A0A093H5W8_STRCA Loading...

Cilia- and flagella-associated protein 206

Essential for sperm motility and is involved in the regulation of the beating frequency of motile cilia on the epithelial cells of the respiratory tract. Required for the establishment of radial spokes in sperm flagella.

AlphaFold DB , UniProt , Accession A0A093H5W8, Species STRCA (Struthio camelus australis), Gene n/a, Length 619 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
1M45.7Very low61.5Low166 Ų166100.4 Ų100.482%0.81853%0.53SS*.  0146.90-69.4-172.4-166.200108.3V53M1-V53 HydrophobicContact CE-CG1 3.39Å; M1-V53 HydrophobicContact CE-CG2 4.34Å
2S41.5Very low63.5Low66 Ų66102.5 Ų102.546%0.46253%0.532SS..  trans-64.4139.3172.7158.80000109.6H4 Q5 T6S2-H4 PolarHBondContact O-N 2.67Å; S2-H4 PolarHBondContact OG-N 3.24Å; S2-Q5 WeakPolarHBondContact O-CB 3.39Å; S2-Q5 PolarHBondContact O-N 2.91Å; S2-T6 PolarHBondContact O-N 3.14Å
3C49.3Very low65.4Low101 Ų10195.2 Ų95.268%0.68249%0.493SS*.Hα-helixtrans-48.2-36.6178.1-173.50000112.4Q5 T6 E7C3-Q5 PolarHBondContact O-N 3.24Å; C3-T6 PolarHBondContact O-N 3.38Å; C3-E7 PolarHBondContact O-N 3.49Å
4H46.4Very low67.1Low130 Ų13089.9 Ų89.960%0.60247%0.466SS*.Hα-helixtrans-68.1-28.1177-74.20.5000114.9S2 N8S2-H4 PolarHBondContact O-N 2.67Å; S2-H4 PolarHBondContact OG-N 3.24Å; H4-N8 PolarHBondContact O-N 3.39Å; H4-N8 PolarHBondContact O-ND2 3.41Å; H4-N8 VanDerWaalsContact O-ND2 3.15Å
5Q56.2Low68.7Low118 Ų11893.5 Ų93.555%0.55147%0.471SS*.Hα-helixtrans-73.7-39.9177-72.5176.1-26.500111S2 C3 N8 V9S2-Q5 WeakPolarHBondContact O-CB 3.39Å; S2-Q5 PolarHBondContact O-N 2.91Å; C3-Q5 PolarHBondContact O-N 3.24Å; Q5-N8 PolarHBondContact O-N 3.3Å; Q5-V9 WeakPolarHBondContact O-CG2 3.46Å; Q5-V9 PolarHBondContact O-N 3.16Å
6T61.8Low70.2Confident67 Ų6791.8 Ų91.841%0.41146%0.461SS..Hα-helixtrans-65.2-42176.6-49.30000111.4S2 C3 N8 V9 I10S2-T6 PolarHBondContact O-N 3.14Å; C3-T6 PolarHBondContact O-N 3.38Å; T6-N8 PolarHBondContact O-N 3.45Å; T6-V9 PolarHBondContact O-N 3.48Å; T6-I10 HydrophobicContact CG2-CD1 4.19Å; T6-I10 WeakPolarHBondContact O-CG1 3.28Å; T6-I10 PolarHBondContact O-N 2.79Å
7E65Low71.5Confident83 Ų8386.4 Ų86.439%0.38843%0.434SS..Hα-helixtrans-63.9-39.6178.8-156.1-168.6144.900112.7C3 I10 K11C3-E7 PolarHBondContact O-N 3.49Å; E7-I10 PolarHBondContact O-N 3.04Å; E7-K11 WeakPolarHBondContact O-CG 3.48Å; E7-K11 PolarHBondContact O-N 2.86Å; E7-K11 IonicContact OE1-NZ 3.68Å; E7-K11 PolarHBondContact OE1-NZ 3.37Å
8N73.2Confident72.6Confident104 Ų10482.7 Ų82.756%0.55642%0.421SS*.Hα-helixtrans-67.7-33.9176.1-76.6-27000112.9H4 Q5 T6 K12H4-N8 PolarHBondContact O-N 3.39Å; H4-N8 PolarHBondContact O-ND2 3.41Å; H4-N8 VanDerWaalsContact O-ND2 3.15Å; Q5-N8 PolarHBondContact O-N 3.3Å; T6-N8 PolarHBondContact O-N 3.45Å; N8-K12 PolarHBondContact O-N 2.9Å; N8-K12 VanDerWaalsContact O-N 3.13Å
9V75.9Confident73.7Confident77 Ų7784.7 Ų84.747%0.46743%0.429SS..Hα-helixtrans-67.2-45.8174.5172.10000110.4Q5 T6 K11 K12 I13Q5-V9 WeakPolarHBondContact O-CG2 3.46Å; Q5-V9 PolarHBondContact O-N 3.16Å; T6-V9 PolarHBondContact O-N 3.48Å; V9-K11 PolarHBondContact O-N 3.36Å; V9-K12 WeakPolarHBondContact O-CB 3.43Å; V9-K12 PolarHBondContact O-N 3.28Å; V9-I13 HydrophobicContact CG1-CD1 3.92Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.21Å
10I77.6Confident74.7Confident77 Ų7783.6 Ų83.640%0.39542%0.422SS..Hα-helixtrans-62-44.8178.2-66.8168.3000111.1T6 E7 K12 I13 I14T6-I10 HydrophobicContact CG2-CD1 4.19Å; T6-I10 WeakPolarHBondContact O-CG1 3.28Å; T6-I10 PolarHBondContact O-N 2.79Å; E7-I10 PolarHBondContact O-N 3.04Å; I10-K12 VanDerWaalsContact C-N 3.27Å; I10-K12 PolarHBondContact O-N 2.97Å; I10-I13 PolarHBondContact O-N 2.94Å; I10-I13 VanDerWaalsContact O-N 3.13Å; I10-I14 HydrophobicContact CG2-CD1 3.79Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 WeakPolarHBondContact O-CG1 3.26Å; I10-I14 PolarHBondContact O-N 2.96Å
11K83.4Confident75.6Confident115 Ų11579.6 Ų79.650%0.540%0.402SS..Hα-helixtrans-57.9-39.2175-78.8170.5169.91600112.5E7 V9 R15E7-K11 WeakPolarHBondContact O-CG 3.48Å; E7-K11 PolarHBondContact O-N 2.86Å; E7-K11 IonicContact OE1-NZ 3.68Å; E7-K11 PolarHBondContact OE1-NZ 3.37Å; V9-K11 PolarHBondContact O-N 3.36Å; K11-R15 PolarHBondContact O-N 2.66Å; K11-R15 VanDerWaalsContact O-N 3.13Å
12K86.4Confident77.8Confident126 Ų12674.2 Ų74.255%0.54838%0.384SS..Hα-helixtrans-65.4-43.9175.4-171.1-176.7174.3-170.90111.6N8 V9 I10 R15 E16N8-K12 PolarHBondContact O-N 2.9Å; N8-K12 VanDerWaalsContact O-N 3.13Å; V9-K12 WeakPolarHBondContact O-CB 3.43Å; V9-K12 PolarHBondContact O-N 3.28Å; I10-K12 VanDerWaalsContact C-N 3.27Å; I10-K12 PolarHBondContact O-N 2.97Å; K12-R15 PolarHBondContact O-N 3.29Å; K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 3.41Å
13I87.4Confident80.2Confident7 Ų775.5 Ų75.54%0.03639%0.393CS..Hα-helixtrans-61.1-46.3177.7-67.1168.3000110.7V9 I10 R15 E16 I17 V37 V59 L62 I63V9-I13 HydrophobicContact CG1-CD1 3.92Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.21Å; I10-I13 PolarHBondContact O-N 2.94Å; I10-I13 VanDerWaalsContact O-N 3.13Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.93Å; I13-E16 PolarHBondContact O-N 3.48Å; I13-I17 HydrophobicContact CG2-CD1 3.7Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 3.42Å; I13-V37 HydrophobicContact CG2-CG2 4.45Å; I13-V59 HydrophobicContact CD1-CG1 3.83Å; I13-V59 HydrophobicContact CD1-CG2 4.12Å; I13-V59 HydrophobicContact CG1-CG1 3.81Å; I13-L62 HydrophobicContact CG2-CD2 4.39Å; I13-I63 HydrophobicContact CG2-CG1 4.08Å
14I89.3Confident82.2Confident21 Ų2176.1 Ų76.111%0.10838%0.384CS..Hα-helixtrans-56.7-47.2177.2-70.7165.2000110.7I10 E16 I17 G18 E30 V33 A34I10-I14 HydrophobicContact CG2-CD1 3.79Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 WeakPolarHBondContact O-CG1 3.26Å; I10-I14 PolarHBondContact O-N 2.96Å; I14-E16 PolarHBondContact O-N 3.25Å; I14-I17 PolarHBondContact O-N 2.91Å; I14-G18 PolarHBondContact O-N 2.7Å; I14-E30 HydrophobicContact CG2-CB 4.09Å; I14-E30 HydrophobicContact CG2-CG 4.29Å; I14-V33 HydrophobicContact CB-CG1 4.14Å; I14-V33 HydrophobicContact CG1-CG1 4.25Å; I14-V33 HydrophobicContact CG2-CB 4.09Å; I14-V33 HydrophobicContact CG2-CG1 3.86Å; I14-A34 HydrophobicContact CD1-CB 3.77Å; I14-A34 HydrophobicContact CG1-CB 4.41Å
15R90.8Very high84.2Confident145 Ų14572.9 Ų72.955%0.54739%0.385SS..Hα-helixtrans-65-39.4179.1-168.9179.568.9-173.81.8112.4K11 K12 I13 G18 Q19K11-R15 PolarHBondContact O-N 2.66Å; K11-R15 VanDerWaalsContact O-N 3.13Å; K12-R15 PolarHBondContact O-N 3.29Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.93Å; R15-G18 PolarHBondContact O-N 3.24Å; R15-Q19 WeakPolarHBondContact O-CB 3.47Å; R15-Q19 VanDerWaalsContact O-CG 3.26Å; R15-Q19 WeakPolarHBondContact O-CG 3.48Å; R15-Q19 PolarHBondContact O-N 3.14Å
16E92.7Very high85.7Confident66 Ų6671 Ų7131%0.30838%0.377SS..Hα-helixtrans-64.9-45.5178.9-168.9166.8168.300111.4K12 I13 I14 G18 Q19 E20 I63K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 3.41Å; I13-E16 PolarHBondContact O-N 3.48Å; I14-E16 PolarHBondContact O-N 3.25Å; E16-G18 PolarHBondContact O-N 3.05Å; E16-Q19 PolarHBondContact O-N 3.19Å; E16-E20 PolarHBondContact O-N 3.31Å; E16-I63 HydrophobicContact CB-CD1 4.43Å; E16-I63 HydrophobicContact CG-CD1 4.03Å
17I92.9Very high87.1Confident0 Ų074.1 Ų74.10%040%0.396CS..Hα-helixtrans-59.7-47.4174-67.1163000110.7I13 I14 Q19 E20 C21 V33 V37 I63 C66 V67 L70I13-I17 HydrophobicContact CG2-CD1 3.7Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 3.42Å; I14-I17 PolarHBondContact O-N 2.91Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 3.25Å; I17-E20 PolarHBondContact O-N 3.21Å; I17-C21 PolarHBondContact O-N 3.39Å; I17-C21 PolarHBondContact O-SG 2.72Å; I17-V33 HydrophobicContact CB-CG1 3.76Å; I17-V33 HydrophobicContact CD1-CG1 4.06Å; I17-V33 HydrophobicContact CG2-CG1 3.65Å; I17-V33 HydrophobicContact CG2-CG2 4.22Å; I17-V37 HydrophobicContact CD1-CG2 3.44Å; I17-V37 VanDerWaalsContact CD1-CG2 3.44Å; I17-I63 HydrophobicContact CD1-CG1 4.41Å; I17-I63 HydrophobicContact CG1-CB 4.2Å; I17-I63 HydrophobicContact CG1-CG1 3.98Å; I17-I63 HydrophobicContact CG1-CG2 3.99Å; I17-C66 HydrophobicContact CD1-CB 3.7Å; I17-C66 HydrophobicContact CG1-CB 4.25Å; I17-C66 HydrophobicContact CG2-CB 4.21Å; I17-V67 HydrophobicContact CB-CG2 4.38Å; I17-V67 HydrophobicContact CG1-CG2 4.45Å; I17-V67 HydrophobicContact CG2-CG2 3.91Å; I17-L70 HydrophobicContact CG2-CD1 3.54Å
18G92Very high88.3Confident20 Ų2071.8 Ų71.821%0.20639%0.387CS..Hα-helixtrans-60.1-40.2178.400000112.9I14 R15 E16 A22I14-G18 PolarHBondContact O-N 2.7Å; R15-G18 PolarHBondContact O-N 3.24Å; E16-G18 PolarHBondContact O-N 3.05Å; G18-A22 WeakPolarHBondContact O-CB 3.41Å; G18-A22 PolarHBondContact O-N 3.13Å
19Q92.9Very high89.1Confident120 Ų12069.7 Ų69.756%0.56138%0.38SS*.Hα-helixtrans-66.1-41.5175.2-75.1175.1-11.600112.2R15 E16 I17 A22 S23R15-Q19 WeakPolarHBondContact O-CB 3.47Å; R15-Q19 VanDerWaalsContact O-CG 3.26Å; R15-Q19 WeakPolarHBondContact O-CG 3.48Å; R15-Q19 PolarHBondContact O-N 3.14Å; E16-Q19 PolarHBondContact O-N 3.19Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 3.25Å; Q19-A22 PolarHBondContact O-N 3.48Å; Q19-S23 WeakPolarHBondContact O-CB 3.31Å; Q19-S23 PolarHBondContact O-N 3.17Å
20E93.6Very high89.6Confident62 Ų6272.7 Ų72.729%0.2939%0.389SS..Hα-helixtrans-67.2-43.2178.7-164.4-178.415600111.7E16 I17 A22 S23 K24 I63 V67E16-E20 PolarHBondContact O-N 3.31Å; I17-E20 PolarHBondContact O-N 3.21Å; E20-A22 PolarHBondContact O-N 2.95Å; E20-S23 PolarHBondContact O-N 3.13Å; E20-S23 PolarHBondContact O-OG 3.48Å; E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 IonicContact OE1-NZ 2.72Å; E20-K24 PolarHBondContact OE1-NZ 3.2Å; E20-I63 WeakPolarHBondContact OE2-CG2 3.45Å; E20-V67 HydrophobicContact CB-CG2 3.98Å; E20-V67 HydrophobicContact CG-CG1 4.18Å; E20-V67 HydrophobicContact CG-CG2 4.22Å
21C92.8Very high90.1Very high0 Ų071.8 Ų71.80%039%0.388CS..Hα-helixtrans-59.4-45.2172.8-70.80000111.7I17 S23 K24 G25 Q26 V28I17-C21 PolarHBondContact O-N 3.39Å; I17-C21 PolarHBondContact O-SG 2.72Å; C21-S23 VanDerWaalsContact C-N 3.32Å; C21-S23 PolarHBondContact O-N 3.33Å; C21-K24 CarbonylContact O-C 3.58Å; C21-K24 WeakPolarHBondContact O-CA 3.49Å; C21-K24 PolarHBondContact O-N 3.14Å; C21-G25 PolarHBondContact O-N 2.96Å; C21-Q26 CarbonylContact C-O 3.05Å; C21-Q26 WeakPolarHBondContact CB-O 3.48Å; C21-Q26 PolarHBondContact O-N 3.32Å; C21-Q26 VanDerWaalsContact O-O 3.13Å; C21-V28 HydrophobicContact CB-CG2 3.85Å
22A92.3Very high90.4Very high53 Ų5366.9 Ų66.944%0.43837%0.367SS..Hα-helixtrans-62.8-38.8178.300000112.1G18 Q19 E20 K24 G25 Q26G18-A22 WeakPolarHBondContact O-CB 3.41Å; G18-A22 PolarHBondContact O-N 3.13Å; Q19-A22 PolarHBondContact O-N 3.48Å; E20-A22 PolarHBondContact O-N 2.95Å; A22-K24 PolarHBondContact O-N 3.48Å; A22-G25 PolarHBondContact O-N 3.39Å; A22-Q26 WeakPolarHBondContact CA-O 3.49Å; A22-Q26 PolarHBondContact N-O 3.13Å; A22-Q26 VanDerWaalsContact N-O 3.16Å
23S92.6Very high90.6Very high94 Ų9461 Ų6166%0.65734%0.341SS*.Hα-helixtrans-63.2-23.6175.477.70000113.4Q19 E20 C21Q19-S23 WeakPolarHBondContact O-CB 3.31Å; Q19-S23 PolarHBondContact O-N 3.17Å; E20-S23 PolarHBondContact O-N 3.13Å; E20-S23 PolarHBondContact O-OG 3.48Å; C21-S23 VanDerWaalsContact C-N 3.32Å; C21-S23 PolarHBondContact O-N 3.33Å
24K91.6Very high90.6Very high114 Ų11461.7 Ų61.750%0.49635%0.348SS..THydrogen-bonded Turntrans-98.812.3176.6-65.8172.1-175.9171.40112.7E20 C21 A22 V67 L71E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 IonicContact OE1-NZ 2.72Å; E20-K24 PolarHBondContact OE1-NZ 3.2Å; C21-K24 CarbonylContact O-C 3.58Å; C21-K24 WeakPolarHBondContact O-CA 3.49Å; C21-K24 PolarHBondContact O-N 3.14Å; A22-K24 PolarHBondContact O-N 3.48Å; K24-V67 HydrophobicContact CD-CG1 4.37Å; K24-L71 HydrophobicContact CB-CD1 4.01Å; K24-L71 HydrophobicContact CB-CD2 4.29Å; K24-L71 HydrophobicContact CD-CD1 3.34Å; K24-L71 HydrophobicContact CG-CD1 4.31Å
25G87.8Confident90.4Very high61 Ų6161.5 Ų61.563%0.62935%0.346SS*.THydrogen-bonded Turntrans90.48171.400000116.1C21 A22C21-G25 PolarHBondContact O-N 2.96Å; A22-G25 PolarHBondContact O-N 3.39Å
