakPolarHBondContact O-CB 3.49Å; S173-S177 PolarHBondContact O-N 3.25Å; S173-S177 PolarHBondContact O-OG 3.39Å; T175-S177 PolarHBondContact O-N 3.3Å
178F44.5Very low53.3Low131 Ų131109.5 Ų109.558%0.57563%0.625SS**THydrogen-bonded Turntrans-100.9-19.6176.7-160.9-92.3000112.7T175 M176 S180 Y181T175-F178 PolarHBondContact O-N 3.2Å; M176-F178 VanDerWaalsContact C-N 3.31Å; F178-S180 PolarHBondContact O-N 2.9Å; F178-Y181 HydrophobicContact CD1-CE1 4.38Å; F178-Y181 AromaticContact CD2-CE1 3.94Å; F178-Y181 HydrophobicContact CD2-CE1 3.94Å; F178-Y181 WeakPolarHBondContact CD2-OH 3.24Å; F178-Y181 HydrophobicContact CE2-CE1 4.13Å; F178-Y181 AromaticContact CE2-CZ 3.76Å; F178-Y181 WeakPolarHBondContact CE2-OH 3.34Å; F178-Y181 HydrophobicContact CG-CE1 4.12Å; F178-Y181 HydrophobicContact CZ-CE1 4.41Å; F178-Y181 AromaticContact CZ-CZ 3.74Å; F178-Y181 WeakPolarHBondContact CZ-OH 3.34Å
179S45Very low51.1Low87 Ų87112.5 Ų112.561%0.60864%0.636SS**THydrogen-bonded Turntrans-77.11.5177.5520000115.1T175 M176 Y181T175-S179 PolarHBondContact O-N 3.2Å; T175-S179 VanDerWaalsContact O-N 3.13Å; M176-S179 WeakPolarHBondContact CA-OG 3.41Å; M176-S179 PolarHBondContact O-OG 3.41Å; M176-S179 VanDerWaalsContact O-OG 3.13Å; S179-Y181 VanDerWaalsContact C-N 3.32Å
180S47.4Very low49Very low105 Ų105114.8 Ų114.873%0.73464%0.644SS**THydrogen-bonded Turntrans-87.64.8177.6-53.10000114.3F178F178-S180 PolarHBondContact O-N 2.9Å
181Y52.8Low47.2Very low137 Ų137119.8 Ų119.854%0.53766%0.66SS.*SBendtrans-14294.6165.670.7-78.7000108.7F178 S179F178-Y181 HydrophobicContact CD1-CE1 4.38Å; F178-Y181 AromaticContact CD2-CE1 3.94Å; F178-Y181 HydrophobicContact CD2-CE1 3.94Å; F178-Y181 WeakPolarHBondContact CD2-OH 3.24Å; F178-Y181 HydrophobicContact CE2-CE1 4.13Å; F178-Y181 AromaticContact CE2-CZ 3.76Å; F178-Y181 WeakPolarHBondContact CE2-OH 3.34Å; F178-Y181 HydrophobicContact CG-CE1 4.12Å; F178-Y181 HydrophobicContact CZ-CE1 4.41Å; F178-Y181 AromaticContact CZ-CZ 3.74Å; F178-Y181 WeakPolarHBondContact CZ-OH 3.34Å; S179-Y181 VanDerWaalsContact C-N 3.32Å
182S43.2Very low45.5Very low107 Ų107123.8 Ų123.875%0.74868%0.676SS**  trans173.859.7151.9-77.50000109.3S184S182-S184 PolarHBondContact O-N 3.38Å
183S42.5Very low44Very low133 Ų133127 Ų12793%0.9369%0.69SS**  trans-83.194.6146.8-82.60000107.1
184S43.8Very low42.9Very low113 Ų113128.2 Ų128.279%0.7970%0.699SS**  trans-158.2128.1145.455.50000110.8S182S182-S184 PolarHBondContact O-N 3.38Å
185T43.3Very low41.7Very low128 Ų128132 Ų13279%0.78572%0.715SS**  trans-66.2137.3174.747.30000112.1
186L38.5Very low40.8Very low162 Ų162134.5 Ų134.585%0.84873%0.73SS**  trans172.9104.2142.1-92.5146000107.8
187S39.8Very low40Very low95 Ų95136 Ų13666%0.66475%0.746SS**  75113.196.7-70.80000115.8
188K41Very low39.5Very low197 Ų197136.2 Ų136.286%0.85775%0.748SS**  trans58.1120.7135.6-65.9177.7179.5174.40119.8
189K38.4Very low39.2Very low186 Ų186137.4 Ų137.481%0.80976%0.759SS**  37.8121.9128.6-92.4178.6170.4179.60117.4
190F31.8Very low39Very low165 Ų165139.2 Ų139.272%0.72477%0.769SS**  175.9133.8105.9-109-91.7000113.2
191Q37Very low38.7Very low162 Ų162144.6 Ų144.676%0.75778%0.775SS**  trans47.8117.6143.9-75.2173.4-13.900123.7
192H33.5Very low38.5Very low165 Ų165142.9 Ų142.976%0.76478%0.783SS**  13119115.8-158.1-93.8000118
193M31.3Very low38.4Very low153 Ų153147.1 Ų147.175%0.75479%0.791SS**  trans-166.9122.4134.4-97.8-94.173.900110.2
194S34.8Very low38.7Very low83 Ų83145.8 Ų145.858%0.5879%0.788SS**  trans-64148160.958.30000110.8
195M30.9Very low38.7Very low182 Ų182146 Ų14690%0.89779%0.785SS**  -163.7143126.1-90.5-120.9-175.500111.2
196V37.5Very low38.8Very low131 Ų131147 Ų14779%0.79478%0.784SS**  trans-81.2138179.4-163.40000108.3
197T35.1Very low39Very low144 Ų144148.5 Ų148.588%0.88379%0.786SS**  trans-158.4143.5144.7-7.10000111.8
198S36.8Very low38.9Very low95 Ų95147.9 Ų147.966%0.66480%0.795SS**  trans-95.8143.3-16248.40000114.1
199L38.9Very low39.1Very low155 Ų155144.5 Ų144.581%0.81279%0.791SS**  trans52.7142.5137.7-76.6155.5000119.6
200P41.5Very low39.7Very low126 Ų126140.5 Ų140.582%0.81879%0.793SS**  -148.41706436-13.6000118.4
201Y40.8Very low40.6Very low217 Ų217142.3 Ų142.385%0.85180%0.8SS**  trans-72115.1176.4176.2-91.5000112.1
202S47.3Very low41.4Very low102 Ų102138.2 Ų138.271%0.71380%0.802SS**  trans161.793.314357.30000110.9
203Q42.2Very low42Very low196 Ų196136 Ų13692%0.91679%0.79SS**  trans17873.8149.9-100.2174.929.500107.9
204A49Very low43.2Very low105 Ų105133.5 Ų133.587%0.86878%0.783SS**  trans-97.779.9172.900000109.1
205T43.9Very low44.1Very low117 Ų117138.8 Ų138.872%0.71880%0.796SS**  trans-140.7108.4169.2-43.90000109.6
206L44.8Very low45.2Very low148 Ų148136.8 Ų136.878%0.77579%0.787SS**SBendtrans6271.4155.4-57.7173.2000118.7
207H42.5Very low45.9Very low194 Ų194135.9 Ų135.990%0.89878%0.775SS**  trans-154.375.3139.4-79.5-57.7000110.2T209H207-T209 PolarHBondContact O-N 3.06Å
208G37.8Very low46.7Very low82 Ų82136 Ų13685%0.84576%0.763SS**  trans-75.2102170.900000110.5A210G208-A210 PolarHBondContact O-N 3.25Å
209T45.6Very low47.3Very low127 Ų127140 Ų14078%0.77977%0.768SS**  trans-56.6128.2169.851.60000110.4H207 K211H207-T209 PolarHBondContact O-N 3.06Å; T209-K211 PolarHBondContact O-N 3.39Å
210A50.1Low47.8Very low102 Ų102139.3 Ų139.384%0.84376%0.764SS**SBendtrans-68.966.2-176.800000113.9G208G208-A210 PolarHBondContact O-N 3.25Å
211K52.1Low48Very low202 Ų202139.9 Ų139.988%0.87876%0.756SS**  trans-13682170.5-69-169.1179.7179.90110T209T209-K211 PolarHBondContact O-N 3.39Å
212G52Low48.3Very low76 Ų76138.9 Ų138.978%0.78476%0.756SS**  trans171.439.4176.700000115.3
213K46.8Very low48.3Very low120 Ų120139.6 Ų139.652%0.52275%0.747SS.*  trans-102.2116.5162.2-67.9-170.5179.3-175.30107.4E221K213-E221 IonicContact NZ-OE2 2.58Å
214T56.8Low48.6Very low100 Ų100139.4 Ų139.461%0.61374%0.743SS**  trans-54.8150.3173.554.70000109.7I216 Q217T214-I216 PolarHBondContact O-N 3.42Å; T214-Q217 PolarHBondContact O-N 2.98Å; T214-Q217 VanDerWaalsContact O-N 3.15Å
215K53.2Low48.6Very low193 Ų193142.9 Ų142.984%0.83974%0.741SS**THydrogen-bonded Turntrans-55.7-8.7-174.2-73.5179.4176.4177.60114.8
216I53.5Low48.5Very low141 Ų141143.7 Ų143.772%0.72375%0.746SS**THydrogen-bonded Turntrans-83-38.8-179-57.8170000111.5T214 L220T214-I216 PolarHBondContact O-N 3.42Å; I216-L220 PolarHBondContact O-N 2.78Å
217Q52.1Low48.4Very low112 Ų112143.5 Ų143.552%0.52375%0.745SS.*Hα-helixtrans-76.8-34.1178.7-92.7-179.6-19.100113.5T214 K219 L220 E221T214-Q217 PolarHBondContact O-N 2.98Å; T214-Q217 VanDerWaalsContact O-N 3.15Å; Q217-K219 VanDerWaalsContact C-N 3.27Å; Q217-K219 PolarHBondContact O-N 2.89Å; Q217-L220 PolarHBondContact O-N 3.41Å; Q217-E221 PolarHBondContact O-N 2.89Å
218K52.3Low48.7Very low146 Ų146136.8 Ų136.864%0.63573%0.729SS**Hα-helixtrans-68.8-22.2176-92.8-176.1175.4178.60113.7
219K50.7Low48.9Very low178 Ų178136.3 Ų136.377%0.77471%0.709SS**Hα-helixtrans-84.9-19.6172.7-88.4-173.3173.2-175.30113.4Q217Q217-K219 VanDerWaalsContact C-N 3.27Å; Q217-K219 PolarHBondContact O-N 2.89Å
220L48.3Very low48.7Very low141 Ų141134.9 Ų134.974%0.73869%0.693SS**Hα-helixtrans-84.5-36177.3-157.275.7000112.1I216 Q217I216-L220 PolarHBondContact O-N 2.78Å; Q217-L220 PolarHBondContact O-N 3.41Å
221E46.5Very low48.7Very low138 Ų138136.7 Ų136.765%0.64568%0.681SS**Hα-helixtrans-80.4-24.8-179.9-76-166.1151.200114.6K213 Q217 K223K213-E221 IonicContact NZ-OE2 2.58Å; Q217-E221 PolarHBondContact O-N 2.89Å; E221-K223 PolarHBondContact O-N 2.88Å
222K46.7Very low48.4Very low196 Ų196132 Ų13285%0.85267%0.665SS**THydrogen-bonded Turntrans-79.37.5177.1-82.2-166.9173.4-1700114.8
223K46.7Very low47.9Very low117 Ų117136.3 Ų136.351%0.50966%0.659SS.*THydrogen-bonded Turntrans-129.232.8180-136.4178.1-177.7176.70113.4E221 F230E221-K223 PolarHBondContact O-N 2.88Å; K223-F230 HydrophobicContact CD-CE1 4.39Å; K223-F230 HydrophobicContact CD-CE2 3.69Å; K223-F230 HydrophobicContact CD-CZ 3.54Å
224K48.5Very low47.4Very low192 Ų192138.4 Ų138.484%0.83567%0.67SS**SBendtrans-105.712.3170.6-151.5-172.3172.9-177.50113.5
225Q49.4Very low46.8Very low179 Ų179141.7 Ų141.784%0.83668%0.684SS**SBendtrans-135.1118.4171.5-104.1153.9-3.800109.9
226V42Very low46.7Very low134 Ų134136.5 Ų136.581%0.81269%0.686SS**SBendtrans85.4101168.8-163.30000115.8
227D42.7Very low46.4Very low143 Ų143140 Ų14077%0.76569%0.69SS**  trans54.9111.2156.7-62.9-14.9000120.4T229D227-T229 VanDerWaalsContact C-N 3.29Å; D227-T229 PolarHBondContact O-N 3.32Å
228G49.5Very low45.8Very low54 Ų54142.7 Ų142.756%0.55770%0.7SS**  trans-70.466.8-176.400000115.1S242G228-S242 WeakPolarHBondContact O-CA 3.48Å
229T41.9Very low45.4Very low71 Ų71138.3 Ų138.344%0.43669%0.687SS.*EExtended strand (participates in β ladder)trans-126.8112.6171-62.10000110.3D227 V240D227-T229 VanDerWaalsContact C-N 3.29Å; D227-T229 PolarHBondContact O-N 3.32Å; T229-V240 HydrophobicContact CG2-CG1 3.1Å
230F41.5Very low44.9Very low97 Ų97133.9 Ų133.943%0.42568%0.675SS.*EExtended strand (participates in β ladder)trans-97.2134.4174.9-97.4-98.7000110.2K223 R241 L243K223-F230 HydrophobicContact CD-CE1 4.39Å; K223-F230 HydrophobicContact CD-CE2 3.69Å; K223-F230 HydrophobicContact CD-CZ 3.54Å; F230-R241 PolarHBondContact N-O 3.22Å; F230-R241 PolarHBondContact O-N 3.14Å; F230-L243 HydrophobicContact CD2-CD1 4.4Å
231K49.3Very low44.9Very low140 Ų140135 Ų13561%0.60967%0.669SS**EExtended strand (participates in β ladder)trans-104.2121.7168.1-63.2-174.4-179.6173.40108.1V240K231-V240 HydrophobicContact CG-CG2 4.2Å
232I46.2Very low44.8Very low103 Ų103132.1 Ų132.153%0.52866%0.664SS.*EExtended strand (participates in β ladder)trans-106.5137.3178.6-59.1172.4000107.5
233Y40.8Very low45Very low168 Ų168127.9 Ų127.966%0.65965%0.65SS**  trans-110.9106.5177-80.9-95.7000109.3K238Y233-K238 HydrophobicContact CE1-CG 4.44Å
234E37.2Very low45Very low164 Ų164127.3 Ų127.377%0.76666%0.661SS**SBendtrans-130128.9160.1-81.2-177.5156.500106.6G236E234-G236 PolarHBondContact O-N 2.93Å
235D44.8Very low45Very low169 Ų169121.8 Ų121.890%0.90466%0.659SS**THydrogen-bonded Turntrans40.167.8170.9-63.6-12.9000117.1R237D235-R237 VanDerWaalsContact C-N 3.33Å; D235-R237 PolarHBondContact O-N 3.04Å; D235-R237 VanDerWaalsContact O-N 3.09Å
236G50.6Low44.9Very low84 Ų84118.3 Ų118.387%0.86665%0.646SS**THydrogen-bonded Turntrans74.50.7155.200000118.1E234E234-G236 PolarHBondContact O-N 2.93Å
237R45.8Very low44.9Very low215 Ų215121 Ų12181%0.81165%0.649SS**  trans-128.1132.4173.8-68.3-175.9-179.8177.90.9112.2D235 S239D235-R237 VanDerWaalsContact C-N 3.33Å; D235-R237 PolarHBondContact O-N 3.04Å; D235-R237 VanDerWaalsContact O-N 3.09Å; R237-S239 PolarHBondContact O-N 3.45Å
238K39.8Very low45.1Very low168 Ų168122.8 Ų122.873%0.7366%0.658SS**  trans-80.1116.5-175.2-62.5175.4-176.6173.30110.6Y233Y233-K238 HydrophobicContact CE1-CG 4.44Å
239S45.4Very low44.9Very low53 Ų53123.4 Ų123.437%0.37166%0.664SS.*EExtended strand (participates in β ladder)trans-110.7134.5171.9-174.50000111.2R237R237-S239 PolarHBondContact O-N 3.45Å
240V40Very low45.1Very low86 Ų86127.1 Ų127.152%0.52168%0.681SS.*EExtended strand (participates in β ladder)trans-115.9116-180-1740000107.7T229 K231T229-V240 HydrophobicContact CG2-CG1 3.1Å; K231-V240 HydrophobicContact CG-CG2 4.2Å
241R46.9Very low45.5Very low164 Ų164128.6 Ų128.662%0.61969%0.694SS**EExtended strand (participates in β ladder)trans-122.2124174.6-63.2-174.4-177.5-132.73.5109.1F230F230-R241 PolarHBondContact N-O 3.22Å; F230-R241 PolarHBondContact O-N 3.14Å
242S45.4Very low45.4Very low77 Ų77124 Ų12454%0.53868%0.677SS.*EExtended strand (participates in β ladder)trans-83.7138.3169.750.90000109.6G228G228-S242 WeakPolarHBondContact O-CA 3.48Å
243L51.5Low45.6Very low107 Ų107123.3 Ų123.356%0.5667%0.673SS**  trans-96.28.7179.5-71.4175.4000113F230 G245 L246F230-L243 HydrophobicContact CD2-CD1 4.4Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 PolarHBondContact O-N 2.92Å; L243-L246 HydrophobicContact CD2-CD1 3.88Å
244S45.4Very low45.8Very low106 Ų106121.5 Ų121.574%0.74167%0.668SS**THydrogen-bonded Turntrans-72.285.1175.745.60000109.9
245G49.7Very low46.4Very low76 Ų76118 Ų11878%0.78466%0.658SS**THydrogen-bonded Turntrans156.1-4.917300000117L243 Q247L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 PolarHBondContact O-N 2.92Å; G245-Q247 PolarHBondContact O-N 2.95Å
246L46.1Very low46.3Very low106 Ų106118.3 Ų118.356%0.55565%0.651SS**  trans-89.492.1-179-87.4152.4000111.4L243 L248 M253L243-L246 HydrophobicContact CD2-CD1 3.88Å; L246-L248 PolarHBondContact O-N 2.97Å; L246-M253 HydrophobicContact CD2-CE 4.32Å; L246-M253 HydrophobicContact CD2-SD 3.99Å
247Q42Very low46Very low190 Ų190121.9 Ų121.989%0.88865%0.645SS**  trans-71116167-149.6160.92.300108G245 G249G245-Q247 PolarHBondContact O-N 2.95Å; Q247-G249 PolarHBondContact O-N 3.46Å
248L47.8Very low46.3Very low181 Ų181115 Ų11595%0.94864%0.642SS**THydrogen-bonded Turntrans-61.1107.1172.4-101.483.9000107.9L246L246-L248 PolarHBondContact O-N 2.97Å
249G44.6Very low46.5Very low66 Ų66113 Ų11368%0.6864%0.643SS**THydrogen-bonded Turntrans177.1-18175.200000118.3Q247Q247-G249 PolarHBondContact O-N 3.46Å
250N46.2Very low46.5Very low149 Ų149120.5 Ų120.580%0.79767%0.665SS**  trans-131.7128.1-174-68.4-18.5000111.8V252N250-V252 PolarHBondContact O-N 3.32Å
251D49.6Very low46.5Very low129 Ų129120.9 Ų120.969%0.6968%0.678SS**SBendtrans-69.925.2-177.8-73.1-38.2000114.7F320D251-F320 VanDerWaalsContact O-CD1 3.3Å; D251-F320 WeakPolarHBondContact O-CD1 3.36Å
252V46.9Very low45.9Very low44 Ų44118.4 Ų118.427%0.26769%0.685SS.*EExtended strand (participates in β ladder)trans-132.6118.7-169.5-173.10000110.1N250 F254 M318 F320N250-V252 PolarHBondContact O-N 3.32Å; V252-F254 HydrophobicContact CG1-CE2 4.12Å; V252-F254 HydrophobicContact CG1-CZ 4.36Å; V252-M318 HydrophobicContact CG1-CE 3.44Å; V252-M318 VanDerWaalsContact CG1-CE 3.44Å; V252-M318 HydrophobicContact CG1-CG 3.37Å; V252-M318 HydrophobicContact CG1-SD 3.3Å; V252-M318 WeakPolarHBondContact CG1-SD 3.24Å; V252-F320 HydrophobicContact CG2-CD1 4.06Å; V252-F320 HydrophobicContact CG2-CE1 3.51Å; V252-F320 HydrophobicContact CG2-CZ 4.27Å
253M50.6Low45.6Very low87 Ų87121 Ų12143%0.42970%0.7SS.*EExtended strand (participates in β ladder)trans-106.5133174.9-66.8-72.9-66.200110.6L246 V319L246-M253 HydrophobicContact CD2-CE 4.32Å; L246-M253 HydrophobicContact CD2-SD 3.99Å; M253-V319 PolarHBondContact N-O 3.41Å; M253-V319 PolarHBondContact O-N 3.3Å
254F45.2Very low44.9Very low130 Ų130124.9 Ų124.957%0.5771%0.712SS**EExtended strand (participates in β ladder)trans-101.9127.8173.7-65.7-92000110.6V252 M318V252-F254 HydrophobicContact CG1-CE2 4.12Å; V252-F254 HydrophobicContact CG1-CZ 4.36Å; F254-M318 HydrophobicContact CD1-CE 3.87Å; F254-M318 HydrophobicContact CE1-CE 3.07Å; F254-M318 HydrophobicContact CE2-CE 4.09Å; F254-M318 HydrophobicContact CZ-CE 3.21Å
255V50.2Low44.4Very low91 Ų91127.9 Ų127.955%0.55272%0.715SS**EExtended strand (participates in β ladder)trans-111.299.1179.2-179.30000110.7Q257 G316 T317V255-Q257 PolarHBondContact O-N 2.86Å; V255-G316 WeakPolarHBondContact O-CA 3.32Å; V255-T317 PolarHBondContact N-O 3.21Å
256K42.8Very low43.4Very low175 Ų175136.7 Ų136.776%0.76173%0.725SS**  trans-65.8124.7-179.5-170174.5-179.1175.40111.8G258K256-G258 PolarHBondContact O-N 3.16Å
257Q44.4Very low42.8Very low159 Ų159137.8 Ų137.874%0.74374%0.736SS**THydrogen-bonded Turntrans-61.5120169.1-119.995.63.500109.2V255V255-Q257 PolarHBondContact O-N 2.86Å
258G51.8Low42.7Very low71 Ų71139.4 Ų139.473%0.73273%0.734SS**THydrogen-bonded Turntrans147.83.117100000118.8K256K256-G258 PolarHBondContact O-N 3.16Å
259T44.3Very low42Very low125 Ų125142.9 Ų142.977%0.76773%0.734SS**  trans-101.820.1-178.646.90000115.8
260Y44.7Very low41.4Very low212 Ų212147 Ų14783%0.83174%0.741SS**  trans-125.673.2169.4-82.4-88.1000110.4
261A40.8Very low40.8Very low94 Ų94147.7 Ų147.778%0.77774%0.743SS**  trans-148120.1161.700000108.9
262S34.1Very low40.1Very low112 Ų112152.1 Ų152.178%0.78375%0.75SS**  trans-78.9143.5172.6500000110.7K264S262-K264 PolarHBondContact O-N 3.04Å
263P38.3Very low39.3Very low130 Ų130155.3 Ų155.384%0.84477%0.766SS**  trans-84.4103.6177.231.8-29.7000110.8
264K38.5Very low38.2Very low189 Ų189158.1 Ų158.182%0.82278%0.779SS**  trans-138.4133.1147.4-97.5-175.3175.1-175.90107.1S262S262-K264 PolarHBondContact O-N 3.04Å
265E33.1Very low37.6Very low169 Ų169160.2 Ų160.279%0.7979%0.789SS**  trans78.873.1171.6-63.6166.3-164.400116.5
266W30.5Very low36.8Very low262 Ų262162.6 Ų162.699%0.99280%0.797SS**  trans-91.6100138.8-86.96.5000108.5
267T32.9Very low36.2Very low129 Ų129159.8 Ų159.879%0.79180%0.795SS**  trans-96.997.4159.1-8.90000107.6
268R38.8Very low35.7Very low224 Ų224158.8 Ų158.885%0.84580%0.795SS**  trans8.8119.8157-63.3-179.4175.9-164.8-2.1116.4
269R33.1Very low34.8Very low253 Ų253162.9 Ų162.996%0.95580%0.795SS**  trans-139126.1132.5-72.7-162.2173.6175.3-2.5111.3
270N32.7Very low34.4Very low153 Ų153162.7 Ų162.782%0.81879%0.789SS**  trans-73.1152.3-179.4-81.3-36.8000111.5
271I34.1Very low33.9Very low164 Ų164158.1 Ų158.184%0.84178%0.784SS**  trans-87146.7160.1-67.7165.1000108.2
272R33.8Very low33.4Very low221 Ų221159.5 Ų159.583%0.83478%0.782SS**  trans106.2136.4-175.6-72.1-174.5172.6179.9-3.9111.7
273D30.9Very low33.3Very low112 Ų112159 Ų15960%0.59978%0.778SS**  cis-165.6144.19.7-128.6-17.6000106.3
274M28Very low32.9Very low146 Ų146164.2 Ų164.272%0.71978%0.781SS**  64.3117.4111.3-88-172.1-152.500118.4
275F32.5Very low32.4Very low174 Ų174159.3 Ų159.376%0.76378%0.776SS**  trans79116.9153-67.1-74.1000121.6
276L33.6Very low32.2Very low140 Ų140158.7 Ų158.773%0.73378%0.776SS**  42.4125.4126.5-98.7140.7000120.6
277T30.2Very low32.1Very low116 Ų116151.3 Ų151.371%0.71276%0.764SS**  156.1128.5108.146.80000112.5
278D32.5Very low32.1Very low138 Ų138152.6 Ų152.674%0.73877%0.766SS**  trans56.8131.5133.8-66.4-5.1000125
279E33.1Very low32.3Very low157 Ų157147.3 Ų147.373%0.73476%0.761SS**  trans77.3121.4132.2-62.4-87.9123.500121
280D35.9Very low32Very low121 Ų121138.6 Ų138.665%0.64775%0.75SS**  80.6113.9129.3-862.3000123.9
281T34.2Very low31.9Very low117 Ų117139.4 Ų139.472%0.71875%0.753SS**  102.8135.7118.466.40000122.2
282V31.5Very low31.6Very low123 Ų123139.5 Ų139.575%0.74575%0.75SS**  trans91.396.7148-1610000120.6
283S31.9Very low31.5Very low100 Ų100135.6 Ų135.670%0.69974%0.743SS**  63.3128.3122.9-51.70000124.6
284R30.1Very low31.3Very low241 Ų241137.2 Ų137.291%0.90975%0.752SS**  55119.5129.2-70.8-177.7174.6-171.9-1.5119.5
285A28.1Very low31.6Very low86 Ų86134.9 Ų134.971%0.71175%0.75SS**  159.3130.493.900000113.5
286I28.8Very low31.5Very low156 Ų156130.3 Ų130.380%0.874%0.744SS**  trans68.1118.9132.2-65.8170.3000121.3