26Q88.6Confident90.4Very high80 Ų8054.7 Ų54.737%0.37432%0.321SS..  trans-118.5116.9179.9-69.1-65.6-23.900111.2C21 A22 L71C21-Q26 CarbonylContact C-O 3.05Å; C21-Q26 WeakPolarHBondContact CB-O 3.48Å; C21-Q26 PolarHBondContact O-N 3.32Å; C21-Q26 VanDerWaalsContact O-O 3.13Å; A22-Q26 WeakPolarHBondContact CA-O 3.49Å; A22-Q26 PolarHBondContact N-O 3.13Å; A22-Q26 VanDerWaalsContact N-O 3.16Å; Q26-L71 HydrophobicContact CB-CD2 3.69Å; Q26-L71 HydrophobicContact CG-CD2 3.65Å
27T89.4Confident90.2Very high132 Ų13252.1 Ų52.181%0.8131%0.31SS*.  trans-88.3117.7175.554.20000110.4
28V90.6Very high89.7Confident34 Ų3455 Ų5521%0.20632%0.323CS..  trans-116.8143.4-179.3-67.20000110.7C21 L32 V33 L70C21-V28 HydrophobicContact CB-CG2 3.85Å; V28-L32 HydrophobicContact CB-CD2 4.39Å; V28-L32 HydrophobicContact CG1-CD2 4.31Å; V28-V33 HydrophobicContact CB-CG2 4.11Å; V28-V33 HydrophobicContact CG2-CG2 3.46Å; V28-V33 VanDerWaalsContact CG2-CG2 3.46Å; V28-L70 HydrophobicContact CG1-CD2 4.4Å
29S89.9Confident89.5Confident59 Ų5954.2 Ų54.241%0.41331%0.314SS..  trans-74.7149.9177.369.10000111.3T31 L32 V33S29-T31 PolarHBondContact O-N 3.38Å; S29-L32 PolarHBondContact O-N 3.01Å; S29-L32 WeakPolarHBondContact OG-CB 3.34Å; S29-L32 PolarHBondContact OG-N 2.95Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 3.48Å
30E87.6Confident89.3Confident140 Ų14048.5 Ų48.565%0.65429%0.287SS*.Hα-helixtrans-58.6-34.3177.2-68.1-170.516600112.1I14 V33 A34I14-E30 HydrophobicContact CG2-CB 4.09Å; I14-E30 HydrophobicContact CG2-CG 4.29Å; E30-V33 PolarHBondContact O-N 3.25Å; E30-A34 VanDerWaalsContact O-CB 3.31Å; E30-A34 WeakPolarHBondContact O-CB 3.45Å; E30-A34 PolarHBondContact O-N 2.95Å
31T87.1Confident89Confident59 Ų5947.3 Ų47.336%0.36228%0.284SS..Hα-helixtrans-66.4-42.9177.5-43.80000112.2S29 A34 F35 V85 I89S29-T31 PolarHBondContact O-N 3.38Å; T31-A34 PolarHBondContact O-N 3.33Å; T31-F35 PolarHBondContact O-N 3.39Å; T31-V85 HydrophobicContact CG2-CG1 4.14Å; T31-I89 HydrophobicContact CG2-CD1 3.66Å; T31-I89 HydrophobicContact CG2-CG1 4.16Å
32L89.7Confident88.5Confident12 Ų1249.4 Ų49.46%0.06330%0.295CS..Hα-helixtrans-63.8-43175.9177.762.8000111V28 S29 F35 M36 L70 I81 K82 V85V28-L32 HydrophobicContact CB-CD2 4.39Å; V28-L32 HydrophobicContact CG1-CD2 4.31Å; S29-L32 PolarHBondContact O-N 3.01Å; S29-L32 WeakPolarHBondContact OG-CB 3.34Å; S29-L32 PolarHBondContact OG-N 2.95Å; L32-F35 PolarHBondContact O-N 3.28Å; L32-M36 WeakPolarHBondContact O-CB 3.36Å; L32-M36 PolarHBondContact O-N 3.48Å; L32-L70 HydrophobicContact CD2-CD2 4.16Å; L32-L70 HydrophobicContact CG-CD2 4.04Å; L32-I81 HydrophobicContact CD1-CG2 3.87Å; L32-K82 HydrophobicContact CD1-CG 4.16Å; L32-K82 HydrophobicContact CD2-CG 3.89Å; L32-V85 HydrophobicContact CB-CG1 4.46Å; L32-V85 HydrophobicContact CD1-CB 4.44Å; L32-V85 HydrophobicContact CD1-CG2 4.13Å
33V90.6Very high88.3Confident1 Ų146.9 Ų46.91%0.00627%0.274CS..Hα-helixtrans-62.6-43.7175.7175.60000110.9I14 I17 V28 S29 E30 F35 M36 V37 L70I14-V33 HydrophobicContact CB-CG1 4.14Å; I14-V33 HydrophobicContact CG1-CG1 4.25Å; I14-V33 HydrophobicContact CG2-CB 4.09Å; I14-V33 HydrophobicContact CG2-CG1 3.86Å; I17-V33 HydrophobicContact CB-CG1 3.76Å; I17-V33 HydrophobicContact CD1-CG1 4.06Å; I17-V33 HydrophobicContact CG2-CG1 3.65Å; I17-V33 HydrophobicContact CG2-CG2 4.22Å; V28-V33 HydrophobicContact CB-CG2 4.11Å; V28-V33 HydrophobicContact CG2-CG2 3.46Å; V28-V33 VanDerWaalsContact CG2-CG2 3.46Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 3.48Å; E30-V33 PolarHBondContact O-N 3.25Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.86Å; V33-M36 PolarHBondContact O-N 3.42Å; V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CG2 3.46Å; V33-V37 PolarHBondContact O-N 3.12Å; V33-L70 HydrophobicContact CG2-CD1 4.04Å
34A87.1Confident88Confident22 Ų2245.5 Ų45.518%0.18226%0.263CS..Hα-helixtrans-61.3-41.2177.600000112.1I14 E30 T31 K38I14-A34 HydrophobicContact CD1-CB 3.77Å; I14-A34 HydrophobicContact CG1-CB 4.41Å; E30-A34 VanDerWaalsContact O-CB 3.31Å; E30-A34 WeakPolarHBondContact O-CB 3.45Å; E30-A34 PolarHBondContact O-N 2.95Å; T31-A34 PolarHBondContact O-N 3.33Å; A34-K38 WeakPolarHBondContact O-CG 3.25Å; A34-K38 PolarHBondContact O-N 2.85Å
35F86.9Confident87.8Confident17 Ų1746.6 Ų46.68%0.07526%0.264CS..Hα-helixtrans-62.7-48173.4-175.5-84.1000111.1T31 L32 V33 V37 K38 A39 I81 V85 A477T31-F35 PolarHBondContact O-N 3.39Å; L32-F35 PolarHBondContact O-N 3.28Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.86Å; F35-V37 PolarHBondContact O-N 3.44Å; F35-K38 PolarHBondContact O-N 2.88Å; F35-K38 VanDerWaalsContact O-N 3.13Å; F35-A39 HydrophobicContact CE1-CB 4.41Å; F35-A39 PolarHBondContact O-N 3.03Å; F35-I81 HydrophobicContact CD1-CG2 3.44Å; F35-I81 VanDerWaalsContact CD1-CG2 3.44Å; F35-I81 HydrophobicContact CE1-CB 4.37Å; F35-I81 HydrophobicContact CE1-CG1 4.13Å; F35-I81 HydrophobicContact CE1-CG2 3.52Å; F35-I81 HydrophobicContact CG-CG2 4.48Å; F35-V85 HydrophobicContact CB-CG2 3.85Å; F35-V85 HydrophobicContact CD1-CG2 4.29Å; F35-V85 HydrophobicContact CD2-CG2 4.08Å; F35-V85 HydrophobicContact CG-CG2 3.82Å; F35-A477 HydrophobicContact CE1-CB 4.23Å
36M90.6Very high87.7Confident2 Ų245 Ų451%0.0124%0.241CC..Hα-helixtrans-60.8-42.3-179.7-175.560.767.700112.6L32 V33 K38 A39 V40 C66 R69 L70 L78 I81L32-M36 WeakPolarHBondContact O-CB 3.36Å; L32-M36 PolarHBondContact O-N 3.48Å; V33-M36 PolarHBondContact O-N 3.42Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.31Å; M36-A39 PolarHBondContact O-N 2.96Å; M36-V40 HydrophobicContact CG-CG2 4.39Å; M36-V40 WeakPolarHBondContact O-CB 3.43Å; M36-V40 WeakPolarHBondContact O-CG2 3.26Å; M36-V40 PolarHBondContact O-N 3.48Å; M36-V40 HydrophobicContact SD-CG2 4.15Å; M36-C66 HydrophobicContact CG-CB 4.17Å; M36-R69 HydrophobicContact CE-CB 4.02Å; M36-R69 HydrophobicContact SD-CB 3.74Å; M36-R69 HydrophobicContact SD-CG 4.41Å; M36-L70 HydrophobicContact CB-CD1 4.47Å; M36-L70 HydrophobicContact CB-CD2 4.17Å; M36-L70 HydrophobicContact CB-CG 4.37Å; M36-L70 HydrophobicContact CE-CD2 4.02Å; M36-L70 HydrophobicContact CE-CG 4.38Å; M36-L70 HydrophobicContact CG-CD1 4.32Å; M36-L70 HydrophobicContact CG-CD2 4.2Å; M36-L70 HydrophobicContact CG-CG 3.98Å; M36-L78 HydrophobicContact CE-CD1 4.03Å; M36-I81 HydrophobicContact CE-CD1 3.96Å
37V87.8Confident87.4Confident13 Ų1348.2 Ų48.28%0.07926%0.261CS..Hα-helixtrans-55.8-46.2175.1166.40000110.5I13 I17 V33 F35 V40 V41 L62I13-V37 HydrophobicContact CG2-CG2 4.45Å; I17-V37 HydrophobicContact CD1-CG2 3.44Å; I17-V37 VanDerWaalsContact CD1-CG2 3.44Å; V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CG2 3.46Å; V33-V37 PolarHBondContact O-N 3.12Å; F35-V37 PolarHBondContact O-N 3.44Å; V37-V40 PolarHBondContact O-N 2.93Å; V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.43Å; V37-L62 HydrophobicContact CG1-CD2 4.18Å
38K83Confident87Confident61 Ų6143.3 Ų43.327%0.26523%0.228SC..Hα-helixtrans-68.7-42.6179.6-61.6174-163.8176.70111.9A34 F35 M36 V40 V41 L42 Y491 L492A34-K38 WeakPolarHBondContact O-CG 3.25Å; A34-K38 PolarHBondContact O-N 2.85Å; F35-K38 PolarHBondContact O-N 2.88Å; F35-K38 VanDerWaalsContact O-N 3.13Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.31Å; K38-V40 VanDerWaalsContact C-N 3.31Å; K38-V40 PolarHBondContact O-N 3.16Å; K38-V41 PolarHBondContact O-N 3.01Å; K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 3.42Å; K38-Y491 WeakPolarHBondContact CD-O 3.25Å; K38-Y491 VanDerWaalsContact CE-O 3.26Å; K38-Y491 WeakPolarHBondContact CE-O 3.37Å; K38-Y491 PolarHBondContact NZ-O 3.47Å; K38-L492 HydrophobicContact CB-CD2 3.39Å; K38-L492 HydrophobicContact CD-CD2 3.68Å; K38-L492 HydrophobicContact CG-CD2 4.17Å; K38-L492 PolarHBondContact NZ-O 3.3Å
39A87Confident86Confident3 Ų346.4 Ų46.43%0.02524%0.244CC..Hα-helixtrans-57.7-43.617600000111.9F35 M36 L42 D43 A477F35-A39 HydrophobicContact CE1-CB 4.41Å; F35-A39 PolarHBondContact O-N 3.03Å; M36-A39 PolarHBondContact O-N 2.96Å; A39-L42 PolarHBondContact O-N 3.05Å; A39-D43 WeakPolarHBondContact O-CB 3.41Å; A39-D43 PolarHBondContact O-N 3.43Å; A39-D43 VanDerWaalsContact O-N 3.15Å; A39-A477 HydrophobicContact CB-CB 3.73Å
40V89.6Confident84.8Confident0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-66.1-40.1177169.50000111.9M36 V37 K38 N46 F48 L62 L65M36-V40 HydrophobicContact CG-CG2 4.39Å; M36-V40 WeakPolarHBondContact O-CB 3.43Å; M36-V40 WeakPolarHBondContact O-CG2 3.26Å; M36-V40 PolarHBondContact O-N 3.48Å; M36-V40 HydrophobicContact SD-CG2 4.15Å; V37-V40 PolarHBondContact O-N 2.93Å; K38-V40 VanDerWaalsContact C-N 3.31Å; K38-V40 PolarHBondContact O-N 3.16Å; V40-N46 PolarHBondContact O-ND2 2.83Å; V40-F48 HydrophobicContact CG1-CD2 4.48Å; V40-F48 HydrophobicContact CG1-CE2 3.88Å; V40-L62 HydrophobicContact CB-CD1 4.1Å; V40-L62 HydrophobicContact CG1-CD1 3.6Å; V40-L65 HydrophobicContact CG1-CB 3.78Å; V40-L65 HydrophobicContact CG1-CD1 3.99Å
41V85.4Confident83.7Confident37 Ų3749.7 Ų49.722%0.22427%0.265CS..Hα-helixtrans-69.1-34.3178.1170.10000112.2V37 K38 F48 V50 L62V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.43Å; K38-V41 PolarHBondContact O-N 3.01Å; V41-F48 HydrophobicContact CG1-CB 4.39Å; V41-V50 HydrophobicContact CG1-CG2 4.41Å; V41-L62 HydrophobicContact CG2-CD1 3.78Å; V41-L62 HydrophobicContact CG2-CD2 4.25Å
42L83.9Confident83Confident43 Ų4355 Ų5523%0.22528%0.278CS..Hα-helixtrans-78.3-25.9-179.3-72.6174.2000113.5K38 A39 P44 K474 F489 L492K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 3.42Å; A39-L42 PolarHBondContact O-N 3.05Å; L42-P44 WeakPolarHBondContact O-CD 3.44Å; L42-K474 HydrophobicContact CB-CG 4.42Å; L42-K474 WeakPolarHBondContact O-CB 3.49Å; L42-F489 HydrophobicContact CD1-CD1 3.8Å; L42-F489 HydrophobicContact CD1-CE1 4.09Å; L42-F489 HydrophobicContact CD2-CD1 4.36Å; L42-F489 HydrophobicContact CD2-CE1 4.46Å; L42-L492 HydrophobicContact CD1-CD1 3.99Å; L42-L492 HydrophobicContact CD1-CD2 3.82Å; L42-L492 HydrophobicContact CD1-CG 4.13Å
43D88Confident82.1Confident1 Ų159 Ų591%0.00530%0.303CS..  trans-66.9115.8-178.1-176.5-14.7000111.1A39 R45 N46 R69 K474A39-D43 WeakPolarHBondContact O-CB 3.41Å; A39-D43 PolarHBondContact O-N 3.43Å; A39-D43 VanDerWaalsContact O-N 3.15Å; D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 VanDerWaalsContact O-N 3.08Å; D43-R45 WeakPolarHBondContact OD1-CB 3.44Å; D43-R45 WeakPolarHBondContact OD1-CG 3.49Å; D43-R45 IonicContact OD1-CZ 2.72Å; D43-R45 PolarHBondContact OD1-N 3.23Å; D43-R45 IonicContact OD1-NE 3.12Å; D43-R45 PolarHBondContact OD1-NE 3.42Å; D43-R45 IonicContact OD1-NH2 2.75Å; D43-R45 IonicContact OD2-CZ 3.76Å; D43-R45 IonicContact OD2-NE 2.71Å; D43-R45 PolarHBondContact OD2-NE 3.37Å; D43-R45 IonicContact OD2-NH2 3.65Å; D43-R45 PolarHBondContact OD2-NH2 3.05Å; D43-N46 PolarHBondContact O-N 3.25Å; D43-N46 VanDerWaalsContact O-N 3.12Å; D43-R69 IonicContact OD2-CZ 3.71Å; D43-R69 IonicContact OD2-NH1 2.94Å; D43-R69 IonicContact OD2-NH2 3.63Å; D43-R69 PolarHBondContact OD2-NH2 3.49Å; D43-K474 WeakPolarHBondContact CA-O 3.2Å
44P85.1Confident81.5Confident65 Ų6562.5 Ų62.542%0.42232%0.321SS..G310 helixtrans-62.7-20.7-175.125.8-34.6000113.1L42 N46 D47 E475L42-P44 WeakPolarHBondContact O-CD 3.44Å; P44-N46 PolarHBondContact O-N 2.9Å; P44-D47 PolarHBondContact O-N 3.03Å; P44-E475 HydrophobicContact CG-CG 3.89Å
45R87.6Confident81.2Confident136 Ų13664.1 Ų64.151%0.51333%0.329SS..G310 helixtrans-71.7-16.1179.4-60.1172.4-65.5-1690.5113.5D43 E475D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 VanDerWaalsContact O-N 3.08Å; D43-R45 WeakPolarHBondContact OD1-CB 3.44Å; D43-R45 WeakPolarHBondContact OD1-CG 3.49Å; D43-R45 IonicContact OD1-CZ 2.72Å; D43-R45 PolarHBondContact OD1-N 3.23Å; D43-R45 IonicContact OD1-NE 3.12Å; D43-R45 PolarHBondContact OD1-NE 3.42Å; D43-R45 IonicContact OD1-NH2 2.75Å; D43-R45 IonicContact OD2-CZ 3.76Å; D43-R45 IonicContact OD2-NE 2.71Å; D43-R45 PolarHBondContact OD2-NE 3.37Å; D43-R45 IonicContact OD2-NH2 3.65Å; D43-R45 PolarHBondContact OD2-NH2 3.05Å; R45-E475 PolarHBondContact NH2-O 3.04Å
46N86.4Confident81Confident27 Ų2772.3 Ų72.314%0.14436%0.364CS..G310 helixtrans-93.2-1.7-178.7-62.3-33.7000112.9V40 D43 P44 F48 L65V40-N46 PolarHBondContact O-ND2 2.83Å; D43-N46 PolarHBondContact O-N 3.25Å; D43-N46 VanDerWaalsContact O-N 3.12Å; P44-N46 PolarHBondContact O-N 2.9Å; N46-F48 HydrophobicContact CB-CD2 3.63Å; N46-F48 HydrophobicContact CB-CE2 3.77Å; N46-F48 PolarHBondContact O-N 3.44Å; N46-F48 VanDerWaalsContact O-N 3.14Å; N46-L65 HydrophobicContact CB-CD1 4.16Å
47D81.4Confident80.8Confident148 Ų14879.5 Ų79.579%0.79140%0.398SS*.  trans54.929.6175.7-68.1-38.4000115.3P44P44-D47 PolarHBondContact O-N 3.03Å
48F81.9Confident80.6Confident29 Ų2981 Ų8113%0.12741%0.405CS..  trans-80.2126.1171.5-70.1-69.7000111V40 V41 N46 L54 D58 L62 L65V40-F48 HydrophobicContact CG1-CD2 4.48Å; V40-F48 HydrophobicContact CG1-CE2 3.88Å; V41-F48 HydrophobicContact CG1-CB 4.39Å; N46-F48 HydrophobicContact CB-CD2 3.63Å; N46-F48 HydrophobicContact CB-CE2 3.77Å; N46-F48 PolarHBondContact O-N 3.44Å; N46-F48 VanDerWaalsContact O-N 3.14Å; F48-L54 HydrophobicContact CD1-CD2 4.21Å; F48-D58 HydrophobicContact CE1-CB 4.27Å; F48-L62 HydrophobicContact CE1-CB 4.24Å; F48-L62 HydrophobicContact CE2-CD1 4.24Å; F48-L62 HydrophobicContact CZ-CB 3.83Å; F48-L62 HydrophobicContact CZ-CD1 4.23Å; F48-L65 HydrophobicContact CE2-CD1 3.82Å; F48-L65 HydrophobicContact CZ-CD1 4.18Å
49N69.6Low80.7Confident99 Ų9979.4 Ų79.453%0.52940%0.401SS..  trans-97.3113.3173.3-171.4-32.3000110.1D51 R52N49-D51 PolarHBondContact O-N 3.43Å; N49-D51 WeakPolarHBondContact OD1-CB 3.41Å; N49-D51 PolarHBondContact OD1-N 3.5Å; N49-R52 HydrophobicContact CB-CB 4.15Å; N49-R52 PolarHBondContact O-N 3.44Å; N49-R52 VanDerWaalsContact O-N 3.14Å
50V65.2Low80.8Confident108 Ų10884.9 Ų84.966%0.65543%0.426SS*.THydrogen-bonded Turntrans-61.3-26.6-177.4-173.20000112.4V41V41-V50 HydrophobicContact CG1-CG2 4.41Å
51D63.9Low80.9Confident160 Ų16088.1 Ų88.186%0.85644%0.443SS*.THydrogen-bonded Turntrans-87.1-7-178.2-61.6-40.8000113.5N49N49-D51 PolarHBondContact O-N 3.43Å; N49-D51 WeakPolarHBondContact OD1-CB 3.41Å; N49-D51 PolarHBondContact OD1-N 3.5Å
52R71.3Confident81.1Confident172 Ų17286.5 Ų86.565%0.64943%0.433SS*.SBendtrans-101.3141.3-178.9-169.7178.2175.7-175.4-1.8111.3N49 L54N49-R52 HydrophobicContact CB-CB 4.15Å; N49-R52 PolarHBondContact O-N 3.44Å; N49-R52 VanDerWaalsContact O-N 3.14Å; R52-L54 PolarHBondContact O-N 2.87Å
53V72.6Confident81.5Confident95 Ų9584.7 Ų84.758%0.57642%0.424SS*.PPolyproline II helixtrans-64.9123.8170.7-179.80000109.8M1 T55M1-V53 HydrophobicContact CE-CG1 3.39Å; M1-V53 HydrophobicContact CE-CG2 4.34Å; V53-T55 PolarHBondContact O-N 3.28Å
54L76.1Confident81.8Confident74 Ų7490.5 Ų90.539%0.38745%0.451SS..PPolyproline II helixtrans-59.4126.1176.5-66.5169000111.2F48 R52 D58 V59F48-L54 HydrophobicContact CD1-CD2 4.21Å; R52-L54 PolarHBondContact O-N 2.87Å; L54-D58 HydrophobicContact CB-CB 4.42Å; L54-D58 HydrophobicContact CD2-CB 3.9Å; L54-V59 HydrophobicContact CB-CG2 4.12Å
55T82.6Confident82.2Confident56 Ų5689.5 Ų89.534%0.34444%0.442SS..PPolyproline II helixtrans-79.4167.517071.50000110.9V53 Q57 D58 V59V53-T55 PolarHBondContact O-N 3.28Å; T55-Q57 PolarHBondContact O-N 3.05Å; T55-Q57 PolarHBondContact OG1-N 3.07Å; T55-D58 VanDerWaalsContact CB-OD2 3.28Å; T55-D58 WeakPolarHBondContact CB-OD2 3.37Å; T55-D58 WeakPolarHBondContact CG2-OD2 3.26Å; T55-D58 PolarHBondContact N-OD2 3.15Å; T55-D58 PolarHBondContact O-N 2.87Å; T55-D58 VanDerWaalsContact O-N 3.16Å; T55-D58 PolarHBondContact OG1-N 3.17Å; T55-D58 PolarHBondContact OG1-OD1 3.46Å; T55-D58 PolarHBondContact OG1-OD2 2.99Å; T55-V59 WeakPolarHBondContact O-CG2 3.49Å; T55-V59 PolarHBondContact O-N 3.32Å
56K82.6Confident82.5Confident190 Ų19083 Ų8383%0.82642%0.417SS*.Hα-helixtrans-59.4-34.7174.9-70.1-177.1174.1178.90112.5Q60K56-Q60 WeakPolarHBondContact O-CG 3.33Å; K56-Q60 PolarHBondContact O-N 3.4Å; K56-Q60 VanDerWaalsContact O-N 3.14Å
57Q85.1Confident82.8Confident153 Ų15381.8 Ų81.872%0.71541%0.411SS*.Hα-helixtrans-66.7-43.7176.2-165.481.915.200110.5T55 V59 Q60 N61T55-Q57 PolarHBondContact O-N 3.05Å; T55-Q57 PolarHBondContact OG1-N 3.07Å; Q57-V59 VanDerWaalsContact C-N 3.3Å; Q57-V59 PolarHBondContact O-N 2.9Å; Q57-Q60 PolarHBondContact O-N 3.44Å; Q57-N61 WeakPolarHBondContact O-CB 3.36Å; Q57-N61 PolarHBondContact O-N 3.22Å
58D84.3Confident83.5Confident44 Ų4479 Ų7924%0.23540%0.399CS..Hα-helixtrans-62.7-39.4178.8-54.9-34.6000111.2F48 L54 T55 N61 L62F48-D58 HydrophobicContact CE1-CB 4.27Å; L54-D58 HydrophobicContact CB-CB 4.42Å; L54-D58 HydrophobicContact CD2-CB 3.9Å; T55-D58 VanDerWaalsContact CB-OD2 3.28Å; T55-D58 WeakPolarHBondContact CB-OD2 3.37Å; T55-D58 WeakPolarHBondContact CG2-OD2 3.26Å; T55-D58 PolarHBondContact N-OD2 3.15Å; T55-D58 PolarHBondContact O-N 2.87Å; T55-D58 VanDerWaalsContact O-N 3.16Å; T55-D58 PolarHBondContact OG1-N 3.17Å; T55-D58 PolarHBondContact OG1-OD1 3.46Å; T55-D58 PolarHBondContact OG1-OD2 2.99Å; D58-N61 PolarHBondContact O-N 3.38Å; D58-L62 VanDerWaalsContact O-CB 3.26Å; D58-L62 WeakPolarHBondContact O-CB 3.5Å; D58-L62 PolarHBondContact O-N 3.13Å
59V85.9Confident84Confident28 Ų2881 Ų8117%0.1741%0.406CS..Hα-helixtrans-64.9-43.9175.9174.20000111.6I13 L54 T55 Q57 L62 I63I13-V59 HydrophobicContact CD1-CG1 3.83Å; I13-V59 HydrophobicContact CD1-CG2 4.12Å; I13-V59 HydrophobicContact CG1-CG1 3.81Å; L54-V59 HydrophobicContact CB-CG2 4.12Å; T55-V59 WeakPolarHBondContact O-CG2 3.49Å; T55-V59 PolarHBondContact O-N 3.32Å; Q57-V59 VanDerWaalsContact C-N 3.3Å; Q57-V59 PolarHBondContact O-N 2.9Å; V59-L62 PolarHBondContact O-N 3.28Å; V59-I63 HydrophobicContact CG1-CD1 3.93Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 3.41Å
60Q88.2Confident85.1Confident118 Ų11876.5 Ų76.555%0.55138%0.382SS*.Hα-helixtrans-63.5-43.1176.5-75.6-79.7-49.900111.6K56 Q57 I63 Q64K56-Q60 WeakPolarHBondContact O-CG 3.33Å; K56-Q60 PolarHBondContact O-N 3.4Å; K56-Q60 VanDerWaalsContact O-N 3.14Å; Q57-Q60 PolarHBondContact O-N 3.44Å; Q60-I63 PolarHBondContact O-N 3.15Å; Q60-Q64 WeakPolarHBondContact O-CB 3.43Å; Q60-Q64 PolarHBondContact O-N 3.05Å
61N90.7Very high86.5Confident68 Ų6873.6 Ų73.636%0.36436%0.362SS..Hα-helixtrans-62.2-43.9175.6-171.229.2000111.6Q57 D58 I63 Q64 L65Q57-N61 WeakPolarHBondContact O-CB 3.36Å; Q57-N61 PolarHBondContact O-N 3.22Å; D58-N61 PolarHBondContact O-N 3.38Å; N61-I63 PolarHBondContact O-N 3.03Å; N61-Q64 PolarHBondContact O-N 3.47Å; N61-L65 WeakPolarHBondContact O-CB 3.34Å; N61-L65 WeakPolarHBondContact O-CG 3.45Å; N61-L65 PolarHBondContact O-N 3.4Å
62L90.8Very high87.7Confident3 Ų368.5 Ų68.52%0.01634%0.335CS..Hα-helixtrans-58.7-47.8175.9176.561.1000111.7I13 V37 V40 V41 F48 D58 V59 Q64 L65 C66I13-L62 HydrophobicContact CG2-CD2 4.39Å; V37-L62 HydrophobicContact CG1-CD2 4.18Å; V40-L62 HydrophobicContact CB-CD1 4.1Å; V40-L62 HydrophobicContact CG1-CD1 3.6Å; V41-L62 HydrophobicContact CG2-CD1 3.78Å; V41-L62 HydrophobicContact CG2-CD2 4.25Å; F48-L62 HydrophobicContact CE1-CB 4.24Å; F48-L62 HydrophobicContact CE2-CD1 4.24Å; F48-L62 HydrophobicContact CZ-CB 3.83Å; F48-L62 HydrophobicContact CZ-CD1 4.23Å; D58-L62 VanDerWaalsContact O-CB 3.26Å; D58-L62 WeakPolarHBondContact O-CB 3.5Å; D58-L62 PolarHBondContact O-N 3.13Å; V59-L62 PolarHBondContact O-N 3.28Å; L62-Q64 VanDerWaalsContact C-N 3.35Å; L62-Q64 PolarHBondContact O-N 2.91Å; L62-L65 PolarHBondContact O-N 3.44Å; L62-C66 WeakPolarHBondContact O-CB 3.37Å; L62-C66 PolarHBondContact O-N 2.91Å; L62-C66 PolarHBondContact O-SG 3.22Å
63I91.5Very high88.5Confident4 Ų463.3 Ų63.32%0.02132%0.323CS..Hα-helixtrans-58.2-49.3176.7-68.7165.4000110I13 E16 I17 E20 V59 Q60 N61 L65 C66 V67I13-I63 HydrophobicContact CG2-CG1 4.08Å; E16-I63 HydrophobicContact CB-CD1 4.43Å; E16-I63 HydrophobicContact CG-CD1 4.03Å; I17-I63 HydrophobicContact CD1-CG1 4.41Å; I17-I63 HydrophobicContact CG1-CB 4.2Å; I17-I63 HydrophobicContact CG1-CG1 3.98Å; I17-I63 HydrophobicContact CG1-CG2 3.99Å; E20-I63 WeakPolarHBondContact OE2-CG2 3.45Å; V59-I63 HydrophobicContact CG1-CD1 3.93Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 3.41Å; Q60-I63 PolarHBondContact O-N 3.15Å; N61-I63 PolarHBondContact O-N 3.03Å; I63-L65 PolarHBondContact O-N 2.71Å; I63-C66 PolarHBondContact O-N 3.28Å; I63-V67 HydrophobicContact CG2-CG2 4.15Å; I63-V67 WeakPolarHBondContact O-CB 3.47Å; I63-V67 VanDerWaalsContact O-CG2 3.25Å; I63-V67 WeakPolarHBondContact O-CG2 3.49Å; I63-V67 PolarHBondContact O-N 3.04Å
64Q93.9Very high89.2Confident124 Ų12463.3 Ų63.358%0.57932%0.323SS*.Hα-helixtrans-60.1-44.7-179.5-175176.80.800112.3Q60 N61 L62 T68Q60-Q64 WeakPolarHBondContact O-CB 3.43Å; Q60-Q64 PolarHBondContact O-N 3.05Å; N61-Q64 PolarHBondContact O-N 3.47Å; L62-Q64 VanDerWaalsContact C-N 3.35Å; L62-Q64 PolarHBondContact O-N 2.91Å; Q64-T68 VanDerWaalsContact O-CB 3.31Å; Q64-T68 WeakPolarHBondContact O-CB 3.41Å; Q64-T68 PolarHBondContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.94Å
65L93.6Very high90Very high43 Ų4360.8 Ų60.823%0.22531%0.31CS..Hα-helixtrans-63.8-45.7177.7-73.2170.4000111.5V40 N46 F48 N61 L62 I63 T68 R69V40-L65 HydrophobicContact CG1-CB 3.78Å; V40-L65 HydrophobicContact CG1-CD1 3.99Å; N46-L65 HydrophobicContact CB-CD1 4.16Å; F48-L65 HydrophobicContact CE2-CD1 3.82Å; F48-L65 HydrophobicContact CZ-CD1 4.18Å; N61-L65 WeakPolarHBondContact O-CB 3.34Å; N61-L65 WeakPolarHBondContact O-CG 3.45Å; N61-L65 PolarHBondContact O-N 3.4Å; L62-L65 PolarHBondContact O-N 3.44Å; I63-L65 PolarHBondContact O-N 2.71Å; L65-T68 PolarHBondContact O-N 2.72Å; L65-R69 PolarHBondContact O-N 2.74Å
66C93.8Very high90.5Very high0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-62.9-47177.2-69.20000112I17 M36 L62 I63 T68 R69 L70I17-C66 HydrophobicContact CD1-CB 3.7Å; I17-C66 HydrophobicContact CG1-CB 4.25Å; I17-C66 HydrophobicContact CG2-CB 4.21Å; M36-C66 HydrophobicContact CG-CB 4.17Å; L62-C66 WeakPolarHBondContact O-CB 3.37Å; L62-C66 PolarHBondContact O-N 2.91Å; L62-C66 PolarHBondContact O-SG 3.22Å; I63-C66 PolarHBondContact O-N 3.28Å; C66-T68 VanDerWaalsContact C-N 3.33Å; C66-T68 PolarHBondContact O-N 3.38Å; C66-R69 PolarHBondContact O-N 3.18Å; C66-L70 WeakPolarHBondContact O-CB 3.11Å; C66-L70 VanDerWaalsContact O-CG 3.25Å; C66-L70 WeakPolarHBondContact O-CG 3.47Å; C66-L70 PolarHBondContact O-N 3.41Å
67V94.5Very high91.1Very high2 Ų250.2 Ų50.21%0.01226%0.262CS..Hα-helixtrans-63-41.4178.91720000110.6I17 E20 K24 I63 R69 L70 L71I17-V67 HydrophobicContact CB-CG2 4.38Å; I17-V67 HydrophobicContact CG1-CG2 4.45Å; I17-V67 HydrophobicContact CG2-CG2 3.91Å; E20-V67 HydrophobicContact CB-CG2 3.98Å; E20-V67 HydrophobicContact CG-CG1 4.18Å; E20-V67 HydrophobicContact CG-CG2 4.22Å; K24-V67 HydrophobicContact CD-CG1 4.37Å; I63-V67 HydrophobicContact CG2-CG2 4.15Å; I63-V67 WeakPolarHBondContact O-CB 3.47Å; I63-V67 VanDerWaalsContact O-CG2 3.25Å; I63-V67 WeakPolarHBondContact O-CG2 3.49Å; I63-V67 PolarHBondContact O-N 3.04Å; V67-R69 PolarHBondContact O-N 2.82Å; V67-L70 PolarHBondContact O-N 3.17Å; V67-L71 HydrophobicContact CG1-CD1 3.57Å; V67-L71 HydrophobicContact CG1-CG 4.26Å; V67-L71 WeakPolarHBondContact O-CB 3.1Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.91Å
68T94.4Very high91.5Very high90 Ų9043.1 Ų43.155%0.55223%0.229SC*.Hα-helixtrans-60.3-46.9176.6-57.40000111.1Q64 L65 C66 L71 D72Q64-T68 VanDerWaalsContact O-CB 3.31Å; Q64-T68 WeakPolarHBondContact O-CB 3.41Å; Q64-T68 PolarHBondContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.94Å; L65-T68 PolarHBondContact O-N 2.72Å; C66-T68 VanDerWaalsContact C-N 3.33Å; C66-T68 PolarHBondContact O-N 3.38Å; T68-L71 PolarHBondContact O-N 2.95Å; T68-D72 PolarHBondContact O-N 3.48Å
69R92.4Very high92Very high70 Ų7041.6 Ų41.626%0.26422%0.221SC..Hα-helixtrans-67-38.5177.6-72.5-170.4-177.8-175.20.8113.3M36 D43 L65 C66 V67 L71 D72M36-R69 HydrophobicContact CE-CB 4.02Å; M36-R69 HydrophobicContact SD-CB 3.74Å; M36-R69 HydrophobicContact SD-CG 4.41Å; D43-R69 IonicContact OD2-CZ 3.71Å; D43-R69 IonicContact OD2-NH1 2.94Å; D43-R69 IonicContact OD2-NH2 3.63Å; D43-R69 PolarHBondContact OD2-NH2 3.49Å; L65-R69 PolarHBondContact O-N 2.74Å; C66-R69 PolarHBondContact O-N 3.18Å; V67-R69 PolarHBondContact O-N 2.82Å; R69-L71 VanDerWaalsContact C-N 3.26Å; R69-L71 PolarHBondContact O-N 3.17Å; R69-D72 PolarHBondContact O-N 3.43Å