287S28.3Very low31.2Very low106 Ų106131.5 Ų131.574%0.74175%0.745SS**  trans67.7106.6146.764.70000123.3
288D31.5Very low31.1Very low156 Ų156132.1 Ų132.183%0.83475%0.754SS**  28.8157124-12616.1000121.6
289P43.4Very low31.1Very low114 Ų114133.7 Ų133.774%0.7476%0.757SS**  cis-137.5160.9-1.638.1-18.9000116.3
290G26.7Very low30.9Very low69 Ų69132.4 Ų132.471%0.71176%0.76SS**  trans149130.7156.500000117.5
291L30.9Very low30.6Very low170 Ų170131.8 Ų131.889%0.8977%0.765SS**  trans72.6111.8155.8-56.1176.6000119.6
292H28.6Very low30.7Very low166 Ų166133.1 Ų133.177%0.76977%0.773SS**  63.8116.8128.2-132.8-74.4000120.9
293M30.7Very low30.8Very low139 Ų139134.4 Ų134.469%0.68578%0.776SS**  trans69.9121.6149.3-83.5-73.9169.700120.8
294D26.1Very low31Very low147 Ų147135.1 Ų135.179%0.78678%0.781SS**  -172.1130.9101.4-91.5-25.3000108.5
295S35.7Very low31.8Very low97 Ų97126.3 Ų126.368%0.67877%0.765SS**  65.9108.172.7-167.10000113
296A29.8Very low32.3Very low77 Ų77131.3 Ų131.364%0.63677%0.773SS**  trans171.2132.3157.500000108
297H27.3Very low33.1Very low166 Ų166131 Ų13177%0.76977%0.774SS**  cis-168.5141.5-8.1-86.7-68.3000104
298S28.4Very low34.4Very low129 Ų129129.7 Ų129.790%0.90276%0.764SS**  trans-160106133.6-143.10000109.3
299E31.3Very low35.4Very low170 Ų170128.3 Ų128.379%0.79476%0.756SS**  trans-93.6155.7166-63.5-176.2154.200109.4
300V29Very low35.8Very low131 Ų131129.3 Ų129.379%0.79475%0.749SS**  trans128.189.4158.5163.70000110.1
301S30.8Very low37Very low107 Ų107132.7 Ų132.775%0.74875%0.751SS**  77.2106.979.1-69.40000113.4
302T35.2Very low38.1Very low146 Ų146133 Ų13390%0.89674%0.74SS**  trans-132.5119.2133.148.10000110.3
303D33.9Very low39Very low149 Ų149131.6 Ų131.680%0.79775%0.746SS**  trans-51125.5170.7173.220.5000113.3G305D303-G305 PolarHBondContact OD1-N 2.87Å
304S35.9Very low40.1Very low116 Ų116128.7 Ų128.781%0.81175%0.751SS**  trans-141.884.8141.154.20000108.7H306S304-H306 PolarHBondContact O-N 2.78Å
305G46.6Very low41.3Very low56 Ų56126.2 Ų126.258%0.57774%0.737SS**  trans-56.396.9-178.100000115.8D303D303-G305 PolarHBondContact OD1-N 2.87Å
306H39.6Very low42.3Very low190 Ų190122.1 Ų122.188%0.8871%0.711SS**  trans-139.578.5147.4-81.8-66.8000110.1S304 S308S304-H306 PolarHBondContact O-N 2.78Å; H306-S308 PolarHBondContact O-N 2.9Å
307D45.8Very low43.3Very low151 Ų151122.7 Ų122.781%0.80771%0.706SS**  trans-59119.5160-82.6-28.4000108.7L309D307-L309 PolarHBondContact O-N 3.47Å; D307-L309 VanDerWaalsContact O-N 3.15Å
308S55.3Low44.1Very low78 Ų78117.6 Ų117.655%0.54568%0.684SS.*  trans-52.9122.5175.4-140.90000108.7H306 F310 N311H306-S308 PolarHBondContact O-N 2.9Å; S308-F310 PolarHBondContact O-N 3.2Å; S308-N311 PolarHBondContact O-N 3.46Å
309L52.7Low45.1Very low127 Ų127115.6 Ų115.667%0.66567%0.666SS**THydrogen-bonded Turntrans-53.6-11.6-172-71.8167.3000114.8D307D307-L309 PolarHBondContact O-N 3.47Å; D307-L309 VanDerWaalsContact O-N 3.15Å
310F51.4Low45.7Very low135 Ų135114.1 Ų114.159%0.59266%0.657SS**THydrogen-bonded Turntrans-86.7-5.8179.2-57.9-71000114.7S308S308-F310 PolarHBondContact O-N 3.2Å
311N51.9Low46.4Very low139 Ų139117.6 Ų117.674%0.74366%0.656SS**  trans-11110.6-177.3-72.9-5.4000114.5S308S308-N311 PolarHBondContact O-N 3.46Å
312R54.9Low46.8Very low178 Ų178123.6 Ų123.667%0.67266%0.662SS**SBendtrans-69.8131.7174.5-81.6-168.9172.6-167.7-1.4111.4G314 L315R312-G314 PolarHBondContact O-N 2.89Å; R312-G314 VanDerWaalsContact O-N 3.08Å; R312-L315 PolarHBondContact O-N 3.4Å; R312-L315 VanDerWaalsContact O-N 3.14Å
313P47.9Very low46.9Very low136 Ų136123.4 Ų123.488%0.88366%0.655SS**THydrogen-bonded Turntrans-62.1117.5177.325-31000109.4
314G53.2Low47.8Very low78 Ų78126.5 Ų126.580%0.80466%0.658SS**THydrogen-bonded Turntrans112.2-13.3-179.600000115.5R312R312-G314 PolarHBondContact O-N 2.89Å; R312-G314 VanDerWaalsContact O-N 3.08Å
315L51.5Low47.7Very low94 Ų94127.9 Ų127.949%0.49266%0.661SS.*  trans-104.293.4174.7-157.176.7000109.4R312R312-L315 PolarHBondContact O-N 3.4Å; R312-L315 VanDerWaalsContact O-N 3.14Å
316G55.4Low47.1Very low11 Ų11131 Ų13111%0.11367%0.674CS.*PPolyproline II helixtrans-56.6153.8-179.100000114.8V255 M318V255-G316 WeakPolarHBondContact O-CA 3.32Å; G316-M318 PolarHBondContact O-N 3.38Å
317T51.3Low46.6Very low89 Ų89128 Ų12855%0.54667%0.674SS.*EExtended strand (participates in β ladder)trans-57.3132-178.7-47.20000112V255V255-T317 PolarHBondContact N-O 3.21Å
318M45.2Very low46Very low60 Ų60124.3 Ų124.330%0.29667%0.672SS.*EExtended strand (participates in β ladder)trans-91.8127.6-179-174.5168.8-72.300110.8V252 F254 G316 F320V252-M318 HydrophobicContact CG1-CE 3.44Å; V252-M318 VanDerWaalsContact CG1-CE 3.44Å; V252-M318 HydrophobicContact CG1-CG 3.37Å; V252-M318 HydrophobicContact CG1-SD 3.3Å; V252-M318 WeakPolarHBondContact CG1-SD 3.24Å; F254-M318 HydrophobicContact CD1-CE 3.87Å; F254-M318 HydrophobicContact CE1-CE 3.07Å; F254-M318 HydrophobicContact CE2-CE 4.09Å; F254-M318 HydrophobicContact CZ-CE 3.21Å; G316-M318 PolarHBondContact O-N 3.38Å; M318-F320 HydrophobicContact CG-CE2 4.38Å; M318-F320 HydrophobicContact SD-CE2 4.48Å; M318-F320 HydrophobicContact SD-CZ 4.18Å
319V49.3Very low45.2Very low86 Ų86128.5 Ų128.552%0.52169%0.687SS.*EExtended strand (participates in β ladder)trans-129.7127.9-179.4-176.90000110.6M253M253-V319 PolarHBondContact N-O 3.41Å; M253-V319 PolarHBondContact O-N 3.3Å
320F43.1Very low44.2Very low139 Ų139133.2 Ų133.261%0.6170%0.703SS**EExtended strand (participates in β ladder)trans-92.7141.6176.4-62.4-88.7000111.3D251 V252 M318D251-F320 VanDerWaalsContact O-CD1 3.3Å; D251-F320 WeakPolarHBondContact O-CD1 3.36Å; V252-F320 HydrophobicContact CG2-CD1 4.06Å; V252-F320 HydrophobicContact CG2-CE1 3.51Å; V252-F320 HydrophobicContact CG2-CZ 4.27Å; M318-F320 HydrophobicContact CG-CE2 4.38Å; M318-F320 HydrophobicContact SD-CE2 4.48Å; M318-F320 HydrophobicContact SD-CZ 4.18Å
321R43.7Very low43.1Very low204 Ų204130 Ų13077%0.7771%0.708SS**PPolyproline II helixtrans-89.2141.6175.4-79.1-174.3177.4-119.9-0.1111.6
322R38.8Very low42.1Very low233 Ų233132 Ų13288%0.87972%0.717SS**PPolyproline II helixtrans-97.8117.3168-164.9166.7-177.2159.2-0.7109
323N37.1Very low40.8Very low142 Ų142126.9 Ų126.976%0.75972%0.719SS**PPolyproline II helixtrans-91.1140.8178.6-93.7-7.5000112.3
324Y52.3Low39.8Very low215 Ų215131.3 Ų131.384%0.84372%0.718SS**PPolyproline II helixtrans-101.7142.5174.1-74-98000110.3
325V34.7Very low38.7Very low145 Ų145135.2 Ų135.288%0.87972%0.716SS**  trans-154.1126154.2-109.10000113.3
326S33.5Very low37.6Very low121 Ų121137.1 Ų137.185%0.84673%0.727SS**  trans71.699.6143.5-148.20000121.4
327S29.8Very low36.3Very low126 Ų126142.9 Ų142.988%0.88176%0.759SS**  trans-147.7122.3132.2-164.90000110
328G33.1Very low35.1Very low75 Ų75141.8 Ų141.877%0.77377%0.766SS**  trans-89.9176.5-172.600000114.1
329L38.4Very low34.3Very low166 Ų166145 Ų14587%0.86979%0.789SS**  trans-106.3124.6-168.4-172.183.2000110.9
330F31.2Very low33.2Very low225 Ų225149.2 Ų149.299%0.98781%0.808SS**  trans-176.6143.1153.6-85.9-72.4000105.4
331G28.7Very low32.5Very low68 Ų68146.4 Ų146.470%0.70182%0.818SS**  cis163.7125.93.300000107.3
332I30.3Very low31.7Very low181 Ų181146.6 Ų146.693%0.92883%0.828SS**  trans18.5122.7150.1-55.8168.3000119.9
333G27.4Very low31.1Very low70 Ų70139.3 Ų139.372%0.72283%0.825SS**  108.8127120.700000122.3
334R28.2Very low30.6Very low229 Ų229140.6 Ų140.686%0.86483%0.832SS**  trans92118.8150.2-84167.572168.90.5122.2
335E29.6Very low29.5Very low160 Ų160134.2 Ų134.275%0.74882%0.824SS**  trans29134.4132.3-62.3174.6172.100118.4
336D27.5Very low29.1Very low135 Ų135135.4 Ų135.472%0.72283%0.825SS**  -173.2153.653.6-126.5-16.2000111.9
337T28.6Very low28.9Very low131 Ų131132.7 Ų132.780%0.80482%0.816SS**  trans52.2131.6150.264.70000124
338G27.1Very low28.9Very low67 Ų67134.3 Ų134.369%0.69182%0.82SS**  trans128.890.8137.400000120.3
339T27Very low28.6Very low127 Ų127133.7 Ų133.778%0.77981%0.814SS**  57.5114.9124.6-40.60000122.8
340L27.8Very low28.3Very low175 Ų175132.7 Ų132.792%0.91682%0.815SS**  trans52.3136.4140.9-57.1170.1000122.8
341G27.3Very low28.2Very low79 Ų79131.1 Ų131.181%0.81481%0.807SS**  trans147.2110.9144.600000117
342E26.6Very low28.2Very low208 Ų208136.3 Ų136.397%0.97282%0.818SS**  trans-62.8157.2162.9-70.6171.5115.500112.9
343G27.2Very low28.1Very low80 Ų80136.6 Ų136.683%0.82581%0.808SS**  trans163130162.100000116.1
344N25.9Very low28.3Very low169 Ų169139.4 Ų139.490%0.90482%0.816SS**  trans-80.1161.4-172.6-99.1-24.2000116.5
345A29.3Very low28.3Very low82 Ų82136.6 Ų136.668%0.67881%0.805SS**  trans8313213800000123.4
346D27.5Very low28.2Very low170 Ų170137.1 Ų137.191%0.90981%0.812SS**  trans60.4136.3146.2-64.2-18.7000121
347G28.3Very low28.3Very low63 Ų63137 Ų13765%0.64981%0.807SS**  cis169.4176.33.100000111.7
348V30.6Very low28.1Very low160 Ų160142.4 Ų142.497%0.9781%0.813SS**  trans83129.3165.5-162.70000117.1
349G27Very low28.1Very low62 Ų62144 Ų14464%0.63981%0.814SS**  cis-165163.23.800000107.7
350V31Very low29.1Very low146 Ų146143.7 Ų143.789%0.88581%0.814SS**  -162.5132.964.6169.50000109.1
351K29.2Very low29.1Very low191 Ų191140.5 Ų140.583%0.8381%0.806SS**  trans-91146170.9-85.5170.6173.4164.50110.4
352L29.5Very low29.3Very low178 Ų178144.2 Ų144.293%0.93281%0.806SS**  trans-129.5114.9150-121.1141.9000108.7
353R28.7Very low29.8Very low187 Ų187140.2 Ų140.271%0.70679%0.792SS**  trans-108129-178.7-142-172.1-172-147.43.4105.9