70L94.1Very high92.5Very high4 Ų440.3 Ų40.32%0.02121%0.213CC..Hα-helixtrans-71.4-21.1179.6-73166.8000113.4I17 V28 L32 V33 M36 C66 V67 L78I17-L70 HydrophobicContact CG2-CD1 3.54Å; V28-L70 HydrophobicContact CG1-CD2 4.4Å; L32-L70 HydrophobicContact CD2-CD2 4.16Å; L32-L70 HydrophobicContact CG-CD2 4.04Å; V33-L70 HydrophobicContact CG2-CD1 4.04Å; M36-L70 HydrophobicContact CB-CD1 4.47Å; M36-L70 HydrophobicContact CB-CD2 4.17Å; M36-L70 HydrophobicContact CB-CG 4.37Å; M36-L70 HydrophobicContact CE-CD2 4.02Å; M36-L70 HydrophobicContact CE-CG 4.38Å; M36-L70 HydrophobicContact CG-CD1 4.32Å; M36-L70 HydrophobicContact CG-CD2 4.2Å; M36-L70 HydrophobicContact CG-CG 3.98Å; C66-L70 WeakPolarHBondContact O-CB 3.11Å; C66-L70 VanDerWaalsContact O-CG 3.25Å; C66-L70 WeakPolarHBondContact O-CG 3.47Å; C66-L70 PolarHBondContact O-N 3.41Å; V67-L70 PolarHBondContact O-N 3.17Å; L70-L78 HydrophobicContact CD2-CD1 4.21Å; L70-L78 WeakPolarHBondContact O-CD2 3.31Å
71L93.1Very high92.8Very high47 Ų4735 Ų3525%0.24619%0.188CC..Hα-helixtrans-97.2-5.9177.2-64.3175.5000113.4K24 Q26 V67 T68 R69 T73K24-L71 HydrophobicContact CB-CD1 4.01Å; K24-L71 HydrophobicContact CB-CD2 4.29Å; K24-L71 HydrophobicContact CD-CD1 3.34Å; K24-L71 HydrophobicContact CG-CD1 4.31Å; Q26-L71 HydrophobicContact CB-CD2 3.69Å; Q26-L71 HydrophobicContact CG-CD2 3.65Å; V67-L71 HydrophobicContact CG1-CD1 3.57Å; V67-L71 HydrophobicContact CG1-CG 4.26Å; V67-L71 WeakPolarHBondContact O-CB 3.1Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.91Å; T68-L71 PolarHBondContact O-N 2.95Å; R69-L71 VanDerWaalsContact C-N 3.26Å; R69-L71 PolarHBondContact O-N 3.17Å; L71-T73 PolarHBondContact O-N 3.22Å
72D90.8Very high93Very high53 Ų5334.2 Ų34.228%0.28318%0.182SC..  trans-77.171.3174.7-1736.2000110.6T68 R69 T74 N75T68-D72 PolarHBondContact O-N 3.48Å; R69-D72 PolarHBondContact O-N 3.43Å; D72-T74 PolarHBondContact O-N 3.29Å; D72-T74 PolarHBondContact OD1-N 3.3Å; D72-T74 PolarHBondContact OD1-OG1 2.88Å; D72-N75 HydrophobicContact CB-CB 4.44Å; D72-N75 PolarHBondContact O-N 2.83Å; D72-N75 WeakPolarHBondContact OD1-CB 3.42Å; D72-N75 PolarHBondContact OD1-N 3.08Å; D72-N75 WeakPolarHBondContact OD2-CB 3.26Å; D72-N75 PolarHBondContact OD2-ND2 3.3Å
73T86.5Confident93.2Very high63 Ų6334.1 Ų34.139%0.38718%0.181SC..THydrogen-bonded Turntrans-73.52.7177.761.60000113.2L71 T356L71-T73 PolarHBondContact O-N 3.22Å; T73-T356 PolarHBondContact O-OG1 3.37Å
74T88.8Confident93.2Very high95 Ų9533.9 Ų33.958%0.58318%0.18SC*.THydrogen-bonded Turntrans-99.6-2.6177.858.40000112.8D72 T356 L360D72-T74 PolarHBondContact O-N 3.29Å; D72-T74 PolarHBondContact OD1-N 3.3Å; D72-T74 PolarHBondContact OD1-OG1 2.88Å; T74-T356 VanDerWaalsContact O-CG2 3.31Å; T74-T356 WeakPolarHBondContact O-CG2 3.46Å; T74-L360 WeakPolarHBondContact O-CD1 3.4Å
75N91.3Very high93.1Very high21 Ų2128.4 Ų28.411%0.11216%0.155CC..  trans-111.9121.2-174-171.9-18.4000111.4D72 S77 L78D72-N75 HydrophobicContact CB-CB 4.44Å; D72-N75 PolarHBondContact O-N 2.83Å; D72-N75 WeakPolarHBondContact OD1-CB 3.42Å; D72-N75 PolarHBondContact OD1-N 3.08Å; D72-N75 WeakPolarHBondContact OD2-CB 3.26Å; D72-N75 PolarHBondContact OD2-ND2 3.3Å; N75-S77 PolarHBondContact O-N 3.5Å; N75-S77 WeakPolarHBondContact OD1-CB 3.36Å; N75-S77 PolarHBondContact OD1-N 3.28Å; N75-L78 PolarHBondContact O-N 3.18Å
76P94.5Very high93Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-57.2-19.9177.9-25.735.1000114.3L78 D79 T80 E264 A265 N268 T356 Q357 L360P76-L78 VanDerWaalsContact C-N 3.33Å; P76-L78 PolarHBondContact O-N 2.74Å; P76-D79 PolarHBondContact O-N 2.84Å; P76-T80 PolarHBondContact O-N 3.05Å; P76-T80 PolarHBondContact O-OG1 3.46Å; P76-E264 HydrophobicContact CB-CB 4.28Å; P76-A265 HydrophobicContact CG-CB 4.37Å; P76-N268 HydrophobicContact CB-CB 4.25Å; P76-T356 HydrophobicContact CG-CG2 4.29Å; P76-Q357 HydrophobicContact CB-CB 4.31Å; P76-Q357 HydrophobicContact CG-CB 4.1Å; P76-L360 HydrophobicContact CG-CD1 3.69Å
77S94.1Very high92.9Very high24 Ų2428.4 Ų28.417%0.16815%0.153CC..Hα-helixtrans-52-50171.9-178.10000112.1N75 D79 T80 I81 E478N75-S77 PolarHBondContact O-N 3.5Å; N75-S77 WeakPolarHBondContact OD1-CB 3.36Å; N75-S77 PolarHBondContact OD1-N 3.28Å; S77-D79 VanDerWaalsContact C-N 3.34Å; S77-D79 PolarHBondContact O-N 3.42Å; S77-T80 PolarHBondContact O-N 2.85Å; S77-I81 WeakPolarHBondContact O-CG1 3.31Å; S77-I81 PolarHBondContact O-N 3.28Å; S77-E478 WeakPolarHBondContact CA-OE1 3.43Å; S77-E478 WeakPolarHBondContact CB-OE1 3.35Å; S77-E478 VanDerWaalsContact OG-CD 3.26Å; S77-E478 PolarHBondContact OG-OE1 3.45Å
78L94.5Very high92.5Very high5 Ų531.8 Ų31.83%0.02617%0.17CC..Hα-helixtrans-66.3-38.8-177.2178.561.1000111.3M36 L70 N75 P76 T80 I81 K82M36-L78 HydrophobicContact CE-CD1 4.03Å; L70-L78 HydrophobicContact CD2-CD1 4.21Å; L70-L78 WeakPolarHBondContact O-CD2 3.31Å; N75-L78 PolarHBondContact O-N 3.18Å; P76-L78 VanDerWaalsContact C-N 3.33Å; P76-L78 PolarHBondContact O-N 2.74Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-I81 PolarHBondContact O-N 2.69Å; L78-K82 HydrophobicContact CD1-CG 4.46Å; L78-K82 HydrophobicContact CG-CD 4.29Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 VanDerWaalsContact O-CG 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.9Å
79D95.3Very high92Very high12 Ų1231.8 Ų31.86%0.06417%0.166CC..Hα-helixtrans-66.7-37.9177.3-72.2-12.4000111.9P76 S77 K82 M83 F353 T356P76-D79 PolarHBondContact O-N 2.84Å; S77-D79 VanDerWaalsContact C-N 3.34Å; S77-D79 PolarHBondContact O-N 3.42Å; D79-K82 PolarHBondContact O-N 3.43Å; D79-K82 IonicContact OD1-NZ 3.42Å; D79-M83 VanDerWaalsContact O-CB 3.26Å; D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.85Å; D79-F353 HydrophobicContact CB-CB 4.35Å; D79-F353 WeakPolarHBondContact CB-O 3.44Å; D79-T356 WeakPolarHBondContact OD2-CB 3.47Å; D79-T356 PolarHBondContact OD2-OG1 3.22Å
80T96.2Very high91.8Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-62.6-44.5174.3-500000111.4P76 S77 L78 M83 Q84 N268 Q271 E478P76-T80 PolarHBondContact O-N 3.05Å; P76-T80 PolarHBondContact O-OG1 3.46Å; S77-T80 PolarHBondContact O-N 2.85Å; L78-T80 VanDerWaalsContact C-N 3.34Å; T80-M83 HydrophobicContact CG2-CE 4.44Å; T80-M83 WeakPolarHBondContact O-CB 3.37Å; T80-M83 PolarHBondContact O-N 3.34Å; T80-Q84 WeakPolarHBondContact O-CB 3.34Å; T80-Q84 VanDerWaalsContact O-CG 3.27Å; T80-Q84 WeakPolarHBondContact O-CG 3.38Å; T80-Q84 PolarHBondContact O-N 3.31Å; T80-N268 WeakPolarHBondContact OG1-CA 3.36Å; T80-N268 WeakPolarHBondContact OG1-CB 3.33Å; T80-N268 PolarHBondContact OG1-ND2 3.18Å; T80-N268 VanDerWaalsContact OG1-ND2 3.09Å; T80-Q271 HydrophobicContact CG2-CB 3.87Å; T80-Q271 HydrophobicContact CG2-CG 4.06Å; T80-E478 HydrophobicContact CG2-CB 3.8Å; T80-E478 HydrophobicContact CG2-CG 4.01Å
81I93.6Very high91.6Very high6 Ų633.9 Ų33.93%0.03118%0.179CC..Hα-helixtrans-64.3-43176.5-67.7168.1000111.1L32 F35 M36 S77 L78 M83 Q84 V85 A477L32-I81 HydrophobicContact CD1-CG2 3.87Å; F35-I81 HydrophobicContact CD1-CG2 3.44Å; F35-I81 VanDerWaalsContact CD1-CG2 3.44Å; F35-I81 HydrophobicContact CE1-CB 4.37Å; F35-I81 HydrophobicContact CE1-CG1 4.13Å; F35-I81 HydrophobicContact CE1-CG2 3.52Å; F35-I81 HydrophobicContact CG-CG2 4.48Å; M36-I81 HydrophobicContact CE-CD1 3.96Å; S77-I81 WeakPolarHBondContact O-CG1 3.31Å; S77-I81 PolarHBondContact O-N 3.28Å; L78-I81 PolarHBondContact O-N 2.69Å; I81-M83 VanDerWaalsContact C-N 3.31Å; I81-M83 PolarHBondContact O-N 2.95Å; I81-Q84 PolarHBondContact O-N 2.91Å; I81-V85 HydrophobicContact CG2-CG2 4.46Å; I81-V85 WeakPolarHBondContact O-CG2 3.3Å; I81-V85 PolarHBondContact O-N 3.45Å; I81-A477 HydrophobicContact CD1-CB 4.18Å; I81-A477 HydrophobicContact CG1-CB 4.49Å
82K94.2Very high91Very high53 Ų5332.8 Ų32.823%0.2318%0.177CC..Hα-helixtrans-60.9-42.2174.9-74.2170.1-179.2165.60111.2L32 L78 D79 V85 Y86 F353L32-K82 HydrophobicContact CD1-CG 4.16Å; L32-K82 HydrophobicContact CD2-CG 3.89Å; L78-K82 HydrophobicContact CD1-CG 4.46Å; L78-K82 HydrophobicContact CG-CD 4.29Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 VanDerWaalsContact O-CG 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.9Å; D79-K82 PolarHBondContact O-N 3.43Å; D79-K82 IonicContact OD1-NZ 3.42Å; K82-V85 PolarHBondContact O-N 3.08Å; K82-Y86 WeakPolarHBondContact O-CB 3.43Å; K82-Y86 PolarHBondContact O-N 2.87Å; K82-F353 HydrophobicContact CB-CD1 3.86Å; K82-F353 HydrophobicContact CB-CE1 3.57Å; K82-F353 HydrophobicContact CB-CZ 4.4Å; K82-F353 HydrophobicContact CD-CE1 4.42Å
83M95.3Very high90.2Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-62.7-45177.9-172.3171.249.400111.6D79 T80 I81 Y86 F87 N268 Q271 Y272 F275 L350 F353D79-M83 VanDerWaalsContact O-CB 3.26Å; D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.85Å; T80-M83 HydrophobicContact CG2-CE 4.44Å; T80-M83 WeakPolarHBondContact O-CB 3.37Å; T80-M83 PolarHBondContact O-N 3.34Å; I81-M83 VanDerWaalsContact C-N 3.31Å; I81-M83 PolarHBondContact O-N 2.95Å; M83-Y86 PolarHBondContact O-N 3.41Å; M83-F87 WeakPolarHBondContact O-CB 3.41Å; M83-F87 PolarHBondContact O-N 3.24Å; M83-N268 WeakPolarHBondContact CE-O 3.39Å; M83-Q271 HydrophobicContact CE-CB 3.72Å; M83-Q271 HydrophobicContact CE-CG 3.67Å; M83-Y272 HydrophobicContact SD-CD2 3.86Å; M83-Y272 HydrophobicContact SD-CG 4.28Å; M83-F275 HydrophobicContact CG-CD2 3.93Å; M83-F275 HydrophobicContact CG-CE2 3.9Å; M83-F275 HydrophobicContact SD-CD2 4.24Å; M83-L350 HydrophobicContact CG-CD2 3.58Å; M83-L350 HydrophobicContact SD-CD2 4.27Å; M83-F353 HydrophobicContact CB-CB 3.8Å; M83-F353 HydrophobicContact CB-CD1 4.39Å; M83-F353 HydrophobicContact CB-CD2 3.56Å; M83-F353 HydrophobicContact CB-CE2 4.23Å; M83-F353 HydrophobicContact CB-CG 3.66Å; M83-F353 HydrophobicContact CG-CB 4.15Å; M83-F353 HydrophobicContact CG-CD2 3.62Å; M83-F353 HydrophobicContact CG-CE2 4.35Å; M83-F353 HydrophobicContact CG-CG 4.12Å; M83-F353 HydrophobicContact SD-CB 4.06Å; M83-F353 HydrophobicContact SD-CD2 4.34Å
84Q92.6Very high90Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-58.7-53.8174.9-77.5175.4-12.700112T80 I81 Y86 F87 D88 Q271 F275 E478 Q481T80-Q84 WeakPolarHBondContact O-CB 3.34Å; T80-Q84 VanDerWaalsContact O-CG 3.27Å; T80-Q84 WeakPolarHBondContact O-CG 3.38Å; T80-Q84 PolarHBondContact O-N 3.31Å; I81-Q84 PolarHBondContact O-N 2.91Å; Q84-Y86 VanDerWaalsContact C-N 3.32Å; Q84-Y86 PolarHBondContact O-N 3.29Å; Q84-F87 PolarHBondContact O-N 3.02Å; Q84-D88 WeakPolarHBondContact O-CB 3Å; Q84-D88 PolarHBondContact O-N 3.05Å; Q84-Q271 HydrophobicContact CG-CG 3.88Å; Q84-F275 HydrophobicContact CG-CE2 4.44Å; Q84-F275 HydrophobicContact CG-CZ 4.3Å; Q84-E478 PolarHBondContact NE2-O 3.07Å; Q84-Q481 VanDerWaalsContact CA-OE1 3.24Å; Q84-Q481 HydrophobicContact CG-CB 3.91Å; Q84-Q481 HydrophobicContact CG-CG 4.25Å; Q84-Q481 VanDerWaalsContact CG-OE1 3.26Å; Q84-Q481 PolarHBondContact O-OE1 3.1Å
85V90.6Very high89.6Confident9 Ų932.7 Ų32.76%0.05517%0.174CC..Hα-helixtrans-62.3-39.7178173.50000111.5T31 L32 F35 I81 K82 I89T31-V85 HydrophobicContact CG2-CG1 4.14Å; L32-V85 HydrophobicContact CB-CG1 4.46Å; L32-V85 HydrophobicContact CD1-CB 4.44Å; L32-V85 HydrophobicContact CD1-CG2 4.13Å; F35-V85 HydrophobicContact CB-CG2 3.85Å; F35-V85 HydrophobicContact CD1-CG2 4.29Å; F35-V85 HydrophobicContact CD2-CG2 4.08Å; F35-V85 HydrophobicContact CG-CG2 3.82Å; I81-V85 HydrophobicContact CG2-CG2 4.46Å; I81-V85 WeakPolarHBondContact O-CG2 3.3Å; I81-V85 PolarHBondContact O-N 3.45Å; K82-V85 PolarHBondContact O-N 3.08Å; V85-I89 HydrophobicContact CG1-CD1 3.57Å; V85-I89 HydrophobicContact CG1-CG1 4.37Å; V85-I89 WeakPolarHBondContact O-CB 3.13Å; V85-I89 WeakPolarHBondContact O-CD1 3.38Å; V85-I89 WeakPolarHBondContact O-CG1 3.36Å; V85-I89 PolarHBondContact O-N 3.44Å; V85-I89 VanDerWaalsContact O-N 3.08Å
86Y92.4Very high89.4Confident37 Ų3735.3 Ų35.315%0.14519%0.186CC..Hα-helixtrans-62.1-47.9175.8172.1-90.8000110.9K82 M83 Q84 I89 N90 M346 N349 L350 F353K82-Y86 WeakPolarHBondContact O-CB 3.43Å; K82-Y86 PolarHBondContact O-N 2.87Å; M83-Y86 PolarHBondContact O-N 3.41Å; Q84-Y86 VanDerWaalsContact C-N 3.32Å; Q84-Y86 PolarHBondContact O-N 3.29Å; Y86-I89 PolarHBondContact O-N 3.18Å; Y86-N90 WeakPolarHBondContact CD2-ND2 3.39Å; Y86-N90 HydrophobicContact CE2-CB 4.35Å; Y86-N90 VanDerWaalsContact CE2-ND2 3.33Å; Y86-N90 WeakPolarHBondContact CE2-ND2 3.02Å; Y86-N90 WeakPolarHBondContact O-CB 3.31Å; Y86-N90 PolarHBondContact O-N 2.9Å; Y86-N90 PolarHBondContact O-ND2 2.88Å; Y86-M346 HydrophobicContact CD1-CE 4.45Å; Y86-M346 HydrophobicContact CE1-CE 3.8Å; Y86-M346 HydrophobicContact CE1-SD 3.64Å; Y86-M346 PolarHBondContact OH-SD 2.93Å; Y86-N349 HydrophobicContact CE1-CB 3.97Å; Y86-N349 HydrophobicContact CE2-CB 4.21Å; Y86-N349 VanDerWaalsContact OH-CB 3.31Å; Y86-N349 WeakPolarHBondContact OH-CB 3.48Å; Y86-N349 PolarHBondContact OH-ND2 3.36Å; Y86-L350 HydrophobicContact CD1-CD2 3.84Å; Y86-L350 HydrophobicContact CE1-CD2 4.17Å; Y86-L350 HydrophobicContact CE1-CG 4.4Å; Y86-F353 HydrophobicContact CD1-CE2 4.01Å; Y86-F353 HydrophobicContact CD2-CZ 4.49Å; Y86-F353 AromaticContact CG-CE2 3.92Å; Y86-F353 HydrophobicContact CG-CE2 3.92Å; Y86-F353 HydrophobicContact CG-CZ 4.07Å
87F91.5Very high88.9Confident6 Ų636.3 Ų36.33%0.02619%0.191CC..Hα-helixtrans-62.6-47.2179.2-164.3-89000110.7M83 Q84 I89 N90 Y91 F275 I278 L279 M346 L350M83-F87 WeakPolarHBondContact O-CB 3.41Å; M83-F87 PolarHBondContact O-N 3.24Å; Q84-F87 PolarHBondContact O-N 3.02Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.91Å; F87-N90 PolarHBondContact O-N 2.72Å; F87-Y91 HydrophobicContact CD1-CD1 4.46Å; F87-Y91 HydrophobicContact CD1-CG 4.11Å; F87-Y91 AromaticContact CE1-CD1 3.65Å; F87-Y91 HydrophobicContact CE1-CD1 3.65Å; F87-Y91 AromaticContact CE1-CD2 3.95Å; F87-Y91 HydrophobicContact CE1-CD2 3.95Å; F87-Y91 HydrophobicContact CE1-CE1 4.31Å; F87-Y91 AromaticContact CE1-CG 3.43Å; F87-Y91 HydrophobicContact CE1-CG 3.43Å; F87-Y91 VanDerWaalsContact CE1-CG 3.43Å; F87-Y91 HydrophobicContact CE2-CD2 4.02Å; F87-Y91 HydrophobicContact CE2-CG 4.21Å; F87-Y91 HydrophobicContact CZ-CD1 4.02Å; F87-Y91 AromaticContact CZ-CD2 3.48Å; F87-Y91 HydrophobicContact CZ-CD2 3.48Å; F87-Y91 VanDerWaalsContact CZ-CD2 3.48Å; F87-Y91 HydrophobicContact CZ-CE1 4.47Å; F87-Y91 HydrophobicContact CZ-CE2 4Å; F87-Y91 AromaticContact CZ-CG 3.49Å; F87-Y91 HydrophobicContact CZ-CG 3.49Å; F87-Y91 VanDerWaalsContact CZ-CG 3.49Å; F87-Y91 WeakPolarHBondContact O-CA 3.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.13Å; F87-Y91 PolarHBondContact O-N 3.25Å; F87-F275 HydrophobicContact CB-CD1 4.31Å; F87-F275 HydrophobicContact CB-CD2 4.08Å; F87-F275 HydrophobicContact CB-CE1 3.92Å; F87-F275 HydrophobicContact CB-CE2 3.66Å; F87-F275 HydrophobicContact CB-CG 4.39Å; F87-F275 HydrophobicContact CB-CZ 3.57Å; F87-F275 AromaticContact CD1-CD1 3.61Å; F87-F275 HydrophobicContact CD1-CD1 3.61Å; F87-F275 AromaticContact CD1-CE1 3.41Å; F87-F275 HydrophobicContact CD1-CE1 3.41Å; F87-F275 VanDerWaalsContact CD1-CE1 3.41Å; F87-F275 HydrophobicContact CD1-CG 4.33Å; F87-F275 AromaticContact CD1-CZ 3.97Å; F87-F275 HydrophobicContact CD1-CZ 3.97Å; F87-F275 HydrophobicContact CD2-CB 3.89Å; F87-F275 AromaticContact CD2-CD1 3.69Å; F87-F275 HydrophobicContact CD2-CD1 3.69Å; F87-F275 AromaticContact CD2-CD2 3.95Å; F87-F275 HydrophobicContact CD2-CD2 3.95Å; F87-F275 HydrophobicContact CD2-CE1 4.15Å; F87-F275 HydrophobicContact CD2-CE2 4.37Å; F87-F275 AromaticContact CD2-CG 3.58Å; F87-F275 HydrophobicContact CD2-CG 3.58Å; F87-F275 HydrophobicContact CD2-CZ 4.45Å; F87-F275 AromaticContact CE1-CD1 3.72Å; F87-F275 HydrophobicContact CE1-CD1 3.72Å; F87-F275 AromaticContact CE1-CE1 3.9Å; F87-F275 HydrophobicContact CE1-CE1 3.9Å; F87-F275 HydrophobicContact CE2-CB 3.76Å; F87-F275 AromaticContact CE2-CD1 3.81Å; F87-F275 HydrophobicContact CE2-CD1 3.81Å; F87-F275 AromaticContact CE2-CG 3.85Å; F87-F275 HydrophobicContact CE2-CG 3.85Å; F87-F275 AromaticContact CG-CD1 3.59Å; F87-F275 HydrophobicContact CG-CD1 3.59Å; F87-F275 HydrophobicContact CG-CD2 4.04Å; F87-F275 AromaticContact CG-CE1 3.55Å; F87-F275 HydrophobicContact CG-CE1 3.55Å; F87-F275 AromaticContact CG-CE2 4Å; F87-F275 HydrophobicContact CG-CE2 4Å; F87-F275 AromaticContact CG-CG 3.85Å; F87-F275 HydrophobicContact CG-CG 3.85Å; F87-F275 AromaticContact CG-CZ 3.75Å; F87-F275 HydrophobicContact CG-CZ 3.75Å; F87-F275 HydrophobicContact CZ-CB 4.4Å; F87-F275 AromaticContact CZ-CD1 3.82Å; F87-F275 HydrophobicContact CZ-CD1 3.82Å; F87-F275 HydrophobicContact CZ-CE1 4.44Å; F87-F275 HydrophobicContact CZ-CG 4.33Å; F87-I278 HydrophobicContact CE1-CD1 4.31Å; F87-I278 HydrophobicContact CZ-CB 4.37Å; F87-I278 HydrophobicContact CZ-CD1 4.26Å; F87-I278 HydrophobicContact CZ-CG2 4.09Å; F87-L279 HydrophobicContact CE2-CD2 4.28Å; F87-L279 HydrophobicContact CE2-CG 4.37Å; F87-M346 HydrophobicContact CD2-CE 3.74Å; F87-M346 HydrophobicContact CE2-CE 4.09Å; F87-M346 HydrophobicContact CG-CE 4.38Å; F87-L350 HydrophobicContact CD2-CD1 4.04Å; F87-L350 HydrophobicContact CD2-CD2 4.19Å; F87-L350 HydrophobicContact CE2-CD1 4.28Å
88D85.4Confident88.6Confident72 Ų7236.2 Ų36.239%0.38519%0.188SC..Hα-helixtrans-60.4-35.3179.1-80.5-6.1000114.2Q84 Q481Q84-D88 WeakPolarHBondContact O-CB 3Å; Q84-D88 PolarHBondContact O-N 3.05Å; D88-Q481 PolarHBondContact OD1-NE2 2.99Å
89I85.1Confident88.3Confident90 Ų9039.2 Ų39.246%0.46221%0.21SC..Hα-helixtrans-79.3-39.4-179.6-67.4168.3000111.5T31 V85 Y86 F87T31-I89 HydrophobicContact CG2-CD1 3.66Å; T31-I89 HydrophobicContact CG2-CG1 4.16Å; V85-I89 HydrophobicContact CG1-CD1 3.57Å; V85-I89 HydrophobicContact CG1-CG1 4.37Å; V85-I89 WeakPolarHBondContact O-CB 3.13Å; V85-I89 WeakPolarHBondContact O-CD1 3.38Å; V85-I89 WeakPolarHBondContact O-CG1 3.36Å; V85-I89 PolarHBondContact O-N 3.44Å; V85-I89 VanDerWaalsContact O-N 3.08Å; Y86-I89 PolarHBondContact O-N 3.18Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.91Å
90N88.4Confident88Confident66 Ų6641.8 Ų41.835%0.35322%0.222SC..Hα-helixtrans-101.8-26.1-167.3-63.1-80.7000113Y86 F87 A92 F342 M346Y86-N90 WeakPolarHBondContact CD2-ND2 3.39Å; Y86-N90 HydrophobicContact CE2-CB 4.35Å; Y86-N90 VanDerWaalsContact CE2-ND2 3.33Å; Y86-N90 WeakPolarHBondContact CE2-ND2 3.02Å; Y86-N90 WeakPolarHBondContact O-CB 3.31Å; Y86-N90 PolarHBondContact O-N 2.9Å; Y86-N90 PolarHBondContact O-ND2 2.88Å; F87-N90 PolarHBondContact O-N 2.72Å; N90-A92 PolarHBondContact O-N 2.52Å; N90-A92 VanDerWaalsContact O-N 3.16Å; N90-F342 VanDerWaalsContact O-CE2 3.29Å; N90-F342 WeakPolarHBondContact O-CE2 3.41Å; N90-F342 VanDerWaalsContact O-CZ 3.22Å; N90-F342 WeakPolarHBondContact O-CZ 3.49Å; N90-M346 HydrophobicContact CB-CE 4.19Å; N90-M346 HydrophobicContact CB-SD 3.71Å
91Y88.6Confident87.5Confident52 Ų5245.5 Ų45.520%0.20424%0.239CC..  trans-72.6107.2176.2-175.7-102.5000110F87 I278 L279 D282F87-Y91 HydrophobicContact CD1-CD1 4.46Å; F87-Y91 HydrophobicContact CD1-CG 4.11Å; F87-Y91 AromaticContact CE1-CD1 3.65Å; F87-Y91 HydrophobicContact CE1-CD1 3.65Å; F87-Y91 AromaticContact CE1-CD2 3.95Å; F87-Y91 HydrophobicContact CE1-CD2 3.95Å; F87-Y91 HydrophobicContact CE1-CE1 4.31Å; F87-Y91 AromaticContact CE1-CG 3.43Å; F87-Y91 HydrophobicContact CE1-CG 3.43Å; F87-Y91 VanDerWaalsContact CE1-CG 3.43Å; F87-Y91 HydrophobicContact CE2-CD2 4.02Å; F87-Y91 HydrophobicContact CE2-CG 4.21Å; F87-Y91 HydrophobicContact CZ-CD1 4.02Å; F87-Y91 AromaticContact CZ-CD2 3.48Å; F87-Y91 HydrophobicContact CZ-CD2 3.48Å; F87-Y91 VanDerWaalsContact CZ-CD2 3.48Å; F87-Y91 HydrophobicContact CZ-CE1 4.47Å; F87-Y91 HydrophobicContact CZ-CE2 4Å; F87-Y91 AromaticContact CZ-CG 3.49Å; F87-Y91 HydrophobicContact CZ-CG 3.49Å; F87-Y91 VanDerWaalsContact CZ-CG 3.49Å; F87-Y91 WeakPolarHBondContact O-CA 3.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.13Å; F87-Y91 PolarHBondContact O-N 3.25Å; Y91-I278 HydrophobicContact CE1-CG2 4.33Å; Y91-I278 HydrophobicContact CE2-CG2 3.99Å; Y91-I278 WeakPolarHBondContact OH-CG2 3.33Å; Y91-L279 HydrophobicContact CD2-CD2 4.19Å; Y91-L279 HydrophobicContact CE2-CD2 4.13Å; Y91-D282 WeakPolarHBondContact CE2-OD2 3.39Å; Y91-D282 PolarHBondContact OH-OD2 3.36Å
92A81.4Confident87.2Confident25 Ų2549.1 Ų49.121%0.20726%0.255CS..  trans-103.9138.916800000108.8N90 E96 L97N90-A92 PolarHBondContact O-N 2.52Å; N90-A92 VanDerWaalsContact O-N 3.16Å; A92-E96 HydrophobicContact CB-CB 4.44Å; A92-L97 HydrophobicContact CB-CB 4.4Å
93K74.9Confident87Confident93 Ų9354.3 Ų54.340%0.40427%0.274SS..  trans-59.1149.4170.8-68.5178.5-178.11710109.5G95 E96 L97K93-G95 VanDerWaalsContact C-N 3.27Å; K93-G95 PolarHBondContact O-N 3.03Å; K93-G95 VanDerWaalsContact O-N 3.1Å; K93-E96 PolarHBondContact O-N 3.44Å; K93-L97 PolarHBondContact O-N 3Å
94R81.1Confident86.8Confident62 Ų6257.3 Ų57.323%0.23429%0.292CS..Hα-helixtrans-40.5-52177.2177.2176.217594.914.9113.6E96 L97 L98 E336 L339R94-E96 VanDerWaalsContact C-N 3.35Å; R94-E96 PolarHBondContact O-N 3.07Å; R94-L97 PolarHBondContact O-N 2.82Å; R94-L98 HydrophobicContact CG-CD1 4.29Å; R94-L98 WeakPolarHBondContact O-CG 3.27Å; R94-L98 PolarHBondContact O-N 3.41Å; R94-L98 VanDerWaalsContact O-N 3.12Å; R94-E336 IonicContact CZ-OE1 3.03Å; R94-E336 IonicContact CZ-OE2 3.95Å; R94-E336 IonicContact NH1-OE1 3.16Å; R94-E336 PolarHBondContact NH1-OE1 3.3Å; R94-E336 IonicContact NH1-OE2 3.97Å; R94-E336 PolarHBondContact NH1-OE2 2.67Å; R94-E336 IonicContact NH2-OE1 2.77Å; R94-E336 PolarHBondContact NH2-OE1 2.73Å; R94-E336 IonicContact NH2-OE2 3.33Å; R94-L339 HydrophobicContact CG-CD2 4.04Å
95G81.4Confident86.6Confident53 Ų5360.5 Ų60.555%0.54631%0.308SS..Hα-helixtrans-63.5-36.8-177.900000114.1K93 S99K93-G95 VanDerWaalsContact C-N 3.27Å; K93-G95 PolarHBondContact O-N 3.03Å; K93-G95 VanDerWaalsContact O-N 3.1Å; G95-S99 WeakPolarHBondContact O-CB 3.37Å; G95-S99 PolarHBondContact O-N 3.26Å; G95-S99 VanDerWaalsContact O-N 3.11Å; G95-S99 PolarHBondContact O-OG 2.92Å
96E85.4Confident86.6Confident77 Ų7766.8 Ų66.836%0.3634%0.335SS..Hα-helixtrans-72.1-44.2179-70.4168.7-157.100111A92 K93 R94 L98 S99 E100 Q497A92-E96 HydrophobicContact CB-CB 4.44Å; K93-E96 PolarHBondContact O-N 3.44Å; R94-E96 VanDerWaalsContact C-N 3.35Å; R94-E96 PolarHBondContact O-N 3.07Å; E96-L98 PolarHBondContact O-N 3.32Å; E96-S99 PolarHBondContact O-N 3.44Å; E96-S99 PolarHBondContact O-OG 3.46Å; E96-E100 WeakPolarHBondContact O-CB 3.5Å; E96-E100 PolarHBondContact O-N 3.01Å; E96-Q497 PolarHBondContact OE1-NE2 2.88Å; E96-Q497 PolarHBondContact OE1-OE1 3.07Å; E96-Q497 PolarHBondContact OE2-NE2 3.28Å
97L85.8Confident86.6Confident20 Ų2067.3 Ų67.311%0.10535%0.351CS..Hα-helixtrans-55-51.9176.2-178.970.4000111.3A92 K93 R94 S99 E100 Q101 L339 F342A92-L97 HydrophobicContact CB-CB 4.4Å; K93-L97 PolarHBondContact O-N 3Å; R94-L97 PolarHBondContact O-N 2.82Å; L97-S99 PolarHBondContact O-N 2.97Å; L97-E100 PolarHBondContact O-N 3.49Å; L97-Q101 WeakPolarHBondContact O-CG 3.33Å; L97-Q101 PolarHBondContact O-N 2.54Å; L97-L339 HydrophobicContact CD2-CB 4.4Å; L97-L339 HydrophobicContact CD2-CD1 3.56Å; L97-F342 HydrophobicContact CD1-CD2 4.1Å; L97-F342 HydrophobicContact CD1-CE2 4.49Å; L97-F342 HydrophobicContact CD1-CG 4.22Å; L97-F342 HydrophobicContact CD2-CB 3.86Å; L97-F342 HydrophobicContact CD2-CD1 3.8Å; L97-F342 HydrophobicContact CD2-CD2 4.48Å; L97-F342 HydrophobicContact CD2-CG 3.78Å
98L87.7Confident86.7Confident22 Ų2276.1 Ų76.112%0.11538%0.384CS..Hα-helixtrans-63.8-43-179.3-64-178.9000111.6R94 E96 E100 Q101 H102 D335R94-L98 HydrophobicContact CG-CD1 4.29Å; R94-L98 WeakPolarHBondContact O-CG 3.27Å; R94-L98 PolarHBondContact O-N 3.41Å; R94-L98 VanDerWaalsContact O-N 3.12Å; E96-L98 PolarHBondContact O-N 3.32Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.32Å; L98-Q101 PolarHBondContact O-N 3.5Å; L98-H102 PolarHBondContact O-N 3.41Å; L98-D335 HydrophobicContact CD1-CB 4.23Å; L98-D335 HydrophobicContact CD2-CB 3.62Å
99S88.3Confident87Confident69 Ų6973.3 Ų73.348%0.48337%0.369SS..Hα-helixtrans-60.9-38.6178.376.60000112.7G95 E96 L97 R103G95-S99 WeakPolarHBondContact O-CB 3.37Å; G95-S99 PolarHBondContact O-N 3.26Å; G95-S99 VanDerWaalsContact O-N 3.11Å; G95-S99 PolarHBondContact O-OG 2.92Å; E96-S99 PolarHBondContact O-N 3.44Å; E96-S99 PolarHBondContact O-OG 3.46Å; L97-S99 PolarHBondContact O-N 2.97Å; S99-R103 WeakPolarHBondContact O-CB 3.47Å; S99-R103 PolarHBondContact O-N 3.2Å
100E87.7Confident87.5Confident66 Ų6670.7 Ų70.731%0.30836%0.361SS..Hα-helixtrans-69.9-42.8178.4-176.453.6-141.900111.3E96 L97 L98 R103 V104E96-E100 WeakPolarHBondContact O-CB 3.5Å; E96-E100 PolarHBondContact O-N 3.01Å; L97-E100 PolarHBondContact O-N 3.49Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.32Å; E100-R103 VanDerWaalsContact CD-CZ 3.42Å; E100-R103 VanDerWaalsContact CD-NE 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 3.28Å; E100-R103 IonicContact OE1-NE 3.93Å; E100-R103 PolarHBondContact OE1-NE 3.3Å; E100-R103 IonicContact OE1-NH2 2.72Å; E100-R103 PolarHBondContact OE1-NH2 3.29Å; E100-R103 IonicContact OE2-CZ 2.72Å; E100-R103 IonicContact OE2-NE 2.89Å; E100-R103 PolarHBondContact OE2-NE 3.01Å; E100-R103 IonicContact OE2-NH1 3.73Å; E100-R103 IonicContact OE2-NH2 2.74Å; E100-R103 PolarHBondContact OE2-NH2 3.49Å; E100-V104 WeakPolarHBondContact O-CG2 3.5Å; E100-V104 PolarHBondContact O-N 2.91Å