354S30.7Very low30Very low128 Ų128144.3 Ų144.390%0.89580%0.795SS**  trans-120118.4160.856.10000108.9
355R29Very low31.1Very low171 Ų171141.4 Ų141.465%0.64579%0.788SS**  trans-112.7132.1-176.7-156.8-170.4-153.9-154.62.3106.8
356L27.3Very low31.4Very low170 Ų170146 Ų14689%0.8980%0.799SS**  trans-150.786.8158.2-96.7158.8000104.6
357Q28Very low31.8Very low133 Ų133141.3 Ų141.362%0.62179%0.79SS**  49.7110.787.8-73.4-71.310.600113.4
358R25.1Very low32.4Very low244 Ų244142.7 Ų142.792%0.92179%0.79SS**  trans-137.5122.8169.8-162.7-176.9-156.1-143.94.9108.2
359S27.8Very low33.1Very low102 Ų102139 Ų13971%0.71378%0.777SS**  trans-177.5164.2164.356.60000109
360P48.1Very low34Very low120 Ų120142.3 Ų142.378%0.77978%0.78SS**  cis-137.5166.6-31.334.2-16.2000113.2
361S27.6Very low34.5Very low108 Ų108138.6 Ų138.676%0.75576%0.76SS**  trans-173.3106.9152.258.40000108.9
362L30.8Very low35.2Very low156 Ų156134.8 Ų134.882%0.81775%0.748SS**  86.4103.793.3-93.6160.7000112.7
363N37.6Very low35.9Very low124 Ų124133.6 Ų133.666%0.66374%0.738SS**  trans41.7119.5144.848.8-25.4000121.7
364D30.7Very low36.7Very low167 Ų167132.3 Ų132.389%0.89374%0.74SS**  -147.8131.1104.5-115.1-16000113
365S49.4Very low37.1Very low108 Ų108134.3 Ų134.376%0.75573%0.728SS**  trans-98.7114.2177155.70000107.2
366I36.2Very low37.6Very low179 Ų179132.4 Ų132.492%0.91873%0.73SS**  trans-167.5128.9151-114.6162000110.1
367G35.8Very low38.4Very low70 Ų70128.2 Ų128.272%0.72272%0.721SS**  trans14879170.200000113.7
368S40.4Very low39.2Very low92 Ų92129.9 Ų129.964%0.64373%0.728SS**  trans-45.9144.7177.5-59.60000115N370 S371S368-N370 PolarHBondContact O-N 3.39Å; S368-S371 PolarHBondContact O-N 2.9Å; S368-S371 VanDerWaalsContact O-N 3.12Å
369A45.7Very low40.2Very low83 Ų83126.7 Ų126.769%0.68672%0.724SS**G310 helixtrans-59.3-7.7179.400000115.7
370N44.4Very low41Very low132 Ų132127.7 Ų127.771%0.70672%0.72SS**G310 helixtrans-85-13.8175.5-76.311.3000113.8S368 L372S368-N370 PolarHBondContact O-N 3.39Å; N370-L372 VanDerWaalsContact C-N 3.31Å; N370-L372 PolarHBondContact O-N 3.33Å
371S42.9Very low40.8Very low68 Ų68127.8 Ų127.848%0.47672%0.721SS.*G310 helixtrans-87.13.5-178.8-51.40000114.3S368 R375S368-S371 PolarHBondContact O-N 2.9Å; S368-S371 VanDerWaalsContact O-N 3.12Å; S371-R375 PolarHBondContact O-NE 2.76Å; S371-R375 VanDerWaalsContact O-NE 3.14Å
372L42.5Very low41.4Very low110 Ų110133.5 Ų133.558%0.57673%0.726SS**THydrogen-bonded Turntrans-97.8-22.5168.3-80.3172.7000112.5N370 N376N370-L372 VanDerWaalsContact C-N 3.31Å; N370-L372 PolarHBondContact O-N 3.33Å; L372-N376 PolarHBondContact O-N 3.08Å
373Q46.2Very low41.9Very low153 Ų153132.7 Ų132.772%0.71572%0.723SS**THydrogen-bonded Turntrans-72-38.6178.8-146.996-0.300111.4N376Q373-N376 PolarHBondContact O-N 3.35Å
374E43.7Very low42.3Very low160 Ų160135.7 Ų135.775%0.74873%0.733SS**G310 helixtrans-78.5-19178-90176.3160.600113.9
375R40Very low42.9Very low171 Ų171133.3 Ų133.365%0.64572%0.724SS**G310 helixtrans-85.6-8.4171.8-73.5-169-71.6169.2-0.8114S371 A377S371-R375 PolarHBondContact O-NE 2.76Å; S371-R375 VanDerWaalsContact O-NE 3.14Å; R375-A377 VanDerWaalsContact C-N 3.34Å
376N39.1Very low42.9Very low130 Ų130136.7 Ų136.770%0.69573%0.728SS**G310 helixtrans-91.83.1168.9-88.5-16.2000112.5L372 Q373L372-N376 PolarHBondContact O-N 3.08Å; Q373-N376 PolarHBondContact O-N 3.35Å
377A44.9Very low43.1Very low83 Ų83134.1 Ų134.169%0.68672%0.716SS**SBendtrans-93.8-11.1175.100000113.4R375R375-A377 VanDerWaalsContact C-N 3.34Å
378E43.2Very low43.3Very low168 Ų168134 Ų13479%0.78572%0.715SS**SBendtrans-98103.6170.2-78.6177.9163.600108.7
379E47.8Very low43.4Very low176 Ų176135.4 Ų135.482%0.82271%0.714SS**  trans28.895.9160.3-77170159.100116.3P381E379-P381 WeakPolarHBondContact O-CD 3.35Å
380L43Very low43.3Very low123 Ų123137.5 Ų137.564%0.64471%0.714SS**  trans-48.8127.1156.6-74.7162.8000108.8W382L380-W382 CarbonylContact O-C 3.51Å; L380-W382 PolarHBondContact O-N 3.43Å
381P44Very low43.4Very low123 Ų123137.6 Ų137.680%0.79971%0.714SS**SBendtrans-68.926.6178-2133.4000115.3E379 D383E379-P381 WeakPolarHBondContact O-CD 3.35Å; P381-D383 PolarHBondContact O-N 2.93Å
382W41.2Very low43.8Very low227 Ų227141.8 Ų141.886%0.8673%0.731SS**  trans-90.364.6154.3-49.6100.7000106L380 E384L380-W382 CarbonylContact O-C 3.51Å; L380-W382 PolarHBondContact O-N 3.43Å; W382-E384 PolarHBondContact O-N 3.1Å
383D40Very low44.2Very low139 Ų139143.5 Ų143.574%0.74374%0.741SS**  trans-44.5131.3146.9-99.5-27.7000105.9P381 V385P381-D383 PolarHBondContact O-N 2.93Å; D383-V385 PolarHBondContact O-N 2.88Å
384E46.8Very low44.6Very low188 Ų188143.6 Ų143.688%0.87974%0.741SS**  trans-44.680.4172-65.1167.9151.900110.3W382 E386W382-E384 PolarHBondContact O-N 3.1Å; E384-E386 PolarHBondContact O-N 3.2Å
385V43.5Very low45Very low117 Ų117140.3 Ų140.371%0.70973%0.734SS**  trans-71.588.2139.7-174.90000102D383 L387D383-V385 PolarHBondContact O-N 2.88Å; V385-L387 HydrophobicContact CG1-CD2 4.37Å; V385-L387 PolarHBondContact O-N 3.04Å
386E49.3Very low46.1Very low178 Ų178139.9 Ų139.983%0.83275%0.745SS**  trans-4585.6148.4-167.4173.4-152.900104.9E384 G388E384-E386 PolarHBondContact O-N 3.2Å; E386-G388 PolarHBondContact O-N 3.38Å
387L39.9Very low47.4Very low126 Ų126137.4 Ų137.466%0.6673%0.734SS**  trans-57.1107.8162.7-74.2169.2000100.9V385 L389V385-L387 HydrophobicContact CG1-CD2 4.37Å; V385-L387 PolarHBondContact O-N 3.04Å; L387-L389 HydrophobicContact CB-CG 4.1Å; L387-L389 PolarHBondContact O-N 2.89Å
388G41.5Very low49.3Very low68 Ų68135.5 Ų135.570%0.70172%0.716SS**  trans-62.960.7162.800000108.9E386 D390E386-G388 PolarHBondContact O-N 3.38Å; G388-D390 VanDerWaalsContact C-N 3.27Å; G388-D390 PolarHBondContact O-N 3.2Å
389L41.9Very low51.3Low121 Ų121131.3 Ų131.363%0.63470%0.703SS**  trans-64.2105.7141.1-58.6178.6000101.7L387 D391L387-L389 HydrophobicContact CB-CG 4.1Å; L387-L389 PolarHBondContact O-N 2.89Å; L389-D391 PolarHBondContact O-N 3.05Å
390D43.8Very low53.2Low126 Ų126123.1 Ų123.167%0.67467%0.665SS**  trans-55.395.6163.7-68-40.6000105.7G388 D392 D393G388-D390 VanDerWaalsContact C-N 3.27Å; G388-D390 PolarHBondContact O-N 3.2Å; D390-D392 PolarHBondContact O-N 3.32Å; D390-D393 PolarHBondContact O-N 3.36Å
391D46.3Very low55.3Low135 Ų135119.4 Ų119.472%0.72264%0.644SS**G310 helixtrans-63-1.4176.9-78-28.1000111.5L389 D393L389-D391 PolarHBondContact O-N 3.05Å; D391-D393 VanDerWaalsContact C-N 3.25Å; D391-D393 PolarHBondContact O-N 3.12Å
392D51.1Low57.4Low155 Ų155117 Ų11783%0.82963%0.628SS**G310 helixtrans-73.5-9.9173-70.7-32.7000113.8D390D390-D392 PolarHBondContact O-N 3.32Å
393D51.9Low59.7Low146 Ų146107 Ų10778%0.78159%0.59SS**G310 helixtrans-116.78.5-177.6-93.1-20.2000114.4D390 D391 P395D390-D393 PolarHBondContact O-N 3.36Å; D391-D393 VanDerWaalsContact C-N 3.25Å; D391-D393 PolarHBondContact O-N 3.12Å; D393-P395 WeakPolarHBondContact O-CD 3.45Å
394E53.4Low62.1Low155 Ų155100.4 Ų100.472%0.72456%0.555SS**SBendtrans-72.4113.1163.6-132.2-169.4-167.800107.3D396E394-D396 PolarHBondContact O-N 2.66Å
395P53.3Low64.1Low91 Ų9194.2 Ų94.259%0.59154%0.536SS*.  trans-61.4122.7170.426.5-31000105.9D393 T397D393-P395 WeakPolarHBondContact O-CD 3.45Å; P395-T397 HydrophobicContact CB-CG2 4.03Å; P395-T397 HydrophobicContact CG-CG2 3.9Å; P395-T397 PolarHBondContact O-N 2.66Å; P395-T397 PolarHBondContact O-OG1 2.97Å
396D61.3Low66.2Low163 Ų16392.4 Ų92.487%0.87253%0.529SS*.  trans-53.774.7165.7-75.5-38.3000109.1E394 S398E394-D396 PolarHBondContact O-N 2.66Å; D396-S398 PolarHBondContact O-N 3.38Å
397T67.8Low68Low78 Ų7885.5 Ų85.548%0.47950%0.497SS..  trans-79.9101.4-176.543.40000105.3P395P395-T397 HydrophobicContact CB-CG2 4.03Å; P395-T397 HydrophobicContact CG-CG2 3.9Å; P395-T397 PolarHBondContact O-N 2.66Å; P395-T397 PolarHBondContact O-OG1 2.97Å
398S83.3Confident70.2Confident42 Ų4287.4 Ų87.429%0.29450%0.503SS..  trans-54.7139.1179.8173.50000108.9D396 L400 E401 T402D396-S398 PolarHBondContact O-N 3.38Å; S398-L400 PolarHBondContact O-N 3.23Å; S398-L400 PolarHBondContact OG-N 2.89Å; S398-E401 PolarHBondContact N-OE2 3Å; S398-E401 WeakPolarHBondContact O-CA 3.46Å; S398-E401 WeakPolarHBondContact O-CB 3.48Å; S398-E401 PolarHBondContact O-N 2.89Å; S398-T402 PolarHBondContact O-N 2.93Å
399P86.2Confident72.3Confident81 Ų8184.7 Ų84.753%0.52647%0.472SS..Hα-helixtrans-51.2-27.2175-29.635.4000113.7T402 F403 L423P399-T402 PolarHBondContact O-OG1 3.18Å; P399-F403 VanDerWaalsContact O-CB 3.3Å; P399-F403 WeakPolarHBondContact O-CB 3.41Å; P399-F403 PolarHBondContact O-N 3.47Å; P399-F403 VanDerWaalsContact O-N 3.12Å; P399-L423 HydrophobicContact CB-CD2 3.93Å
400L87.4Confident74.4Confident4 Ų485.4 Ų85.42%0.02147%0.47CS..Hα-helixtrans-67.6-41173-179.767.2000112.7S398 F403 L404 L416 I421 L423 L426S398-L400 PolarHBondContact O-N 3.23Å; S398-L400 PolarHBondContact OG-N 2.89Å; L400-F403 PolarHBondContact O-N 3.21Å; L400-L404 HydrophobicContact CD1-CD1 3.99Å; L400-L404 HydrophobicContact CD1-CG 4.37Å; L400-L404 HydrophobicContact CG-CD1 3.96Å; L400-L404 WeakPolarHBondContact O-CB 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.16Å; L400-L404 PolarHBondContact O-N 2.92Å; L400-L416 HydrophobicContact CD1-CD1 4.47Å; L400-L416 HydrophobicContact CD2-CB 4.22Å; L400-I421 WeakPolarHBondContact CD2-O 3.48Å; L400-L423 HydrophobicContact CB-CB 4.38Å; L400-L423 HydrophobicContact CD1-CD1 4.45Å; L400-L426 HydrophobicContact CD1-CD2 3.72Å