101Q86.2Confident87.8Confident77 Ų7770.8 Ų70.836%0.3637%0.366SS..Hα-helixtrans-63.1-44.4176.7-68.5-58.1-33.700112L97 L98 R103 V104 L105 L338L97-Q101 WeakPolarHBondContact O-CG 3.33Å; L97-Q101 PolarHBondContact O-N 2.54Å; L98-Q101 PolarHBondContact O-N 3.5Å; Q101-R103 VanDerWaalsContact C-N 3.27Å; Q101-R103 PolarHBondContact O-N 3.12Å; Q101-V104 PolarHBondContact O-N 2.96Å; Q101-L105 WeakPolarHBondContact O-CB 3.45Å; Q101-L105 PolarHBondContact O-N 3.2Å; Q101-L338 HydrophobicContact CB-CD1 4.45Å; Q101-L338 HydrophobicContact CG-CD1 4.46Å
102H86.4Confident88.1Confident82 Ų8269.8 Ų69.838%0.3837%0.365SS..Hα-helixtrans-62.8-35.7174.7-65.2163.1000111.6L98 K106 D335L98-H102 PolarHBondContact O-N 3.41Å; H102-K106 VanDerWaalsContact O-CB 3.26Å; H102-K106 WeakPolarHBondContact O-CB 3.41Å; H102-K106 PolarHBondContact O-N 3.42Å; H102-D335 IonicContact CD2-OD1 2.94Å; H102-D335 IonicContact CE1-OD1 3.81Å; H102-D335 IonicContact CE1-OD2 2.84Å; H102-D335 PolarHBondContact CE1-OD2 3.03Å; H102-D335 IonicContact NE2-OD1 3.88Å; H102-D335 PolarHBondContact NE2-OD1 3.44Å; H102-D335 IonicContact NE2-OD2 3.44Å; H102-D335 PolarHBondContact NE2-OD2 2.98Å
103R91.9Very high88.7Confident163 Ų16369.2 Ų69.262%0.61536%0.36SS*.Hα-helixtrans-63.3-46.8173.3-173.2-176.980.3165.44.9111.8S99 E100 Q101 K106 G107S99-R103 WeakPolarHBondContact O-CB 3.47Å; S99-R103 PolarHBondContact O-N 3.2Å; E100-R103 VanDerWaalsContact CD-CZ 3.42Å; E100-R103 VanDerWaalsContact CD-NE 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 IonicContact OE1-CZ 3.28Å; E100-R103 IonicContact OE1-NE 3.93Å; E100-R103 PolarHBondContact OE1-NE 3.3Å; E100-R103 IonicContact OE1-NH2 2.72Å; E100-R103 PolarHBondContact OE1-NH2 3.29Å; E100-R103 IonicContact OE2-CZ 2.72Å; E100-R103 IonicContact OE2-NE 2.89Å; E100-R103 PolarHBondContact OE2-NE 3.01Å; E100-R103 IonicContact OE2-NH1 3.73Å; E100-R103 IonicContact OE2-NH2 2.74Å; E100-R103 PolarHBondContact OE2-NH2 3.49Å; Q101-R103 VanDerWaalsContact C-N 3.27Å; Q101-R103 PolarHBondContact O-N 3.12Å; R103-K106 PolarHBondContact O-N 2.89Å; R103-G107 PolarHBondContact O-N 3.23Å
104V90.7Very high89.6Confident63 Ų6371.2 Ų71.238%0.38237%0.365SS..Hα-helixtrans-62.5-47.1178.21710000110.8E100 Q101 K106 G107 R108E100-V104 WeakPolarHBondContact O-CG2 3.5Å; E100-V104 PolarHBondContact O-N 2.91Å; Q101-V104 PolarHBondContact O-N 2.96Å; V104-K106 PolarHBondContact O-N 3.02Å; V104-G107 PolarHBondContact O-N 3.32Å; V104-G107 VanDerWaalsContact O-N 3.15Å; V104-R108 WeakPolarHBondContact O-CG 3.31Å; V104-R108 PolarHBondContact O-N 3.09Å
105L88.5Confident90.2Very high66 Ų6673.8 Ų73.835%0.34638%0.38SS..Hα-helixtrans-59.4-46.9176.718060.9000111.2Q101 G107 R108 L109Q101-L105 WeakPolarHBondContact O-CB 3.45Å; Q101-L105 PolarHBondContact O-N 3.2Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.44Å; L105-R108 PolarHBondContact O-N 3.36Å; L105-R108 VanDerWaalsContact O-N 3.13Å; L105-L109 HydrophobicContact CD1-CD1 4.07Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 2.75Å
106K89.9Confident90.9Very high142 Ų14271.3 Ų71.362%0.61735%0.354SS*.Hα-helixtrans-59.1-40175.4-173.7-178.9178.7-173.30111.9H102 R103 V104 L109 A110H102-K106 VanDerWaalsContact O-CB 3.26Å; H102-K106 WeakPolarHBondContact O-CB 3.41Å; H102-K106 PolarHBondContact O-N 3.42Å; R103-K106 PolarHBondContact O-N 2.89Å; V104-K106 PolarHBondContact O-N 3.02Å; K106-L109 PolarHBondContact O-N 2.97Å; K106-A110 PolarHBondContact O-N 2.82Å
107G93.1Very high91.3Very high47 Ų4767.7 Ų67.749%0.48534%0.337SS..Hα-helixtrans-61.2-43.3174.300000112.7R103 V104 L105 A110R103-G107 PolarHBondContact O-N 3.23Å; V104-G107 PolarHBondContact O-N 3.32Å; V104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.44Å; G107-A110 WeakPolarHBondContact O-CB 3.39Å; G107-A110 PolarHBondContact O-N 3.23Å
108R92.4Very high91.6Very high191 Ų19170.8 Ų70.872%0.72135%0.354SS*.Hα-helixtrans-66.7-34.5176.8-69.1175.367.5-171.70.6113V104 L105 P111V104-R108 WeakPolarHBondContact O-CG 3.31Å; V104-R108 PolarHBondContact O-N 3.09Å; L105-R108 PolarHBondContact O-N 3.36Å; L105-R108 VanDerWaalsContact O-N 3.13Å; R108-P111 WeakPolarHBondContact O-CD 3.35Å
109L93.2Very high91.7Very high13 Ų1370.8 Ų70.87%0.06836%0.355CS..Hα-helixtrans-81.5-16.7178.4-66.3172.2000113.3L105 K106 P111 V112 A113 Y137 L140L105-L109 HydrophobicContact CD1-CD1 4.07Å; L105-L109 HydrophobicContact CD1-CG 4.24Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 2.75Å; K106-L109 PolarHBondContact O-N 2.97Å; L109-P111 VanDerWaalsContact C-CD 3.47Å; L109-V112 PolarHBondContact O-N 3.05Å; L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 3.39Å; L109-Y137 HydrophobicContact CB-CE2 4.1Å; L109-L140 HydrophobicContact CD2-CB 3.66Å
110A94Very high91.8Very high36 Ų3675 Ų7530%0.29836%0.36SS..Hα-helixtrans-58.1-36.9-175.500000115.3K106 G107 R114K106-A110 PolarHBondContact O-N 2.82Å; G107-A110 WeakPolarHBondContact O-CB 3.39Å; G107-A110 PolarHBondContact O-N 3.23Å; A110-R114 WeakPolarHBondContact O-CB 3.32Å; A110-R114 VanDerWaalsContact O-CG 3.25Å; A110-R114 WeakPolarHBondContact O-CG 3.45Å; A110-R114 PolarHBondContact O-N 2.98Å; A110-R114 PolarHBondContact O-NE 3.27Å
111P95.1Very high91.8Very high68 Ų6872.7 Ų72.744%0.44235%0.351SS..Hα-helixtrans-63.2-48.1174.3-2234.5000112.5R108 L109 R114 E115R108-P111 WeakPolarHBondContact O-CD 3.35Å; L109-P111 VanDerWaalsContact C-CD 3.47Å; P111-R114 PolarHBondContact O-N 2.91Å; P111-E115 PolarHBondContact O-N 2.86Å
112V94.3Very high91.8Very high31 Ų3180 Ų8019%0.18838%0.375CS..Hα-helixtrans-66.1-41.2-179.7-1740000110.8L109 R114 E115 I116 T133 Y137L109-V112 PolarHBondContact O-N 3.05Å; V112-R114 VanDerWaalsContact C-N 3.34Å; V112-R114 PolarHBondContact O-N 2.92Å; V112-E115 WeakPolarHBondContact O-CB 3.48Å; V112-E115 PolarHBondContact O-N 3.39Å; V112-I116 HydrophobicContact CG1-CD1 4.29Å; V112-I116 WeakPolarHBondContact O-CG1 3.25Å; V112-I116 PolarHBondContact O-N 3.01Å; V112-I116 VanDerWaalsContact O-N 3.1Å; V112-T133 HydrophobicContact CG1-CG2 3.82Å; V112-Y137 HydrophobicContact CB-CD2 4.47Å; V112-Y137 HydrophobicContact CG1-CD2 4.29Å
113A94.3Very high91.9Very high12 Ų1280.1 Ų80.110%0.09938%0.382CS..Hα-helixtrans-62-40.4174.300000112.2L109 I116 T117 Y137L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 3.39Å; A113-I116 PolarHBondContact O-N 3.49Å; A113-T117 WeakPolarHBondContact O-CB 3.4Å; A113-T117 WeakPolarHBondContact O-CG2 3.38Å; A113-T117 PolarHBondContact O-N 3.03Å; A113-T117 PolarHBondContact O-OG1 3.43Å; A113-Y137 HydrophobicContact CB-CD2 4.35Å; A113-Y137 HydrophobicContact CB-CE2 3.9Å
114R94.4Very high91.8Very high136 Ų13679.6 Ų79.651%0.51338%0.384SS..Hα-helixtrans-64.7-44175.6-79.1-176.7-67.8170.7-0.4111.8A110 P111 V112 I116 T117 D118A110-R114 WeakPolarHBondContact O-CB 3.32Å; A110-R114 VanDerWaalsContact O-CG 3.25Å; A110-R114 WeakPolarHBondContact O-CG 3.45Å; A110-R114 PolarHBondContact O-N 2.98Å; A110-R114 PolarHBondContact O-NE 3.27Å; P111-R114 PolarHBondContact O-N 2.91Å; V112-R114 VanDerWaalsContact C-N 3.34Å; V112-R114 PolarHBondContact O-N 2.92Å; R114-I116 VanDerWaalsContact C-N 3.3Å; R114-I116 PolarHBondContact O-N 3.35Å; R114-T117 WeakPolarHBondContact CA-OG1 3.32Å; R114-T117 PolarHBondContact O-N 3.26Å; R114-T117 PolarHBondContact O-OG1 2.84Å; R114-D118 VanDerWaalsContact O-CB 3.25Å; R114-D118 WeakPolarHBondContact O-CB 3.17Å; R114-D118 PolarHBondContact O-N 3.08Å
115E94.8Very high91.8Very high116 Ų11683.2 Ų83.254%0.54240%0.397SS..Hα-helixtrans-54.4-47175.5-170.5-173.2145.900111.6P111 V112 S119 T133P111-E115 PolarHBondContact O-N 2.86Å; V112-E115 WeakPolarHBondContact O-CB 3.48Å; V112-E115 PolarHBondContact O-N 3.39Å; E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.13Å; E115-T133 HydrophobicContact CG-CG2 4.37Å; E115-T133 PolarHBondContact OE1-OG1 2.85Å
116I94.5Very high91.8Very high1 Ų184.1 Ų84.11%0.00540%0.4CS..Hα-helixtrans-66.6-48.8177.9-62.6162.5000111.4V112 A113 R114 D118 S119 T133 I134 Y137 F172 L184V112-I116 HydrophobicContact CG1-CD1 4.29Å; V112-I116 WeakPolarHBondContact O-CG1 3.25Å; V112-I116 PolarHBondContact O-N 3.01Å; V112-I116 VanDerWaalsContact O-N 3.1Å; A113-I116 PolarHBondContact O-N 3.49Å; R114-I116 VanDerWaalsContact C-N 3.3Å; R114-I116 PolarHBondContact O-N 3.35Å; I116-D118 PolarHBondContact O-N 3.49Å; I116-S119 WeakPolarHBondContact O-CB 3.29Å; I116-S119 PolarHBondContact O-N 3.21Å; I116-S119 PolarHBondContact O-OG 2.95Å; I116-T133 HydrophobicContact CD1-CG2 4.06Å; I116-T133 HydrophobicContact CG1-CG2 3.6Å; I116-I134 HydrophobicContact CD1-CG1 4.01Å; I116-I134 HydrophobicContact CG1-CG1 4.19Å; I116-I134 HydrophobicContact CG2-CD1 4.25Å; I116-I134 HydrophobicContact CG2-CG1 3.79Å; I116-Y137 HydrophobicContact CD1-CD2 4.41Å; I116-Y137 HydrophobicContact CD1-CG 4.06Å; I116-F172 HydrophobicContact CG2-CE1 3.69Å; I116-F172 HydrophobicContact CG2-CZ 3.8Å; I116-L184 HydrophobicContact CB-CD1 4.33Å; I116-L184 HydrophobicContact CD1-CD1 4.13Å; I116-L184 HydrophobicContact CD1-CD2 4.25Å; I116-L184 HydrophobicContact CG2-CD1 4.05Å; I116-L184 HydrophobicContact CG2-CD2 4.29Å
117T93.9Very high91.8Very high1 Ų180.6 Ų80.61%0.00639%0.386CS..Hα-helixtrans-70-35.2-172.2530000113.2A113 R114 R120 K177 K180 E181A113-T117 WeakPolarHBondContact O-CB 3.4Å; A113-T117 WeakPolarHBondContact O-CG2 3.38Å; A113-T117 PolarHBondContact O-N 3.03Å; A113-T117 PolarHBondContact O-OG1 3.43Å; R114-T117 WeakPolarHBondContact CA-OG1 3.32Å; R114-T117 PolarHBondContact O-N 3.26Å; R114-T117 PolarHBondContact O-OG1 2.84Å; T117-R120 PolarHBondContact O-NH1 3.04Å; T117-K177 HydrophobicContact CG2-CG 4.4Å; T117-K180 HydrophobicContact CG2-CB 3.84Å; T117-K180 HydrophobicContact CG2-CD 4.45Å; T117-K180 PolarHBondContact O-NZ 3.19Å; T117-E181 HydrophobicContact CG2-CG 3.85Å
118D92.5Very high91.7Very high85 Ų8581.5 Ų81.546%0.45538%0.377SS..Hα-helixtrans-86.7-11.7-179.3-60-28.5000112R114 I116 R120 K177R114-D118 VanDerWaalsContact O-CB 3.25Å; R114-D118 WeakPolarHBondContact O-CB 3.17Å; R114-D118 PolarHBondContact O-N 3.08Å; I116-D118 PolarHBondContact O-N 3.49Å; D118-R120 PolarHBondContact O-NH1 2.96Å; D118-K177 IonicContact OD1-NZ 3.52Å; D118-K177 PolarHBondContact OD1-NZ 3.27Å; D118-K177 IonicContact OD2-NZ 2.56Å; D118-K177 PolarHBondContact OD2-NZ 3.09Å; D118-K177 VanDerWaalsContact OD2-NZ 3.12Å
119S90.4Very high91.6Very high21 Ų2176 Ų7615%0.14736%0.362CS..  trans-58141.5176.372.40000113.6E115 I116E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.13Å; I116-S119 WeakPolarHBondContact O-CB 3.29Å; I116-S119 PolarHBondContact O-N 3.21Å; I116-S119 PolarHBondContact O-OG 2.95Å
120R89.6Confident91.6Very high157 Ų15776 Ų7659%0.59236%0.363SS*.  trans-138.466.7177-63.1-64.4-177.8-81-4.3110.2T117 D118T117-R120 PolarHBondContact O-NH1 3.04Å; D118-R120 PolarHBondContact O-NH1 2.96Å
121P88.3Confident91.7Very high18 Ų1874.7 Ų74.712%0.11735%0.351CS..  trans-68.8136.6-175.331.1-36.2000110.9E126 M127 V130 I173P121-E126 WeakPolarHBondContact CA-OE2 3.39Å; P121-E126 HydrophobicContact CB-CB 3.49Å; P121-E126 VanDerWaalsContact CB-CB 3.49Å; P121-M127 HydrophobicContact CB-CG 3.91Å; P121-M127 HydrophobicContact CG-CG 3.94Å; P121-V130 HydrophobicContact CB-CG2 4.39Å; P121-V130 HydrophobicContact CG-CG2 4.13Å; P121-I173 HydrophobicContact CG-CD1 3.34Å; P121-I173 HydrophobicContact CG-CG1 4.27Å
122R85.8Confident91.6Very high230 Ų23078.9 Ų78.987%0.86836%0.358SS*.  trans-111.7-26.9178.2-60.6-175.3-177.8-168.90.7112.2E126R122-E126 PolarHBondContact N-OE2 3.4Å
123V89.5Confident91.6Very high86 Ų8678.6 Ų78.652%0.52136%0.356SS..SBendtrans-110.3152.9-177.8-1620000110.1E125 E126 M127V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 3.36Å; V123-E126 HydrophobicContact CB-CG 4.35Å; V123-E126 PolarHBondContact N-OE2 3.38Å; V123-E126 WeakPolarHBondContact O-CB 3.43Å; V123-E126 PolarHBondContact O-N 3.26Å; V123-E126 VanDerWaalsContact O-N 3.07Å; V123-M127 PolarHBondContact O-N 3.03Å; V123-M127 VanDerWaalsContact O-N 3.09Å
124K88.2Confident91.6Very high152 Ų15278 Ų7866%0.66135%0.351SS*.Hα-helixtrans-54.4-41.5179.9-171.8-176.3176.4-167.80112.7E126 M127 E128K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.11Å; K124-M127 WeakPolarHBondContact O-CB 3.17Å; K124-M127 PolarHBondContact O-N 2.9Å; K124-M127 VanDerWaalsContact O-N 3.17Å; K124-E128 VanDerWaalsContact CE-OE1 3.31Å; K124-E128 WeakPolarHBondContact CE-OE1 3.44Å; K124-E128 IonicContact NZ-OE1 2.84Å; K124-E128 PolarHBondContact O-N 3.46Å
125E90.7Very high91.6Very high138 Ų13871.8 Ų71.865%0.64533%0.328SS*.Hα-helixtrans-62.4-38.9178.1-171.7175.4-175.500112.3V123 M127 E128 N129V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 3.36Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-E128 PolarHBondContact O-N 2.97Å; E125-N129 PolarHBondContact O-N 3.27Å; E125-N129 PolarHBondContact O-ND2 3.09Å
126E89.5Confident91.6Very high86 Ų8668.5 Ų68.540%0.40232%0.318SS..Hα-helixtrans-67.8-35.8175.3-60.1176.5162.500111.6P121 R122 V123 K124 N129 V130P121-E126 WeakPolarHBondContact CA-OE2 3.39Å; P121-E126 HydrophobicContact CB-CB 3.49Å; P121-E126 VanDerWaalsContact CB-CB 3.49Å; R122-E126 PolarHBondContact N-OE2 3.4Å; V123-E126 HydrophobicContact CB-CG 4.35Å; V123-E126 PolarHBondContact N-OE2 3.38Å; V123-E126 WeakPolarHBondContact O-CB 3.43Å; V123-E126 PolarHBondContact O-N 3.26Å; V123-E126 VanDerWaalsContact O-N 3.07Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.11Å; E126-N129 PolarHBondContact O-N 2.82Å; E126-V130 WeakPolarHBondContact O-CG2 3.41Å; E126-V130 PolarHBondContact O-N 2.8Å
127M88.9Confident91.6Very high67 Ų6769.2 Ų69.233%0.3332%0.321SS..Hα-helixtrans-64.2-42.6173.2-70.5-171.3175.100111.6P121 V123 K124 E125 N129 V130 Y131 L169P121-M127 HydrophobicContact CB-CG 3.91Å; P121-M127 HydrophobicContact CG-CG 3.94Å; V123-M127 PolarHBondContact O-N 3.03Å; V123-M127 VanDerWaalsContact O-N 3.09Å; K124-M127 WeakPolarHBondContact O-CB 3.17Å; K124-M127 PolarHBondContact O-N 2.9Å; K124-M127 VanDerWaalsContact O-N 3.17Å; E125-M127 VanDerWaalsContact C-N 3.34Å; M127-N129 VanDerWaalsContact C-N 3.31Å; M127-N129 PolarHBondContact O-N 3.33Å; M127-V130 PolarHBondContact O-N 2.99Å; M127-Y131 PolarHBondContact O-N 3.4Å; M127-L169 HydrophobicContact CB-CD2 3.98Å; M127-L169 WeakPolarHBondContact O-CD2 3.34Å
128E90.6Very high91.7Very high66 Ų6669.2 Ų69.231%0.30832%0.321SS..Hα-helixtrans-62.6-39.1175.3-71.5177.8-165.500111.7K124 E125 Y131 R132K124-E128 VanDerWaalsContact CE-OE1 3.31Å; K124-E128 WeakPolarHBondContact CE-OE1 3.44Å; K124-E128 IonicContact NZ-OE1 2.84Å; K124-E128 PolarHBondContact O-N 3.46Å; E125-E128 PolarHBondContact O-N 2.97Å; E128-Y131 PolarHBondContact O-N 2.88Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 2.94Å
129N91.9Very high91.7Very high75 Ų7565.2 Ų65.240%0.40130%0.299SS..Hα-helixtrans-64-46.5175.6-72.9-22.9000112.1E125 E126 M127 Y131 R132 T133E125-N129 PolarHBondContact O-N 3.27Å; E125-N129 PolarHBondContact O-ND2 3.09Å; E126-N129 PolarHBondContact O-N 2.82Å; M127-N129 VanDerWaalsContact C-N 3.31Å; M127-N129 PolarHBondContact O-N 3.33Å; N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 3.22Å; N129-R132 WeakPolarHBondContact O-CB 3.4Å; N129-R132 PolarHBondContact O-N 2.71Å; N129-R132 VanDerWaalsContact O-N 3.14Å; N129-T133 PolarHBondContact O-N 2.77Å; N129-T133 PolarHBondContact O-OG1 3.4Å; N129-T133 VanDerWaalsContact O-OG1 3.11Å
130V93.1Very high91.8Very high15 Ų1567.9 Ų67.99%0.09131%0.311CS..Hα-helixtrans-58.9-41.7175.4174.20000110.8P121 E126 M127 R132 T133 I134 L169P121-V130 HydrophobicContact CB-CG2 4.39Å; P121-V130 HydrophobicContact CG-CG2 4.13Å; E126-V130 WeakPolarHBondContact O-CG2 3.41Å; E126-V130 PolarHBondContact O-N 2.8Å; M127-V130 PolarHBondContact O-N 2.99Å; V130-R132 PolarHBondContact O-N 3.4Å; V130-T133 PolarHBondContact O-N 3.38Å; V130-I134 HydrophobicContact CG1-CD1 4.18Å; V130-I134 WeakPolarHBondContact O-CG1 3.1Å; V130-I134 PolarHBondContact O-N 2.97Å; V130-L169 HydrophobicContact CG1-CD1 4.21Å
131Y94.6Very high91.9Very high7 Ų762 Ų623%0.02729%0.294CS..Hα-helixtrans-62.6-41.4177.2-163.7-88.6000112.1M127 E128 N129 I134 V135 T157 L160 Q161 F164 Q166 L169M127-Y131 PolarHBondContact O-N 3.4Å; E128-Y131 PolarHBondContact O-N 2.88Å; N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 3.22Å; Y131-I134 WeakPolarHBondContact O-CB 3.27Å; Y131-I134 PolarHBondContact O-N 3.32Å; Y131-V135 HydrophobicContact CD1-CG2 4.21Å; Y131-V135 HydrophobicContact CE1-CG2 4.05Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.4Å; Y131-T157 HydrophobicContact CE1-CG2 4.39Å; Y131-L160 HydrophobicContact CE1-CD2 4.02Å; Y131-L160 HydrophobicContact CE2-CD2 4.25Å; Y131-L160 WeakPolarHBondContact OH-CG 3.4Å; Y131-Q161 HydrophobicContact CE1-CG 4.41Å; Y131-Q161 WeakPolarHBondContact OH-CG 3.37Å; Y131-Q161 PolarHBondContact OH-N 3.31Å; Y131-F164 HydrophobicContact CD2-CE1 4.25Å; Y131-F164 AromaticContact CE2-CD1 3.83Å; Y131-F164 HydrophobicContact CE2-CD1 3.83Å; Y131-F164 AromaticContact CE2-CE1 3.98Å; Y131-F164 HydrophobicContact CE2-CE1 3.98Å; Y131-F164 PolarHBondContact OH-O 3.39Å; Y131-F164 VanDerWaalsContact OH-O 3.1Å; Y131-Q166 HydrophobicContact CD1-CG 4.42Å; Y131-Q166 HydrophobicContact CD2-CG 3.95Å; Y131-Q166 HydrophobicContact CE1-CG 4.36Å; Y131-Q166 HydrophobicContact CE2-CG 3.86Å; Y131-Q166 HydrophobicContact CG-CG 4.23Å; Y131-L169 HydrophobicContact CD2-CD2 4.44Å
132R92.9Very high92Very high157 Ų15761.4 Ų61.459%0.59229%0.291SS*.Hα-helixtrans-61.6-43173.2-70.9174.8-173.6176.25.1111.6E128 N129 V130 I134 V135 S136E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 2.94Å; N129-R132 WeakPolarHBondContact O-CB 3.4Å; N129-R132 PolarHBondContact O-N 2.71Å; N129-R132 VanDerWaalsContact O-N 3.14Å; V130-R132 PolarHBondContact O-N 3.4Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.32Å; R132-V135 WeakPolarHBondContact O-CB 3.46Å; R132-V135 PolarHBondContact O-N 3.3Å; R132-V135 VanDerWaalsContact O-N 3.15Å; R132-S136 PolarHBondContact O-N 3.28Å; R132-S136 PolarHBondContact O-OG 3.11Å
133T94.3Very high92.1Very high24 Ų2453 Ų5315%0.14728%0.275CS..Hα-helixtrans-62.4-36.5175.8-50.30000111.5V112 E115 I116 N129 V130 S136 Y137V112-T133 HydrophobicContact CG1-CG2 3.82Å; E115-T133 HydrophobicContact CG-CG2 4.37Å; E115-T133 PolarHBondContact OE1-OG1 2.85Å; I116-T133 HydrophobicContact CD1-CG2 4.06Å; I116-T133 HydrophobicContact CG1-CG2 3.6Å; N129-T133 PolarHBondContact O-N 2.77Å; N129-T133 PolarHBondContact O-OG1 3.4Å; N129-T133 VanDerWaalsContact O-OG1 3.11Å; V130-T133 PolarHBondContact O-N 3.38Å; T133-S136 PolarHBondContact O-N 3.08Å; T133-Y137 WeakPolarHBondContact O-CB 3.14Å; T133-Y137 PolarHBondContact O-N 3.47Å
134I95.5Very high92Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-62.9-44.9172.6-66.3168.3000111.1I116 V130 Y131 R132 S136 Y137 V138 L160 F164 L169 F172 L184I116-I134 HydrophobicContact CD1-CG1 4.01Å; I116-I134 HydrophobicContact CG1-CG1 4.19Å; I116-I134 HydrophobicContact CG2-CD1 4.25Å; I116-I134 HydrophobicContact CG2-CG1 3.79Å; V130-I134 HydrophobicContact CG1-CD1 4.18Å; V130-I134 WeakPolarHBondContact O-CG1 3.1Å; V130-I134 PolarHBondContact O-N 2.97Å; Y131-I134 WeakPolarHBondContact O-CB 3.27Å; Y131-I134 PolarHBondContact O-N 3.32Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.32Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.28Å; I134-Y137 WeakPolarHBondContact O-CB 3.31Å; I134-Y137 PolarHBondContact O-N 3.2Å; I134-V138 HydrophobicContact CG2-CG2 4.4Å; I134-V138 WeakPolarHBondContact O-CG2 3.44Å; I134-V138 PolarHBondContact O-N 3.36Å; I134-L160 HydrophobicContact CG2-CD2 3.84Å; I134-F164 HydrophobicContact CD1-CE1 4.21Å; I134-L169 HydrophobicContact CD1-CD1 3.81Å; I134-F172 HydrophobicContact CD1-CD1 4.46Å; I134-F172 HydrophobicContact CD1-CE1 4.16Å; I134-L184 HydrophobicContact CG1-CD2 4.13Å; I134-L184 HydrophobicContact CG2-CD2 4.01Å
135V94.8Very high91.8Very high5 Ų543.5 Ų43.53%0.0324%0.237CC..Hα-helixtrans-58.6-46175.3171.80000110.7Y131 R132 Y137 V138 L139 V153 V156 L160Y131-V135 HydrophobicContact CD1-CG2 4.21Å; Y131-V135 HydrophobicContact CE1-CG2 4.05Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.4Å; R132-V135 WeakPolarHBondContact O-CB 3.46Å; R132-V135 PolarHBondContact O-N 3.3Å; R132-V135 VanDerWaalsContact O-N 3.15Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.17Å; V135-V138 PolarHBondContact O-N 3.34Å; V135-L139 WeakPolarHBondContact O-CB 3.44Å; V135-L139 PolarHBondContact O-N 3.16Å; V135-V153 HydrophobicContact CG1-CG1 4.25Å; V135-V156 HydrophobicContact CG1-CB 4.3Å; V135-V156 HydrophobicContact CG1-CG1 3.9Å; V135-L160 HydrophobicContact CG2-CD2 3.68Å
136S93.8Very high91.4Very high47 Ų4739.3 Ų39.333%0.32922%0.223SC..Hα-helixtrans-61.4-41.3175.8-60.50000112.4R132 T133 I134 L139 L140R132-S136 PolarHBondContact O-N 3.28Å; R132-S136 PolarHBondContact O-OG 3.11Å; T133-S136 PolarHBondContact O-N 3.08Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.28Å; S136-L139 PolarHBondContact O-N 3.08Å; S136-L140 WeakPolarHBondContact O-CB 3.4Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.26Å; S136-L140 PolarHBondContact O-N 3.01Å
137Y95.1Very high91.1Very high17 Ų1738 Ų387%0.06722%0.221CC..Hα-helixtrans-61.2-48.1175.5175.2-88.2000111.9L109 V112 A113 I116 T133 I134 V135 L139 L140 S141 L184L109-Y137 HydrophobicContact CB-CE2 4.1Å; V112-Y137 HydrophobicContact CB-CD2 4.47Å; V112-Y137 HydrophobicContact CG1-CD2 4.29Å; A113-Y137 HydrophobicContact CB-CD2 4.35Å; A113-Y137 HydrophobicContact CB-CE2 3.9Å; I116-Y137 HydrophobicContact CD1-CD2 4.41Å; I116-Y137 HydrophobicContact CD1-CG 4.06Å; T133-Y137 WeakPolarHBondContact O-CB 3.14Å; T133-Y137 PolarHBondContact O-N 3.47Å; I134-Y137 WeakPolarHBondContact O-CB 3.31Å; I134-Y137 PolarHBondContact O-N 3.2Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.17Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 2.69Å; Y137-L140 PolarHBondContact O-N 3.43Å; Y137-S141 WeakPolarHBondContact O-CB 3.14Å; Y137-S141 PolarHBondContact O-N 3.15Å; Y137-L184 HydrophobicContact CD1-CB 4.19Å; Y137-L184 HydrophobicContact CD1-CD2 4.15Å; Y137-L184 HydrophobicContact CE1-CB 3.68Å; Y137-L184 HydrophobicContact CE1-CD1 4.42Å; Y137-L184 HydrophobicContact CE1-CD2 4.5Å; Y137-L184 HydrophobicContact CE1-CG 4.42Å
138V94.9Very high90.9Very high0 Ų040.6 Ų40.60%024%0.241CC..Hα-helixtrans-61.5-42.1179.11680000111I134 V135 S141 S142 V156 V191I134-V138 HydrophobicContact CG2-CG2 4.4Å; I134-V138 WeakPolarHBondContact O-CG2 3.44Å; I134-V138 PolarHBondContact O-N 3.36Å; V135-V138 PolarHBondContact O-N 3.34Å; V138-S141 PolarHBondContact O-N 3.23Å; V138-S142 VanDerWaalsContact O-CB 3.3Å; V138-S142 WeakPolarHBondContact O-CB 3.14Å; V138-S142 PolarHBondContact O-N 2.69Å; V138-S142 PolarHBondContact O-OG 2.93Å; V138-V156 HydrophobicContact CB-CG1 4.37Å; V138-V156 HydrophobicContact CG1-CG1 3.93Å; V138-V191 HydrophobicContact CG1-CB 3.77Å; V138-V191 HydrophobicContact CG1-CG1 3.64Å; V138-V191 HydrophobicContact CG1-CG2 4.27Å
139L92.7Very high90.8Very high2 Ų240.5 Ų40.51%0.0124%0.243CC..Hα-helixtrans-65.4-49.2178.8-167.9157.8000111.2V135 S136 Y137 S141 S142 G143 G145 S146 P147 V152 V153 V156V135-L139 WeakPolarHBondContact O-CB 3.44Å; V135-L139 PolarHBondContact O-N 3.16Å; S136-L139 PolarHBondContact O-N 3.08Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 2.69Å; L139-S141 VanDerWaalsContact C-N 3.31Å; L139-S141 PolarHBondContact O-N 3.08Å; L139-S142 PolarHBondContact O-N 3.24Å; L139-S142 PolarHBondContact O-OG 3.45Å; L139-S142 VanDerWaalsContact O-OG 3.09Å; L139-G143 PolarHBondContact O-N 2.78Å; L139-G145 VanDerWaalsContact CD2-O 3.23Å; L139-G145 WeakPolarHBondContact CD2-O 3.42Å; L139-S146 VanDerWaalsContact CD2-C 3.48Å; L139-P147 HydrophobicContact CD2-CB 4.05Å; L139-P147 HydrophobicContact CD2-CG 4.35Å; L139-P147 VanDerWaalsContact CD2-N 3.29Å; L139-V152 HydrophobicContact CD1-CG1 3.73Å; L139-V152 HydrophobicContact CG-CG1 4.35Å; L139-V153 HydrophobicContact CD1-CG2 3.98Å; L139-V156 HydrophobicContact CB-CG2 4.48Å; L139-V156 HydrophobicContact CD1-CG2 4.14Å; L139-V156 HydrophobicContact CG-CG2 4.37Å