401E88Confident76.4Confident44 Ų4485.7 Ų85.721%0.20647%0.467CS..Hα-helixtrans-67.6-43.7179.7-67.2178.4158.900111.2S398 F403 L404 A405 I413 K417S398-E401 PolarHBondContact N-OE2 3Å; S398-E401 WeakPolarHBondContact O-CA 3.46Å; S398-E401 WeakPolarHBondContact O-CB 3.48Å; S398-E401 PolarHBondContact O-N 2.89Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 PolarHBondContact O-N 3.12Å; E401-L404 PolarHBondContact O-N 2.87Å; E401-A405 WeakPolarHBondContact O-CB 3.45Å; E401-A405 PolarHBondContact O-N 3.27Å; E401-I413 HydrophobicContact CB-CD1 4.41Å; E401-I413 HydrophobicContact CG-CD1 4.22Å; E401-I413 HydrophobicContact CG-CG2 4.06Å; E401-K417 WeakPolarHBondContact OE1-CE 3.45Å; E401-K417 IonicContact OE1-NZ 3.49Å; E401-K417 PolarHBondContact OE1-NZ 2.99Å
402T88.2Confident78.3Confident74 Ų7480.3 Ų80.345%0.45444%0.437SS..Hα-helixtrans-64-41176.658.80000111.1S398 P399 A405 S406S398-T402 PolarHBondContact O-N 2.93Å; P399-T402 PolarHBondContact O-OG1 3.18Å; T402-A405 PolarHBondContact O-N 3Å; T402-S406 PolarHBondContact O-N 3.39Å; T402-S406 VanDerWaalsContact O-N 3.08Å
403F89.5Confident80.1Confident16 Ų1674.2 Ų74.27%0.0741%0.405CS..Hα-helixtrans-61.9-49.4174.7179.8-106.1000112.3P399 L400 E401 A405 S406 L407 L423 L426 A450 I451 R454P399-F403 VanDerWaalsContact O-CB 3.3Å; P399-F403 WeakPolarHBondContact O-CB 3.41Å; P399-F403 PolarHBondContact O-N 3.47Å; P399-F403 VanDerWaalsContact O-N 3.12Å; L400-F403 PolarHBondContact O-N 3.21Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 PolarHBondContact O-N 3.12Å; F403-A405 VanDerWaalsContact C-N 3.34Å; F403-A405 PolarHBondContact O-N 2.82Å; F403-S406 WeakPolarHBondContact O-CB 3.4Å; F403-S406 PolarHBondContact O-N 3.32Å; F403-S406 PolarHBondContact O-OG 2.91Å; F403-L407 HydrophobicContact CD1-CD1 4.36Å; F403-L407 HydrophobicContact CE1-CD1 3.8Å; F403-L407 HydrophobicContact CZ-CD1 3.91Å; F403-L407 PolarHBondContact O-N 2.89Å; F403-L423 HydrophobicContact CB-CD1 3.81Å; F403-L423 HydrophobicContact CB-CD2 4.5Å; F403-L423 HydrophobicContact CD1-CD1 3.65Å; F403-L423 HydrophobicContact CD2-CD1 4.27Å; F403-L423 HydrophobicContact CE1-CD1 4.27Å; F403-L423 HydrophobicContact CG-CD1 3.64Å; F403-L426 HydrophobicContact CD1-CD2 4.32Å; F403-L426 HydrophobicContact CE1-CD2 4.16Å; F403-A450 HydrophobicContact CE2-CB 4.36Å; F403-A450 HydrophobicContact CZ-CB 3.81Å; F403-I451 HydrophobicContact CE1-CG1 4.16Å; F403-I451 HydrophobicContact CZ-CG1 3.99Å; F403-R454 HydrophobicContact CE2-CB 4.48Å
404L89.4Confident81.6Confident0 Ų071.7 Ų71.70%040%0.398CS..Hα-helixtrans-69-32179.3-70.3169.6000112.7L400 E401 S406 L407 H408 M409 I413 L416 I447L400-L404 HydrophobicContact CD1-CD1 3.99Å; L400-L404 HydrophobicContact CD1-CG 4.37Å; L400-L404 HydrophobicContact CG-CD1 3.96Å; L400-L404 WeakPolarHBondContact O-CB 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.16Å; L400-L404 PolarHBondContact O-N 2.92Å; E401-L404 PolarHBondContact O-N 2.87Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-L407 PolarHBondContact O-N 3.3Å; L404-H408 PolarHBondContact O-N 3.14Å; L404-M409 HydrophobicContact CD2-CB 4.21Å; L404-M409 PolarHBondContact O-N 3.43Å; L404-I413 HydrophobicContact CB-CG1 4.2Å; L404-I413 HydrophobicContact CD1-CG1 3.62Å; L404-L416 HydrophobicContact CD1-CD1 3.68Å; L404-L416 HydrophobicContact CD2-CD1 4.47Å; L404-I447 HydrophobicContact CD2-CD1 4.35Å; L404-I447 HydrophobicContact CD2-CG1 4.44Å
405A88.1Confident83.3Confident58 Ų5867.2 Ų67.248%0.47938%0.379SS..Hα-helixtrans-61.8-41.1172.800000111.4E401 T402 F403 L407 H408E401-A405 WeakPolarHBondContact O-CB 3.45Å; E401-A405 PolarHBondContact O-N 3.27Å; T402-A405 PolarHBondContact O-N 3Å; F403-A405 VanDerWaalsContact C-N 3.34Å; F403-A405 PolarHBondContact O-N 2.82Å; A405-L407 PolarHBondContact O-N 3.45Å; A405-H408 PolarHBondContact O-N 2.96Å
406S87.8Confident84.9Confident79 Ų7962.9 Ų62.955%0.55235%0.351SS*.Hα-helixtrans-61.7-25.4175.681.30000113.4T402 F403 L404T402-S406 PolarHBondContact O-N 3.39Å; T402-S406 VanDerWaalsContact O-N 3.08Å; F403-S406 WeakPolarHBondContact O-CB 3.4Å; F403-S406 PolarHBondContact O-N 3.32Å; F403-S406 PolarHBondContact O-OG 2.91Å; L404-S406 VanDerWaalsContact C-N 3.33Å
407L87.4Confident86.1Confident33 Ų3360.3 Ų60.317%0.17333%0.332CS..THydrogen-bonded Turntrans-93.3-1.9178.1-58.9177.8000113.2F403 L404 A405 M409 A450F403-L407 HydrophobicContact CD1-CD1 4.36Å; F403-L407 HydrophobicContact CE1-CD1 3.8Å; F403-L407 HydrophobicContact CZ-CD1 3.91Å; F403-L407 PolarHBondContact O-N 2.89Å; L404-L407 PolarHBondContact O-N 3.3Å; A405-L407 PolarHBondContact O-N 3.45Å; L407-M409 VanDerWaalsContact C-N 3.31Å; L407-M409 HydrophobicContact CB-CB 4.27Å; L407-M409 HydrophobicContact CB-CG 3.9Å; L407-M409 HydrophobicContact CB-SD 4.12Å; L407-M409 WeakPolarHBondContact O-CG 3.39Å; L407-A450 HydrophobicContact CD1-CB 3.48Å; L407-A450 VanDerWaalsContact CD1-CB 3.48Å; L407-A450 HydrophobicContact CD2-CB 3.5Å; L407-A450 HydrophobicContact CG-CB 4.11Å
408H86.8Confident87Confident167 Ų16764.7 Ų64.777%0.77334%0.344SS*.THydrogen-bonded Turntrans56.941.5-169.9-55.3-69.5000112.9L404 A405L404-H408 PolarHBondContact O-N 3.14Å; A405-H408 PolarHBondContact O-N 2.96Å
409M85.4Confident87.2Confident11 Ų1168 Ų685%0.05436%0.355CS..  trans-121.842.7-173.1-66.9-1686900113L404 L407 E411 F412 P443 K446 I447L404-M409 HydrophobicContact CD2-CB 4.21Å; L404-M409 PolarHBondContact O-N 3.43Å; L407-M409 VanDerWaalsContact C-N 3.31Å; L407-M409 HydrophobicContact CB-CB 4.27Å; L407-M409 HydrophobicContact CB-CG 3.9Å; L407-M409 HydrophobicContact CB-SD 4.12Å; L407-M409 WeakPolarHBondContact O-CG 3.39Å; M409-E411 VanDerWaalsContact C-N 3.26Å; M409-E411 PolarHBondContact O-N 3.5Å; M409-F412 HydrophobicContact CB-CD2 4.14Å; M409-F412 HydrophobicContact CE-CD2 3.52Å; M409-F412 HydrophobicContact CE-CE2 3.53Å; M409-F412 HydrophobicContact CE-CG 4.5Å; M409-F412 PolarHBondContact O-N 3.4Å; M409-P443 HydrophobicContact CE-CB 3.29Å; M409-P443 HydrophobicContact CE-CG 4.18Å; M409-P443 WeakPolarHBondContact CE-O 3.36Å; M409-K446 HydrophobicContact SD-CB 4.07Å; M409-I447 HydrophobicContact CE-CD1 3.51Å; M409-I447 HydrophobicContact CE-CG1 3.61Å; M409-I447 HydrophobicContact SD-CD1 4.17Å; M409-I447 HydrophobicContact SD-CG1 3.61Å
410F85.8Confident87.2Confident135 Ų13573.1 Ų73.159%0.59237%0.369SS*.G310 helixtrans-64.9-26.8-176.462.7-89.4000113.7F412 I413F410-F412 PolarHBondContact O-N 2.95Å; F410-I413 HydrophobicContact CB-CD1 4.11Å; F410-I413 WeakPolarHBondContact O-CB 3.25Å; F410-I413 WeakPolarHBondContact O-CG1 3.43Å; F410-I413 PolarHBondContact O-N 2.9Å
411E86.4Confident87.1Confident133 Ų13374.1 Ų74.162%0.62137%0.374SS*.G310 helixtrans-63.1-23.9-178.2-60.3-177.716700113.3M409M409-E411 VanDerWaalsContact C-N 3.26Å; M409-E411 PolarHBondContact O-N 3.5Å
412F86.9Confident87.2Confident22 Ų2276.1 Ų76.110%0.09639%0.386CS..G310 helixtrans-90.3-6.6-178.1-58.3-75.4000113.5M409 F410 S414 I415 L416 I439 P440 P443M409-F412 HydrophobicContact CB-CD2 4.14Å; M409-F412 HydrophobicContact CE-CD2 3.52Å; M409-F412 HydrophobicContact CE-CE2 3.53Å; M409-F412 HydrophobicContact CE-CG 4.5Å; M409-F412 PolarHBondContact O-N 3.4Å; F410-F412 PolarHBondContact O-N 2.95Å; F412-S414 PolarHBondContact O-N 2.88Å; F412-I415 HydrophobicContact CD1-CD1 4.13Å; F412-I415 PolarHBondContact O-N 3.33Å; F412-L416 WeakPolarHBondContact O-CG 3.47Å; F412-L416 PolarHBondContact O-N 2.95Å; F412-I439 HydrophobicContact CD1-CG1 4.07Å; F412-I439 HydrophobicContact CD1-CG2 4.12Å; F412-I439 HydrophobicContact CE1-CG1 4.49Å; F412-I439 HydrophobicContact CE1-CG2 3.97Å; F412-I439 HydrophobicContact CZ-CG2 4.44Å; F412-P440 HydrophobicContact CE1-CG 4.34Å; F412-P440 HydrophobicContact CZ-CG 4.15Å; F412-P443 HydrophobicContact CE1-CB 4.42Å; F412-P443 HydrophobicContact CE2-CB 3.66Å; F412-P443 HydrophobicContact CE2-CG 3.9Å; F412-P443 HydrophobicContact CZ-CB 3.59Å; F412-P443 HydrophobicContact CZ-CG 3.72Å
413I87.3Confident87.1Confident27 Ų2773.1 Ų73.114%0.13837%0.367CS..Hα-helixtrans-59.9-46.2179-66.5167.8000110.4E401 L404 F410 I415 L416 K417E401-I413 HydrophobicContact CB-CD1 4.41Å; E401-I413 HydrophobicContact CG-CD1 4.22Å; E401-I413 HydrophobicContact CG-CG2 4.06Å; L404-I413 HydrophobicContact CB-CG1 4.2Å; L404-I413 HydrophobicContact CD1-CG1 3.62Å; F410-I413 HydrophobicContact CB-CD1 4.11Å; F410-I413 WeakPolarHBondContact O-CB 3.25Å; F410-I413 WeakPolarHBondContact O-CG1 3.43Å; F410-I413 PolarHBondContact O-N 2.9Å; I413-I415 VanDerWaalsContact C-N 3.27Å; I413-I415 PolarHBondContact O-N 2.84Å; I413-L416 PolarHBondContact O-N 3.46Å; I413-K417 HydrophobicContact CG2-CD 4.01Å; I413-K417 HydrophobicContact CG2-CG 4.19Å; I413-K417 WeakPolarHBondContact O-CB 3.36Å; I413-K417 WeakPolarHBondContact O-CG 3.24Å; I413-K417 PolarHBondContact O-N 3.38Å
414S85.1Confident87Confident92 Ų9277.8 Ų77.864%0.64339%0.389SS*.Hα-helixtrans-64.1-33.2-179-540000112.7F412 K418F412-S414 PolarHBondContact O-N 2.88Å; S414-K418 VanDerWaalsContact O-CB 3.3Å; S414-K418 WeakPolarHBondContact O-CB 3.41Å; S414-K418 PolarHBondContact O-N 3.4Å; S414-K418 VanDerWaalsContact O-N 3.1Å
415I88.1Confident86.9Confident62 Ų6279.5 Ų79.532%0.31840%0.403SS..Hα-helixtrans-72.5-47.5178.7-63.1172.5000110F412 I413 K418 E419 I437F412-I415 HydrophobicContact CD1-CD1 4.13Å; F412-I415 PolarHBondContact O-N 3.33Å; I413-I415 VanDerWaalsContact C-N 3.27Å; I413-I415 PolarHBondContact O-N 2.84Å; I415-K418 WeakPolarHBondContact O-CB 3.49Å; I415-K418 PolarHBondContact O-N 3.11Å; I415-E419 PolarHBondContact O-N 2.69Å; I415-I437 HydrophobicContact CG2-CG2 3.27Å
416L87.1Confident86.9Confident0 Ų076.8 Ų76.80%038%0.381CS..Hα-helixtrans-67.2-39179.5-68167.8000112.1L400 L404 F412 I413 K418 E419 K420 I421 L426 I439L400-L416 HydrophobicContact CD1-CD1 4.47Å; L400-L416 HydrophobicContact CD2-CB 4.22Å; L404-L416 HydrophobicContact CD1-CD1 3.68Å; L404-L416 HydrophobicContact CD2-CD1 4.47Å; F412-L416 WeakPolarHBondContact O-CG 3.47Å; F412-L416 PolarHBondContact O-N 2.95Å; I413-L416 PolarHBondContact O-N 3.46Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 3.4Å; L416-E419 CarbonylContact O-C 3.14Å; L416-E419 PolarHBondContact O-N 3.45Å; L416-K420 PolarHBondContact O-N 2.78Å; L416-K420 VanDerWaalsContact O-N 3.09Å; L416-I421 HydrophobicContact CB-CB 4.44Å; L416-I421 HydrophobicContact CD2-CB 4.12Å; L416-I421 HydrophobicContact CD2-CD1 3.82Å; L416-I421 HydrophobicContact CD2-CG2 4.12Å; L416-I421 PolarHBondContact O-N 2.63Å; L416-L426 HydrophobicContact CD2-CD1 4.16Å; L416-I439 HydrophobicContact CD2-CD1 4.49Å
417K85.9Confident86.9Confident109 Ų10974.4 Ų74.447%0.47436%0.361SS..Hα-helixtrans-63.6-37.4172.7-76.4-168.6177.2-169.80112.4E401 I413 E419 K420E401-K417 WeakPolarHBondContact OE1-CE 3.45Å; E401-K417 IonicContact OE1-NZ 3.49Å; E401-K417 PolarHBondContact OE1-NZ 2.99Å; I413-K417 HydrophobicContact CG2-CD 4.01Å; I413-K417 HydrophobicContact CG2-CG 4.19Å; I413-K417 WeakPolarHBondContact O-CB 3.36Å; I413-K417 WeakPolarHBondContact O-CG 3.24Å; I413-K417 PolarHBondContact O-N 3.38Å; K417-E419 VanDerWaalsContact C-N 3.32Å; K417-E419 PolarHBondContact O-N 2.95Å; K417-K420 PolarHBondContact O-N 3.14Å; K417-K420 VanDerWaalsContact O-N 3.12Å
418K87.3Confident86.9Confident169 Ų16980.2 Ų80.274%0.73539%0.392SS*.Hα-helixtrans-63.3-39.9177.2-173.8-178.4178.2-173.30111.7S414 I415 L416 K420S414-K418 VanDerWaalsContact O-CB 3.3Å; S414-K418 WeakPolarHBondContact O-CB 3.41Å; S414-K418 PolarHBondContact O-N 3.4Å; S414-K418 VanDerWaalsContact O-N 3.1Å; I415-K418 WeakPolarHBondContact O-CB 3.49Å; I415-K418 PolarHBondContact O-N 3.11Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 3.4Å; K418-K420 PolarHBondContact O-N 3.11Å
419E86.9Confident86.8Confident111 Ų11173.7 Ų73.752%0.51937%0.365SS..THydrogen-bonded Turntrans-83.53.7175.7-63.5-58.6141.800113.4I415 L416 K417 I421 I437I415-E419 PolarHBondContact O-N 2.69Å; L416-E419 CarbonylContact O-C 3.14Å; L416-E419 PolarHBondContact O-N 3.45Å; K417-E419 VanDerWaalsContact C-N 3.32Å; K417-E419 PolarHBondContact O-N 2.95Å; E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 HydrophobicContact CB-CD1 3.86Å; E419-I421 HydrophobicContact CB-CG1 4.05Å; E419-I421 PolarHBondContact O-N 3.31Å; E419-I437 HydrophobicContact CG-CG1 4.47Å; E419-I437 HydrophobicContact CG-CG2 4.07Å
420K85.7Confident86.8Confident190 Ų19075.6 Ų75.683%0.82638%0.379SS*.THydrogen-bonded Turntrans54.936.9-178-56.6-176.6177.1-176.40113.9L416 K417 K418L416-K420 PolarHBondContact O-N 2.78Å; L416-K420 VanDerWaalsContact O-N 3.09Å; K417-K420 PolarHBondContact O-N 3.14Å; K417-K420 VanDerWaalsContact O-N 3.12Å; K418-K420 PolarHBondContact O-N 3.11Å
421I87.3Confident86.9Confident24 Ų2472 Ų7212%0.12337%0.366CS..  trans-88.5116.2175.9-62.5168.1000107.9L400 L416 E419 A425 L426 I437L400-I421 WeakPolarHBondContact CD2-O 3.48Å; L416-I421 HydrophobicContact CB-CB 4.44Å; L416-I421 HydrophobicContact CD2-CB 4.12Å; L416-I421 HydrophobicContact CD2-CD1 3.82Å; L416-I421 HydrophobicContact CD2-CG2 4.12Å; L416-I421 PolarHBondContact O-N 2.63Å; E419-I421 VanDerWaalsContact C-N 3.26Å; E419-I421 HydrophobicContact CB-CD1 3.86Å; E419-I421 HydrophobicContact CB-CG1 4.05Å; E419-I421 PolarHBondContact O-N 3.31Å; I421-A425 HydrophobicContact CG2-CB 4.09Å; I421-L426 HydrophobicContact CG2-CB 3.9Å; I421-L426 HydrophobicContact CG2-CD1 4.27Å; I421-I437 HydrophobicContact CD1-CD1 3.3Å; I421-I437 HydrophobicContact CD1-CG1 4.42Å
422D88.7Confident86.8Confident87 Ų8771.2 Ų71.247%0.46537%0.366SS..  trans-89.1178.5170.463.7-6.4000111.2E424 A425 L426D422-E424 VanDerWaalsContact C-N 3.29Å; D422-E424 PolarHBondContact O-N 3.47Å; D422-A425 PolarHBondContact O-N 3.28Å; D422-A425 WeakPolarHBondContact OD1-CA 3.37Å; D422-A425 WeakPolarHBondContact OD1-CB 3.48Å; D422-A425 PolarHBondContact OD1-N 2.84Å; D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.44Å; D422-L426 PolarHBondContact O-N 3.2Å
423L87Confident86.9Confident10 Ų1073.5 Ų73.55%0.05238%0.379CS..Hα-helixtrans-62.8-37.4-177.7-177.262000112P399 L400 F403 L426 M427P399-L423 HydrophobicContact CB-CD2 3.93Å; L400-L423 HydrophobicContact CB-CB 4.38Å; L400-L423 HydrophobicContact CD1-CD1 4.45Å; F403-L423 HydrophobicContact CB-CD1 3.81Å; F403-L423 HydrophobicContact CB-CD2 4.5Å; F403-L423 HydrophobicContact CD1-CD1 3.65Å; F403-L423 HydrophobicContact CD2-CD1 4.27Å; F403-L423 HydrophobicContact CE1-CD1 4.27Å; F403-L423 HydrophobicContact CG-CD1 3.64Å; L423-L426 PolarHBondContact O-N 2.86Å; L423-M427 WeakPolarHBondContact O-CG 3.43Å; L423-M427 PolarHBondContact O-N 2.93Å
424E86.6Confident86.8Confident115 Ų11572.2 Ų72.254%0.53737%0.372SS..Hα-helixtrans-70.1-43.4179.2-64.7-57.513700111.8D422 L426 M427 L428D422-E424 VanDerWaalsContact C-N 3.29Å; D422-E424 PolarHBondContact O-N 3.47Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 2.86Å; E424-M427 WeakPolarHBondContact O-CB 3.46Å; E424-M427 PolarHBondContact O-N 3.46Å; E424-L428 PolarHBondContact O-N 3.14Å
425A87.8Confident86.9Confident36 Ų3673.9 Ų73.930%0.29837%0.368SS..Hα-helixtrans-63.1-39.3172.300000111.4I421 D422 M427 L428 C429I421-A425 HydrophobicContact CG2-CB 4.09Å; D422-A425 PolarHBondContact O-N 3.28Å; D422-A425 WeakPolarHBondContact OD1-CA 3.37Å; D422-A425 WeakPolarHBondContact OD1-CB 3.48Å; D422-A425 PolarHBondContact OD1-N 2.84Å; A425-M427 VanDerWaalsContact C-N 3.26Å; A425-M427 PolarHBondContact O-N 3.12Å; A425-L428 PolarHBondContact O-N 2.84Å; A425-C429 PolarHBondContact O-N 3.33Å; A425-C429 VanDerWaalsContact O-N 3.17Å; A425-C429 PolarHBondContact O-SG 3.42Å
426L88.4Confident86.8Confident0 Ų075 Ų750%038%0.382CS..Hα-helixtrans-60.9-36.5175.9-17267000111.5L400 F403 L416 I421 D422 L423 E424 L428 C429 L434 I447 I451L400-L426 HydrophobicContact CD1-CD2 3.72Å; F403-L426 HydrophobicContact CD1-CD2 4.32Å; F403-L426 HydrophobicContact CE1-CD2 4.16Å; L416-L426 HydrophobicContact CD2-CD1 4.16Å; I421-L426 HydrophobicContact CG2-CB 3.9Å; I421-L426 HydrophobicContact CG2-CD1 4.27Å; D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.44Å; D422-L426 PolarHBondContact O-N 3.2Å; L423-L426 PolarHBondContact O-N 2.86Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 2.86Å; L426-L428 PolarHBondContact O-N 3.45Å; L426-C429 WeakPolarHBondContact O-CB 3.47Å; L426-C429 PolarHBondContact O-N 3.12Å; L426-L434 HydrophobicContact CD1-CD2 3.79Å; L426-I447 HydrophobicContact CD1-CG2 4.2Å; L426-I447 HydrophobicContact CD2-CG2 4.19Å; L426-I447 HydrophobicContact CG-CG2 4.41Å; L426-I451 HydrophobicContact CD1-CD1 4.42Å; L426-I451 HydrophobicContact CD2-CD1 4.3Å; L426-I451 HydrophobicContact CG-CD1 3.81Å; L426-I451 WeakPolarHBondContact O-CD1 3.46Å
427M86.9Confident86.7Confident30 Ų3076.2 Ų76.215%0.14839%0.388CS..Hα-helixtrans-65.4-20.6175.4-74.7-179.553.300114L423 E424 A425 I451 L458L423-M427 WeakPolarHBondContact O-CG 3.43Å; L423-M427 PolarHBondContact O-N 2.93Å; E424-M427 WeakPolarHBondContact O-CB 3.46Å; E424-M427 PolarHBondContact O-N 3.46Å; A425-M427 VanDerWaalsContact C-N 3.26Å; A425-M427 PolarHBondContact O-N 3.12Å; M427-I451 HydrophobicContact CB-CG2 4.31Å; M427-I451 HydrophobicContact CG-CG2 4.16Å; M427-L458 HydrophobicContact CE-CD1 3.82Å
428L86.8Confident86.5Confident155 Ų15578 Ų7881%0.81240%0.403SS*.Hα-helixtrans-96.1-12.4177.1-63173.7000113.2E424 A425 L426E424-L428 PolarHBondContact O-N 3.14Å; A425-L428 PolarHBondContact O-N 2.84Å; L426-L428 PolarHBondContact O-N 3.45Å
429C85.6Confident86.5Confident30 Ų3070.2 Ų70.220%0.20337%0.369CS..  trans-68.2136.4-179-69.10000112.5A425 L426 D433 L434A425-C429 PolarHBondContact O-N 3.33Å; A425-C429 VanDerWaalsContact O-N 3.17Å; A425-C429 PolarHBondContact O-SG 3.42Å; L426-C429 WeakPolarHBondContact O-CB 3.47Å; L426-C429 PolarHBondContact O-N 3.12Å; C429-D433 HydrophobicContact CB-CB 4.25Å; C429-L434 HydrophobicContact CB-CD2 4.25Å; C429-L434 HydrophobicContact CB-CG 4.41Å
430S85.8Confident86.5Confident51 Ų5168.2 Ų68.236%0.35737%0.366SS..  trans-87.9167169.774.40000112N432 D433 L434S430-N432 PolarHBondContact O-N 3.21Å; S430-N432 VanDerWaalsContact O-N 3.14Å; S430-N432 PolarHBondContact OG-N 2.99Å; S430-D433 WeakPolarHBondContact CB-OD2 3.32Å; S430-D433 PolarHBondContact N-OD2 2.83Å; S430-D433 PolarHBondContact O-N 2.87Å; S430-D433 VanDerWaalsContact OG-CG 3.29Å; S430-D433 PolarHBondContact OG-OD2 3.4Å; S430-L434 PolarHBondContact O-N 3.43Å
431D86.4Confident86.5Confident59 Ų5963.9 Ų63.932%0.31635%0.351SS..Hα-helixtrans-57.3-28.9175.2-168.354.4000112.5K435 R444D431-K435 WeakPolarHBondContact O-CB 3.46Å; D431-K435 PolarHBondContact O-N 2.85Å; D431-K435 VanDerWaalsContact O-N 3.14Å; D431-R444 VanDerWaalsContact OD1-CD 3.26Å; D431-R444 WeakPolarHBondContact OD1-CD 3.46Å; D431-R444 WeakPolarHBondContact OD1-CG 3.16Å; D431-R444 IonicContact OD1-CZ 3.46Å; D431-R444 IonicContact OD1-NE 3.47Å; D431-R444 PolarHBondContact OD1-NE 3.42Å; D431-R444 IonicContact OD1-NH2 2.78Å; D431-R444 PolarHBondContact OD1-NH2 2.99Å; D431-R444 IonicContact OD2-CZ 3.94Å; D431-R444 IonicContact OD2-NE 3.77Å; D431-R444 PolarHBondContact OD2-NE 3.46Å; D431-R444 IonicContact OD2-NH2 3.21Å; D431-R444 PolarHBondContact OD2-NH2 2.88Å
432N86Confident86.6Confident117 Ų11764.8 Ų64.863%0.62637%0.366SS*.Hα-helixtrans-72.5-33.7176.5-73.7-29.7000112.4S430 K435 S436S430-N432 PolarHBondContact O-N 3.21Å; S430-N432 VanDerWaalsContact O-N 3.14Å; S430-N432 PolarHBondContact OG-N 2.99Å; N432-K435 WeakPolarHBondContact O-CB 3.21Å; N432-K435 PolarHBondContact O-N 3.39Å; N432-S436 PolarHBondContact O-N 2.98Å
433D87.7Confident86.6Confident69 Ų6962.4 Ų62.437%0.36936%0.356SS..Hα-helixtrans-72.8-40.4178.7-54.7-46.1000110.5C429 S430 K435 S436 I437C429-D433 HydrophobicContact CB-CB 4.25Å; S430-D433 WeakPolarHBondContact CB-OD2 3.32Å; S430-D433 PolarHBondContact N-OD2 2.83Å; S430-D433 PolarHBondContact O-N 2.87Å; S430-D433 VanDerWaalsContact OG-CG 3.29Å; S430-D433 PolarHBondContact OG-OD2 3.4Å; D433-K435 PolarHBondContact O-N 3.4Å; D433-S436 PolarHBondContact O-N 2.84Å; D433-S436 PolarHBondContact O-OG 3.17Å; D433-I437 VanDerWaalsContact O-CD1 3.27Å; D433-I437 WeakPolarHBondContact O-CD1 3.32Å; D433-I437 VanDerWaalsContact O-CG1 3.31Å; D433-I437 WeakPolarHBondContact O-CG1 3.34Å; D433-I437 PolarHBondContact O-N 3.09Å
434L85.7Confident86.7Confident0 Ų063.2 Ų63.20%036%0.358CS..Hα-helixtrans-68-26.2173.3-60.1178.3000112.5L426 C429 S430 I439 R444 I447 V448L426-L434 HydrophobicContact CD1-CD2 3.79Å; C429-L434 HydrophobicContact CB-CD2 4.25Å; C429-L434 HydrophobicContact CB-CG 4.41Å; S430-L434 PolarHBondContact O-N 3.43Å; L434-I439 HydrophobicContact CB-CD1 4.38Å; L434-I439 HydrophobicContact CD2-CD1 4.02Å; L434-I439 WeakPolarHBondContact O-CB 3.37Å; L434-I439 PolarHBondContact O-N 3.44Å; L434-R444 HydrophobicContact CB-CG 3.57Å; L434-R444 HydrophobicContact CD1-CG 3.93Å; L434-R444 HydrophobicContact CG-CG 4.43Å; L434-I447 HydrophobicContact CD1-CB 4.48Å; L434-I447 HydrophobicContact CD1-CG2 4.08Å; L434-V448 HydrophobicContact CD1-CG2 3.67Å
435K87.3Confident86.9Confident127 Ų12763.4 Ų63.455%0.55236%0.357SS*.Hα-helixtrans-70.7-38.6173-174.6-176.8176.6-172.60111.9D431 N432 D433 I437 N438D431-K435 WeakPolarHBondContact O-CB 3.46Å; D431-K435 PolarHBondContact O-N 2.85Å; D431-K435 VanDerWaalsContact O-N 3.14Å; N432-K435 WeakPolarHBondContact O-CB 3.21Å; N432-K435 PolarHBondContact O-N 3.39Å; D433-K435 PolarHBondContact O-N 3.4Å; K435-I437 PolarHBondContact O-N 3.02Å; K435-N438 PolarHBondContact O-N 3.44Å
436S85.9Confident87Confident87 Ų8768 Ų6861%0.60837%0.37SS*.Hα-helixtrans-66.5-26.8178.467.40000112.2N432 D433 N438N432-S436 PolarHBondContact O-N 2.98Å; D433-S436 PolarHBondContact O-N 2.84Å; D433-S436 PolarHBondContact O-OG 3.17Å; S436-N438 PolarHBondContact O-N 3.49Å
437I84.3Confident87.1Confident24 Ų2468 Ų6812%0.12337%0.37CS..THydrogen-bonded Turntrans-85.812.9177.9-53156.4000112.6I415 E419 I421 D433 K435 I439I415-I437 HydrophobicContact CG2-CG2 3.27Å; E419-I437 HydrophobicContact CG-CG1 4.47Å; E419-I437 HydrophobicContact CG-CG2 4.07Å; I421-I437 HydrophobicContact CD1-CD1 3.3Å; I421-I437 HydrophobicContact CD1-CG1 4.42Å; D433-I437 VanDerWaalsContact O-CD1 3.27Å; D433-I437 WeakPolarHBondContact O-CD1 3.32Å; D433-I437 VanDerWaalsContact O-CG1 3.31Å; D433-I437 WeakPolarHBondContact O-CG1 3.34Å; D433-I437 PolarHBondContact O-N 3.09Å; K435-I437 PolarHBondContact O-N 3.02Å; I437-I439 VanDerWaalsContact C-N 3.31Å; I437-I439 PolarHBondContact O-N 3.4Å
438N83.2Confident87.3Confident147 Ų14768.6 Ų68.679%0.78638%0.376SS*.THydrogen-bonded Turntrans59.729.7178.4-69.5-40.3000115.5K435 S436K435-N438 PolarHBondContact O-N 3.44Å; S436-N438 PolarHBondContact O-N 3.49Å
439I85.9Confident87.6Confident5 Ų565.4 Ų65.43%0.02636%0.359CS..  trans-79.4127.2172.1-57.6177.4000109.4F412 L416 L434 I437 P443 R444 I447F412-I439 HydrophobicContact CD1-CG1 4.07Å; F412-I439 HydrophobicContact CD1-CG2 4.12Å; F412-I439 HydrophobicContact CE1-CG1 4.49Å; F412-I439 HydrophobicContact CE1-CG2 3.97Å; F412-I439 HydrophobicContact CZ-CG2 4.44Å; L416-I439 HydrophobicContact CD2-CD1 4.49Å; L434-I439 HydrophobicContact CB-CD1 4.38Å; L434-I439 HydrophobicContact CD2-CD1 4.02Å; L434-I439 WeakPolarHBondContact O-CB 3.37Å; L434-I439 PolarHBondContact O-N 3.44Å; I437-I439 VanDerWaalsContact C-N 3.31Å; I437-I439 PolarHBondContact O-N 3.4Å; I439-P443 HydrophobicContact CG2-CB 3.87Å; I439-R444 HydrophobicContact CG2-CB 4.03Å; I439-I447 HydrophobicContact CD1-CD1 4.46Å
440P87.6Confident87.9Confident70 Ų7064.2 Ų64.246%0.45535%0.351SS..  trans-68153.8-178.727.7-33.7000112F412 G442 P443 R444F412-P440 HydrophobicContact CE1-CG 4.34Å; F412-P440 HydrophobicContact CZ-CG 4.15Å; P440-G442 VanDerWaalsContact C-N 3.29Å; P440-G442 PolarHBondContact O-N 2.93Å; P440-G442 VanDerWaalsContact O-N 3.09Å; P440-P443 HydrophobicContact CG-CB 4.17Å; P440-P443 HydrophobicContact CG-CG 3.81Å; P440-P443 WeakPolarHBondContact O-CD 3.26Å; P440-R444 VanDerWaalsContact O-CB 3.3Å; P440-R444 WeakPolarHBondContact O-CB 3.47Å; P440-R444 PolarHBondContact O-N 3.3Å
441L86.4Confident88.1Confident99 Ų9962.3 Ų62.352%0.51834%0.337SS..Hα-helixtrans-52.7-37.7-168.5-174.167.3000114.9K445L441-K445 WeakPolarHBondContact O-CG 2.94Å; L441-K445 PolarHBondContact O-N 3.29Å
442G88.1Confident88.3Confident43 Ų4363.9 Ų63.944%0.44334%0.343SS..Hα-helixtrans-68.3-63.9-178.600000112.8P440 R444 K445 K446P440-G442 VanDerWaalsContact C-N 3.29Å; P440-G442 PolarHBondContact O-N 2.93Å; P440-G442 VanDerWaalsContact O-N 3.09Å; G442-R444 PolarHBondContact O-N 2.95Å; G442-K445 PolarHBondContact O-N 2.72Å; G442-K446 PolarHBondContact O-N 3.13Å
443P89.3Confident88.4Confident37 Ų3765.4 Ų65.424%0.2434%0.34CS..Hα-helixtrans-42.3-47.1167.4-42.147.6000114.3M409 F412 I439 P440 K445 K446 I447M409-P443 HydrophobicContact CE-CB 3.29Å; M409-P443 HydrophobicContact CE-CG 4.18Å; M409-P443 WeakPolarHBondContact CE-O 3.36Å; F412-P443 HydrophobicContact CE1-CB 4.42Å; F412-P443 HydrophobicContact CE2-CB 3.66Å; F412-P443 HydrophobicContact CE2-CG 3.9Å; F412-P443 HydrophobicContact CZ-CB 3.59Å; F412-P443 HydrophobicContact CZ-CG 3.72Å; I439-P443 HydrophobicContact CG2-CB 3.87Å; P440-P443 HydrophobicContact CG-CB 4.17Å; P440-P443 HydrophobicContact CG-CG 3.81Å; P440-P443 WeakPolarHBondContact O-CD 3.26Å; P443-K445 PolarHBondContact O-N 3.21Å; P443-K446 PolarHBondContact O-N 3.13Å; P443-I447 WeakPolarHBondContact O-CG1 3.16Å; P443-I447 PolarHBondContact O-N 2.95Å
444R88.8Confident88.4Confident26 Ų2666.9 Ų66.910%0.09834%0.34CS..Hα-helixtrans-57.7-50.5-178.9-165.7173.275.5-165.319.6113D431 L434 I439 P440 G442 K446 I447 V448D431-R444 VanDerWaalsContact OD1-CD 3.26Å; D431-R444 WeakPolarHBondContact OD1-CD 3.46Å; D431-R444 WeakPolarHBondContact OD1-CG 3.16Å; D431-R444 IonicContact OD1-CZ 3.46Å; D431-R444 IonicContact OD1-NE 3.47Å; D431-R444 PolarHBondContact OD1-NE 3.42Å; D431-R444 IonicContact OD1-NH2 2.78Å; D431-R444 PolarHBondContact OD1-NH2 2.99Å; D431-R444 IonicContact OD2-CZ 3.94Å; D431-R444 IonicContact OD2-NE 3.77Å; D431-R444 PolarHBondContact OD2-NE 3.46Å; D431-R444 IonicContact OD2-NH2 3.21Å; D431-R444 PolarHBondContact OD2-NH2 2.88Å; L434-R444 HydrophobicContact CB-CG 3.57Å; L434-R444 HydrophobicContact CD1-CG 3.93Å; L434-R444 HydrophobicContact CG-CG 4.43Å; I439-R444 HydrophobicContact CG2-CB 4.03Å; P440-R444 VanDerWaalsContact O-CB 3.3Å; P440-R444 WeakPolarHBondContact O-CB 3.47Å; P440-R444 PolarHBondContact O-N 3.3Å; G442-R444 PolarHBondContact O-N 2.95Å; R444-K446 VanDerWaalsContact C-N 3.33Å; R444-K446 PolarHBondContact O-N 3.4Å; R444-I447 PolarHBondContact O-N 3.28Å; R444-V448 WeakPolarHBondContact O-CG2 2.75Å; R444-V448 PolarHBondContact O-N 3.05Å; R444-V448 VanDerWaalsContact O-N 3.09Å
445K90.3Very high88.6Confident119 Ų11972.7 Ų72.752%0.51736%0.362SS..Hα-helixtrans-61.6-40.7177.3-74-173.4175.6-170.80112.4L441 G442 P443 I447 V448 D449L441-K445 WeakPolarHBondContact O-CG 2.94Å; L441-K445 PolarHBondContact O-N 3.29Å; G442-K445 PolarHBondContact O-N 2.72Å; P443-K445 PolarHBondContact O-N 3.21Å; K445-I447 VanDerWaalsContact C-N 3.35Å; K445-I447 PolarHBondContact O-N 3.39Å; K445-V448 PolarHBondContact O-N 3.09Å; K445-D449 WeakPolarHBondContact O-CB 3.39Å; K445-D449 VanDerWaalsContact O-CG 3.26Å; K445-D449 PolarHBondContact O-N 3.47Å
446K91.6Very high88.5Confident132 Ų13271.2 Ų71.257%0.57436%0.357SS*.Hα-helixtrans-61.3-42177.7-71.6-176177.1-175.40112.5M409 G442 P443 R444 A450M409-K446 HydrophobicContact SD-CB 4.07Å; G442-K446 PolarHBondContact O-N 3.13Å; P443-K446 PolarHBondContact O-N 3.13Å; R444-K446 VanDerWaalsContact C-N 3.33Å; R444-K446 PolarHBondContact O-N 3.4Å; K446-A450 VanDerWaalsContact O-CB 3.27Å; K446-A450 WeakPolarHBondContact O-CB 3.32Å; K446-A450 PolarHBondContact O-N 2.8Å
447I90.3Very high88.5Confident0 Ų071 Ų710%035%0.352CS..Hα-helixtrans-63.1-49.4176.6-69.7170.8000110L404 M409 L426 L434 I439 P443 R444 K445 D449 A450 I451L404-I447 HydrophobicContact CD2-CD1 4.35Å; L404-I447 HydrophobicContact CD2-CG1 4.44Å; M409-I447 HydrophobicContact CE-CD1 3.51Å; M409-I447 HydrophobicContact CE-CG1 3.61Å; M409-I447 HydrophobicContact SD-CD1 4.17Å; M409-I447 HydrophobicContact SD-CG1 3.61Å; L426-I447 HydrophobicContact CD1-CG2 4.2Å; L426-I447 HydrophobicContact CD2-CG2 4.19Å; L426-I447 HydrophobicContact CG-CG2 4.41Å; L434-I447 HydrophobicContact CD1-CB 4.48Å; L434-I447 HydrophobicContact CD1-CG2 4.08Å; I439-I447 HydrophobicContact CD1-CD1 4.46Å; P443-I447 WeakPolarHBondContact O-CG1 3.16Å; P443-I447 PolarHBondContact O-N 2.95Å; R444-I447 PolarHBondContact O-N 3.28Å; K445-I447 VanDerWaalsContact C-N 3.35Å; K445-I447 PolarHBondContact O-N 3.39Å; I447-D449 PolarHBondContact O-N 2.68Å; I447-A450 PolarHBondContact O-N 3.49Å; I447-I451 HydrophobicContact CG2-CD1 3.52Å; I447-I451 HydrophobicContact CG2-CG1 4.36Å; I447-I451 WeakPolarHBondContact O-CD1 2.8Å; I447-I451 VanDerWaalsContact O-CG1 3.24Å; I447-I451 WeakPolarHBondContact O-CG1 3.43Å; I447-I451 PolarHBondContact O-N 3.35Å
448V90.9Very high88.5Confident44 Ų4475 Ų7527%0.26737%0.374SS..Hα-helixtrans-60.4-45.9179.4175.60000111.7L434 R444 K445 A450 I451 Q452L434-V448 HydrophobicContact CD1-CG2 3.67Å; R444-V448 WeakPolarHBondContact O-CG2 2.75Å; R444-V448 PolarHBondContact O-N 3.05Å; R444-V448 VanDerWaalsContact O-N 3.09Å; K445-V448 PolarHBondContact O-N 3.09Å; V448-A450 VanDerWaalsContact C-N 3.3Å; V448-A450 PolarHBondContact O-N 3.22Å; V448-I451 PolarHBondContact O-N 2.79Å; V448-Q452 PolarHBondContact O-N 3.07Å
449D92.4Very high88.6Confident87 Ų8773.8 Ų73.847%0.46536%0.363SS..Hα-helixtrans-64.7-33.8178.4-71.5-13.2000112.3K445 I447 R453K445-D449 WeakPolarHBondContact O-CB 3.39Å; K445-D449 VanDerWaalsContact O-CG 3.26Å; K445-D449 PolarHBondContact O-N 3.47Å; I447-D449 PolarHBondContact O-N 2.68Å; D449-R453 WeakPolarHBondContact O-CG 3.47Å; D449-R453 PolarHBondContact O-N 3.44Å; D449-R453 PolarHBondContact O-NE 3.34Å
450A91.4Very high88.3Confident5 Ų582.4 Ų82.44%0.04140%0.395CS..Hα-helixtrans-73.2-40.9176.700000112.3F403 L407 K446 I447 V448 Q452 R453 R454F403-A450 HydrophobicContact CE2-CB 4.36Å; F403-A450 HydrophobicContact CZ-CB 3.81Å; L407-A450 HydrophobicContact CD1-CB 3.48Å; L407-A450 VanDerWaalsContact CD1-CB 3.48Å; L407-A450 HydrophobicContact CD2-CB 3.5Å; L407-A450 HydrophobicContact CG-CB 4.11Å; K446-A450 VanDerWaalsContact O-CB 3.27Å; K446-A450 WeakPolarHBondContact O-CB 3.32Å; K446-A450 PolarHBondContact O-N 2.8Å; I447-A450 PolarHBondContact O-N 3.49Å; V448-A450 VanDerWaalsContact C-N 3.3Å; V448-A450 PolarHBondContact O-N 3.22Å; A450-Q452 VanDerWaalsContact C-N 3.31Å; A450-Q452 PolarHBondContact O-N 3.15Å; A450-R453 PolarHBondContact O-N 2.76Å; A450-R454 WeakPolarHBondContact O-CB 3.41Å; A450-R454 PolarHBondContact O-N 2.85Å
451I91.1Very high87.8Confident12 Ų1284 Ų846%0.06241%0.405CS..Hα-helixtrans-60.2-44.4173.5-71.3160.1000110.1F403 L426 M427 I447 V448 R453 R454 R455F403-I451 HydrophobicContact CE1-CG1 4.16Å; F403-I451 HydrophobicContact CZ-CG1 3.99Å; L426-I451 HydrophobicContact CD1-CD1 4.42Å; L426-I451 HydrophobicContact CD2-CD1 4.3Å; L426-I451 HydrophobicContact CG-CD1 3.81Å; L426-I451 WeakPolarHBondContact O-CD1 3.46Å; M427-I451 HydrophobicContact CB-CG2 4.31Å; M427-I451 HydrophobicContact CG-CG2 4.16Å; I447-I451 HydrophobicContact CG2-CD1 3.52Å; I447-I451 HydrophobicContact CG2-CG1 4.36Å; I447-I451 WeakPolarHBondContact O-CD1 2.8Å; I447-I451 VanDerWaalsContact O-CG1 3.24Å; I447-I451 WeakPolarHBondContact O-CG1 3.43Å; I447-I451 PolarHBondContact O-N 3.35Å; V448-I451 PolarHBondContact O-N 2.79Å; I451-R453 PolarHBondContact O-N 3.15Å; I451-R454 PolarHBondContact O-N 2.99Å; I451-R455 WeakPolarHBondContact O-CB 3.3Å; I451-R455 PolarHBondContact O-N 3.35Å
452Q89.8Confident86.8Confident91 Ų9186 Ų8643%0.42542%0.416SS..Hα-helixtrans-62.2-42.3178.3-176.2169.7-11.600112V448 A450 R455 Q456V448-Q452 PolarHBondContact O-N 3.07Å; A450-Q452 VanDerWaalsContact C-N 3.31Å; A450-Q452 PolarHBondContact O-N 3.15Å; Q452-R455 PolarHBondContact O-N 3.43Å; Q452-Q456 WeakPolarHBondContact O-CG 3.06Å; Q452-Q456 PolarHBondContact O-N 3.49Å
453R87.8Confident85.7Confident149 Ų14990 Ų9056%0.56243%0.432SS*.Hα-helixtrans-61.7-47.6173.8-79.5-179.7-78.8149.4-6.6111.8D449 A450 I451 R455 Q456 T457D449-R453 WeakPolarHBondContact O-CG 3.47Å; D449-R453 PolarHBondContact O-N 3.44Å; D449-R453 PolarHBondContact O-NE 3.34Å; A450-R453 PolarHBondContact O-N 2.76Å; I451-R453 PolarHBondContact O-N 3.15Å; R453-R455 VanDerWaalsContact C-N 3.31Å; R453-R455 PolarHBondContact O-N 2.96Å; R453-Q456 WeakPolarHBondContact O-CB 3.3Å; R453-Q456 PolarHBondContact O-N 3.45Å; R453-T457 PolarHBondContact O-N 3.17Å; R453-T457 PolarHBondContact O-OG1 2.98Å; R453-T457 VanDerWaalsContact O-OG1 3.1Å
454R89.3Confident84.3Confident101 Ų10195.8 Ų95.838%0.38146%0.459SS..Hα-helixtrans-58.7-43.1177-175.7177.6178.984.4-0.7111.6F403 A450 I451 Q456 T457 L458F403-R454 HydrophobicContact CE2-CB 4.48Å; A450-R454 WeakPolarHBondContact O-CB 3.41Å; A450-R454 PolarHBondContact O-N 2.85Å; I451-R454 PolarHBondContact O-N 2.99Å; R454-Q456 PolarHBondContact O-N 3.06Å; R454-T457 PolarHBondContact O-N 3.08Å; R454-L458 HydrophobicContact CG-CD1 4.39Å; R454-L458 WeakPolarHBondContact O-CG 3.28Å; R454-L458 PolarHBondContact O-N 3.29Å
455R88.4Confident83.1Confident122 Ų122100 Ų10046%0.4649%0.488SS..Hα-helixtrans-62.6-41.9177.1-163.6176.775.9-160.3-0.4111.9I451 Q452 R453 T457 L458 E459I451-R455 WeakPolarHBondContact O-CB 3.3Å; I451-R455 PolarHBondContact O-N 3.35Å; Q452-R455 PolarHBondContact O-N 3.43Å; R453-R455 VanDerWaalsContact C-N 3.31Å; R453-R455 PolarHBondContact O-N 2.96Å; R455-T457 PolarHBondContact O-N 3.18Å; R455-L458 PolarHBondContact O-N 3.19Å; R455-E459 IonicContact NE-OE1 3.46Å; R455-E459 WeakPolarHBondContact O-CG 3.4Å; R455-E459 PolarHBondContact O-N 3.45Å
456Q86.4Confident81.4Confident95 Ų95101.4 Ų101.444%0.44450%0.501SS..Hα-helixtrans-62.9-39.8175.5-73.2173.5-2.600112.5Q452 R453 R454 L458 E459 R460Q452-Q456 WeakPolarHBondContact O-CG 3.06Å; Q452-Q456 PolarHBondContact O-N 3.49Å; R453-Q456 WeakPolarHBondContact O-CB 3.3Å; R453-Q456 PolarHBondContact O-N 3.45Å; R454-Q456 PolarHBondContact O-N 3.06Å; Q456-L458 VanDerWaalsContact C-N 3.35Å; Q456-E459 PolarHBondContact O-N 3.4Å; Q456-R460 PolarHBondContact O-N 3.14Å
457T85.1Confident79.6Confident82 Ų82100.9 Ų100.950%0.50351%0.509SS..Hα-helixtrans-66-36.5175.2-52.10000112.2R453 R454 R455 R460R453-T457 PolarHBondContact O-N 3.17Å; R453-T457 PolarHBondContact O-OG1 2.98Å; R453-T457 VanDerWaalsContact O-OG1 3.1Å; R454-T457 PolarHBondContact O-N 3.08Å; R455-T457 PolarHBondContact O-N 3.18Å; T457-R460 CarbonylContact O-C 3.55Å; T457-R460 VanDerWaalsContact O-O 3.12Å
458L84.5Confident77.9Confident110 Ų110110.5 Ų110.558%0.57655%0.554SS**Hα-helixtrans-69.4-35.9174.6-69.9170.5000112.2M427 R454 R455 Q456M427-L458 HydrophobicContact CE-CD1 3.82Å; R454-L458 HydrophobicContact CG-CD1 4.39Å; R454-L458 WeakPolarHBondContact O-CG 3.28Å; R454-L458 PolarHBondContact O-N 3.29Å; R455-L458 PolarHBondContact O-N 3.19Å; Q456-L458 VanDerWaalsContact C-N 3.35Å
459E84.7Confident75.8Confident121 Ų121119.4 Ų119.457%0.56560%0.599SS**Hα-helixtrans-73.6-29.5176.2-73.4172.7-164.800112.9R455 Q456R455-E459 IonicContact NE-OE1 3.46Å; R455-E459 WeakPolarHBondContact O-CG 3.4Å; R455-E459 PolarHBondContact O-N 3.45Å; Q456-E459 PolarHBondContact O-N 3.4Å
460R80.5Confident75Confident185 Ų185121 Ų12170%0.69861%0.605SS**SBendtrans-133.786.6176.2-68.1-168.8-176.995.51.9110.1Q456 T457 D462Q456-R460 PolarHBondContact O-N 3.14Å; T457-R460 CarbonylContact O-C 3.55Å; T457-R460 VanDerWaalsContact O-O 3.12Å; R460-D462 PolarHBondContact O-N 3.28Å
461P76.6Confident74.1Confident103 Ų103127.1 Ų127.167%0.66964%0.635SS**  trans-63.4128.2172.826.2-32.7000109.1V463P461-V463 PolarHBondContact O-N 3.29Å
462D66.3Low73.2Confident141 Ų141133.5 Ų133.575%0.75467%0.667SS**  trans-61133.2177.2-74.2-32.5000109.7R460 I464R460-D462 PolarHBondContact O-N 3.28Å; D462-I464 PolarHBondContact O-N 3.28Å; D462-I464 VanDerWaalsContact O-N 3.09Å
463V63.4Low72.2Confident128 Ų128136 Ų13678%0.77668%0.681SS**  trans-64.4112.7174.8178.60000107.6P461 V465P461-V463 PolarHBondContact O-N 3.29Å; V463-V465 HydrophobicContact CG1-CG2 4.06Å; V463-V465 PolarHBondContact O-N 3.31Å; V463-V465 VanDerWaalsContact O-N 3.16Å
464I60.8Low71.2Confident158 Ų158135.2 Ų135.281%0.8169%0.689SS**  trans-67.5112.2172.8-57.7169.1000106.6D462D462-I464 PolarHBondContact O-N 3.28Å; D462-I464 VanDerWaalsContact O-N 3.09Å
465V62.8Low70Confident115 Ų115137.5 Ų137.570%0.69771%0.709SS**  trans-107.6122.8172.9-1750000107.2V463 T467V463-V465 HydrophobicContact CG1-CG2 4.06Å; V463-V465 PolarHBondContact O-N 3.31Å; V463-V465 VanDerWaalsContact O-N 3.16Å; V465-T467 PolarHBondContact O-N 3.24Å
466D54.3Low68.7Low149 Ų149138.6 Ų138.680%0.79773%0.727SS**  trans-59.4119.7174.2-73.8-28.6000109.3E468D466-E468 PolarHBondContact O-N 2.9Å
467T55.2Low67.4Low120 Ų120141.9 Ų141.974%0.73675%0.749SS**  trans-74.6116.6173.746.20000109.2V465 L469V465-T467 PolarHBondContact O-N 3.24Å; T467-L469 PolarHBondContact O-N 2.83Å; T467-L469 VanDerWaalsContact O-N 3.12Å
468E55Low65.9Low203 Ų203146.9 Ų146.995%0.94977%0.769SS**  trans-64.9106.9169.8-62.6-176.717800109.4D466D466-E468 PolarHBondContact O-N 2.9Å
469L46.5Very low64.2Low230 Ų230150.3 Ų150.3100%1.20479%0.787SS**  trans-115.70170.6-97.6166.4000110.7T467T467-L469 PolarHBondContact O-N 2.83Å; T467-L469 VanDerWaalsContact O-N 3.12Å

Retrieved 469 of 469 residues in 1432.2 ms (Link to these results)

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