140L92.1Very high90.7Very high76 Ų7643 Ų4340%0.39826%0.255SS..Hα-helixtrans-64.6-35.1177.3-70.2171.4000112.7L109 S136 Y137 P147L109-L140 HydrophobicContact CD2-CB 3.66Å; S136-L140 WeakPolarHBondContact O-CB 3.4Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.26Å; S136-L140 PolarHBondContact O-N 3.01Å; Y137-L140 PolarHBondContact O-N 3.43Å; L140-P147 HydrophobicContact CD2-CG 4.19Å
141S91.8Very high90.6Very high33 Ų3347.7 Ų47.723%0.23128%0.279CS..Hα-helixtrans-78.1-28-178.9-174.40000113.5Y137 V138 L139Y137-S141 WeakPolarHBondContact O-CB 3.14Å; Y137-S141 PolarHBondContact O-N 3.15Å; V138-S141 PolarHBondContact O-N 3.23Å; L139-S141 VanDerWaalsContact C-N 3.31Å; L139-S141 PolarHBondContact O-N 3.08Å
142S91.5Very high90.4Very high7 Ų747.5 Ų47.55%0.04928%0.279CS..Hα-helixtrans-83.7-24.1177.658.10000113V138 L139 L144 T192 Q334V138-S142 VanDerWaalsContact O-CB 3.3Å; V138-S142 WeakPolarHBondContact O-CB 3.14Å; V138-S142 PolarHBondContact O-N 2.69Å; V138-S142 PolarHBondContact O-OG 2.93Å; L139-S142 PolarHBondContact O-N 3.24Å; L139-S142 PolarHBondContact O-OG 3.45Å; L139-S142 VanDerWaalsContact O-OG 3.09Å; S142-L144 PolarHBondContact O-N 3.46Å; S142-T192 WeakPolarHBondContact CB-OG1 3.25Å; S142-Q334 PolarHBondContact O-NE2 3.03Å; S142-Q334 VanDerWaalsContact O-NE2 3.16Å
143G87.6Confident90.4Very high52 Ų5242.2 Ų42.254%0.53626%0.264SS..THydrogen-bonded Turntrans67.414.5-176.600000113.9L139 G145L139-G143 PolarHBondContact O-N 2.78Å; G143-G145 PolarHBondContact O-N 3.48Å
144L87.3Confident90.3Very high7 Ų749.2 Ų49.24%0.03729%0.288CS..SBendtrans-97.151.8-174.6-70.8-172.9000113S142 T192 R195 L196 I208 W330S142-L144 PolarHBondContact O-N 3.46Å; L144-T192 HydrophobicContact CD1-CG2 3.79Å; L144-R195 VanDerWaalsContact CB-NH1 3.27Å; L144-R195 PolarHBondContact O-NH1 2.7Å; L144-R195 PolarHBondContact O-NH2 2.89Å; L144-R195 VanDerWaalsContact O-NH2 3.16Å; L144-L196 HydrophobicContact CD1-CD2 4.4Å; L144-L196 HydrophobicContact CD1-CG 4.47Å; L144-I208 HydrophobicContact CB-CG1 4.28Å; L144-I208 HydrophobicContact CD1-CD1 4.02Å; L144-I208 HydrophobicContact CD1-CG1 4.38Å; L144-I208 HydrophobicContact CD2-CB 4.47Å; L144-I208 HydrophobicContact CD2-CG1 4.15Å; L144-I208 HydrophobicContact CD2-CG2 3.81Å; L144-W330 HydrophobicContact CD2-CZ2 4.24Å; L144-W330 VanDerWaalsContact CD2-NE1 3.27Å
145G83.8Confident90.2Very high33 Ų3350.7 Ų50.734%0.3430%0.295SS..SBendtrans123.2-177.9177.400000113.9L139 G143L139-G145 VanDerWaalsContact CD2-O 3.23Å; L139-G145 WeakPolarHBondContact CD2-O 3.42Å; G143-G145 PolarHBondContact O-N 3.48Å
146S81.8Confident90.2Very high50 Ų5050.5 Ų50.535%0.3529%0.293SS..  trans-102.6140.4-176.4-177.50000112L139 T148 D149L139-S146 VanDerWaalsContact CD2-C 3.48Å; S146-T148 PolarHBondContact O-N 3.15Å; S146-T148 VanDerWaalsContact O-N 3.15Å; S146-T148 PolarHBondContact OG-N 2.91Å; S146-T148 PolarHBondContact OG-OG1 3.42Å; S146-D149 PolarHBondContact O-N 3.08Å; S146-D149 VanDerWaalsContact O-N 3.13Å
147P83.4Confident90.2Very high58 Ų5849.9 Ų49.938%0.37729%0.288SS..THydrogen-bonded Turntrans-68-9.4173.629.2-34.9000112.9L139 L140L139-P147 HydrophobicContact CD2-CB 4.05Å; L139-P147 HydrophobicContact CD2-CG 4.35Å; L139-P147 VanDerWaalsContact CD2-N 3.29Å; L140-P147 HydrophobicContact CD2-CG 4.19Å
148T86.3Confident90.1Very high122 Ų12251.8 Ų51.875%0.74831%0.307SS*.THydrogen-bonded Turntrans-83.8-15.1174.7620000113S146S146-T148 PolarHBondContact O-N 3.15Å; S146-T148 VanDerWaalsContact O-N 3.15Å; S146-T148 PolarHBondContact OG-N 2.91Å; S146-T148 PolarHBondContact OG-OG1 3.42Å
149D88.4Confident90.1Very high64 Ų6452 Ų5234%0.34231%0.309SS..  trans-89113.9-179.8-173.6-23.5000110.1S146 D151 V152 V153S146-D149 PolarHBondContact O-N 3.08Å; S146-D149 VanDerWaalsContact O-N 3.13Å; D149-D151 VanDerWaalsContact C-N 3.31Å; D149-D151 PolarHBondContact O-N 3Å; D149-D151 PolarHBondContact OD1-N 3.11Å; D149-V152 HydrophobicContact CB-CB 4.02Å; D149-V152 HydrophobicContact CB-CG2 3.84Å; D149-V152 PolarHBondContact O-N 3.34Å; D149-V152 PolarHBondContact OD1-N 3.36Å; D149-V152 WeakPolarHBondContact OD2-CG2 3.48Å; D149-V153 VanDerWaalsContact O-CG2 3.29Å; D149-V153 WeakPolarHBondContact O-CG2 3.16Å; D149-V153 PolarHBondContact O-N 2.88Å
150I89.9Confident90.2Very high128 Ų12851.9 Ų51.966%0.65631%0.308SS*.Hα-helixtrans-64.1-37.7-175.3-62172.3000111.1V153 R154I150-V153 PolarHBondContact O-N 2.89Å; I150-R154 HydrophobicContact CG2-CG 4.43Å; I150-R154 WeakPolarHBondContact O-CB 3.41Å; I150-R154 VanDerWaalsContact O-CG 3.26Å; I150-R154 WeakPolarHBondContact O-CG 3.27Å; I150-R154 PolarHBondContact O-N 2.65Å
151D89.7Confident90.3Very high112 Ų11252.3 Ų52.360%0.59931%0.308SS*.Hα-helixtrans-70.7-39-177.3-70.6-33.8000110.7D149 R154 E155D149-D151 VanDerWaalsContact C-N 3.31Å; D149-D151 PolarHBondContact O-N 3Å; D149-D151 PolarHBondContact OD1-N 3.11Å; D151-R154 PolarHBondContact O-N 2.77Å; D151-E155 PolarHBondContact O-N 3.23Å
152V91.2Very high90.2Very high4 Ų454.5 Ų54.52%0.02432%0.324CS..Hα-helixtrans-63.5-45.4172.5178.60000111.1L139 D149 R154 E155 V156 S207L139-V152 HydrophobicContact CD1-CG1 3.73Å; L139-V152 HydrophobicContact CG-CG1 4.35Å; D149-V152 HydrophobicContact CB-CB 4.02Å; D149-V152 HydrophobicContact CB-CG2 3.84Å; D149-V152 PolarHBondContact O-N 3.34Å; D149-V152 PolarHBondContact OD1-N 3.36Å; D149-V152 WeakPolarHBondContact OD2-CG2 3.48Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 2.94Å; V152-E155 PolarHBondContact O-N 3.02Å; V152-V156 HydrophobicContact CG1-CG2 4.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.48Å; V152-V156 PolarHBondContact O-N 2.85Å; V152-S207 VanDerWaalsContact CG2-CB 3.5Å; V152-S207 VanDerWaalsContact CG2-OG 3.29Å; V152-S207 WeakPolarHBondContact CG2-OG 3.39Å
153V92.6Very high90.3Very high46 Ų4655 Ų5528%0.27933%0.327SS..Hα-helixtrans-60.9-40.5177.9170.50000111V135 L139 D149 I150 T157V135-V153 HydrophobicContact CG1-CG1 4.25Å; L139-V153 HydrophobicContact CD1-CG2 3.98Å; D149-V153 VanDerWaalsContact O-CG2 3.29Å; D149-V153 WeakPolarHBondContact O-CG2 3.16Å; D149-V153 PolarHBondContact O-N 2.88Å; I150-V153 PolarHBondContact O-N 2.89Å; V153-T157 VanDerWaalsContact O-CB 3.26Å; V153-T157 WeakPolarHBondContact O-CB 3.46Å; V153-T157 PolarHBondContact O-N 3.12Å; V153-T157 PolarHBondContact O-OG1 3.13Å
154R92.1Very high90.5Very high171 Ų17152.6 Ų52.665%0.64530%0.301SS*.Hα-helixtrans-64.6-42.6175.9-73.417571.6-164.32.7111.9I150 D151 V152 T157 A158I150-R154 HydrophobicContact CG2-CG 4.43Å; I150-R154 WeakPolarHBondContact O-CB 3.41Å; I150-R154 VanDerWaalsContact O-CG 3.26Å; I150-R154 WeakPolarHBondContact O-CG 3.27Å; I150-R154 PolarHBondContact O-N 2.65Å; D151-R154 PolarHBondContact O-N 2.77Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 2.94Å; R154-T157 PolarHBondContact O-N 2.85Å; R154-A158 WeakPolarHBondContact O-CB 3.48Å; R154-A158 PolarHBondContact O-N 3.49Å
155E93Very high90.8Very high31 Ų3154.5 Ų54.515%0.14531%0.314CS..Hα-helixtrans-62.9-49.4176.9-173.3-173.2-158.900111.8D151 V152 T157 A158 A159 R195 G204 G205D151-E155 PolarHBondContact O-N 3.23Å; V152-E155 PolarHBondContact O-N 3.02Å; E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 3.35Å; E155-A158 PolarHBondContact O-N 3.47Å; E155-A159 WeakPolarHBondContact O-CB 3.49Å; E155-A159 PolarHBondContact O-N 2.98Å; E155-R195 HydrophobicContact CG-CG 4.32Å; E155-R195 IonicContact OE1-NE 3.11Å; E155-R195 IonicContact OE2-CZ 2.71Å; E155-R195 IonicContact OE2-NE 2.7Å; E155-R195 PolarHBondContact OE2-NE 2.96Å; E155-R195 IonicContact OE2-NH2 2.71Å; E155-R195 PolarHBondContact OE2-NH2 3.32Å; E155-G204 WeakPolarHBondContact OE1-CA 3.37Å; E155-G205 PolarHBondContact OE1-N 3.37Å
156V94.6Very high91Very high0 Ų057.6 Ų57.60%032%0.32CS..Hα-helixtrans-60.5-40.8176.41760000110.5V135 V138 L139 V152 A159 L160 V191V135-V156 HydrophobicContact CG1-CB 4.3Å; V135-V156 HydrophobicContact CG1-CG1 3.9Å; V138-V156 HydrophobicContact CB-CG1 4.37Å; V138-V156 HydrophobicContact CG1-CG1 3.93Å; L139-V156 HydrophobicContact CB-CG2 4.48Å; L139-V156 HydrophobicContact CD1-CG2 4.14Å; L139-V156 HydrophobicContact CG-CG2 4.37Å; V152-V156 HydrophobicContact CG1-CG2 4.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.48Å; V152-V156 PolarHBondContact O-N 2.85Å; V156-A159 PolarHBondContact O-N 3.08Å; V156-L160 VanDerWaalsContact O-CB 3.27Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 PolarHBondContact O-N 3.23Å; V156-V191 HydrophobicContact CG1-CG1 4.05Å
157T94.3Very high91.4Very high34 Ų3460.9 Ų60.921%0.20934%0.338CS..Hα-helixtrans-62.6-45.1177.6-59.70000111.4Y131 V153 R154 E155 L160 Q161Y131-T157 HydrophobicContact CE1-CG2 4.39Å; V153-T157 VanDerWaalsContact O-CB 3.26Å; V153-T157 WeakPolarHBondContact O-CB 3.46Å; V153-T157 PolarHBondContact O-N 3.12Å; V153-T157 PolarHBondContact O-OG1 3.13Å; R154-T157 PolarHBondContact O-N 2.85Å; E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 3.35Å; T157-L160 PolarHBondContact O-N 3.12Å; T157-Q161 HydrophobicContact CG2-CG 4.43Å; T157-Q161 WeakPolarHBondContact O-CB 3.18Å; T157-Q161 VanDerWaalsContact O-CG 3.26Å; T157-Q161 WeakPolarHBondContact O-CG 3.38Å; T157-Q161 PolarHBondContact O-N 3.31Å
158A93.6Very high91.7Very high58 Ų5862.3 Ų62.348%0.47934%0.339SS..Hα-helixtrans-65.2-42.6178.300000112R154 E155 Q161 S162R154-A158 WeakPolarHBondContact O-CB 3.48Å; R154-A158 PolarHBondContact O-N 3.49Å; E155-A158 PolarHBondContact O-N 3.47Å; A158-Q161 PolarHBondContact O-N 3.13Å; A158-S162 PolarHBondContact O-N 3.21Å
159A93.8Very high91.9Very high3 Ų356.7 Ų56.73%0.02530%0.304CS..Hα-helixtrans-66.3-35.6175.400000112.4E155 V156 S162 V191 I194 R195E155-A159 WeakPolarHBondContact O-CB 3.49Å; E155-A159 PolarHBondContact O-N 2.98Å; V156-A159 PolarHBondContact O-N 3.08Å; A159-S162 PolarHBondContact O-OG 3.49Å; A159-V191 HydrophobicContact CB-CG1 3.89Å; A159-I194 HydrophobicContact CB-CB 4.31Å; A159-I194 HydrophobicContact CB-CG2 3.78Å; A159-R195 HydrophobicContact CB-CG 4.1Å
160L95.3Very high92Very high0 Ų056.4 Ų56.40%031%0.311CS..Hα-helixtrans-69.2-43.7174.2-17665.4000111Y131 I134 V135 V156 T157 S162 V163 F164 L187 V191Y131-L160 HydrophobicContact CE1-CD2 4.02Å; Y131-L160 HydrophobicContact CE2-CD2 4.25Å; Y131-L160 WeakPolarHBondContact OH-CG 3.4Å; I134-L160 HydrophobicContact CG2-CD2 3.84Å; V135-L160 HydrophobicContact CG2-CD2 3.68Å; V156-L160 VanDerWaalsContact O-CB 3.27Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 PolarHBondContact O-N 3.23Å; T157-L160 PolarHBondContact O-N 3.12Å; L160-S162 PolarHBondContact O-N 3.4Å; L160-V163 WeakPolarHBondContact O-CG2 3.23Å; L160-V163 PolarHBondContact O-N 2.85Å; L160-V163 VanDerWaalsContact O-N 3.15Å; L160-F164 HydrophobicContact CD1-CB 4.05Å; L160-F164 HydrophobicContact CD1-CD1 4.28Å; L160-F164 HydrophobicContact CG-CB 4.44Å; L160-F164 HydrophobicContact CG-CD1 4.39Å; L160-F164 CarbonylContact O-C 3.5Å; L160-F164 WeakPolarHBondContact O-CA 3.42Å; L160-F164 PolarHBondContact O-N 3.3Å; L160-L187 HydrophobicContact CD1-CB 4.19Å; L160-L187 HydrophobicContact CD1-CD1 4.29Å; L160-L187 HydrophobicContact CD1-CD2 4.2Å; L160-L187 HydrophobicContact CD1-CG 4.46Å; L160-V191 HydrophobicContact CB-CG2 3.99Å; L160-V191 HydrophobicContact CD1-CG2 3.84Å
161Q94.1Very high92Very high85 Ų8554.7 Ų54.740%0.39731%0.307SS..Hα-helixtrans-62.6-25.8179.3-77.3178-17.800113.4Y131 T157 A158 V163Y131-Q161 HydrophobicContact CE1-CG 4.41Å; Y131-Q161 WeakPolarHBondContact OH-CG 3.37Å; Y131-Q161 PolarHBondContact OH-N 3.31Å; T157-Q161 HydrophobicContact CG2-CG 4.43Å; T157-Q161 WeakPolarHBondContact O-CB 3.18Å; T157-Q161 VanDerWaalsContact O-CG 3.26Å; T157-Q161 WeakPolarHBondContact O-CG 3.38Å; T157-Q161 PolarHBondContact O-N 3.31Å; A158-Q161 PolarHBondContact O-N 3.13Å; Q161-V163 VanDerWaalsContact C-N 3.34Å
162S90.9Very high92.2Very high80 Ų8049.5 Ų49.556%0.55928%0.279SS*.Hα-helixtrans-73.9-23.7177.672.90000113.6A158 A159 L160A158-S162 PolarHBondContact O-N 3.21Å; A159-S162 PolarHBondContact O-OG 3.49Å; L160-S162 PolarHBondContact O-N 3.4Å
163V91.9Very high92.3Very high18 Ų1850.5 Ų50.511%0.10928%0.284CS..Hα-helixtrans-114-19179.7-62.40000114L160 Q161 L187 L190 V191 I194 F320L160-V163 WeakPolarHBondContact O-CG2 3.23Å; L160-V163 PolarHBondContact O-N 2.85Å; L160-V163 VanDerWaalsContact O-N 3.15Å; Q161-V163 VanDerWaalsContact C-N 3.34Å; V163-L187 HydrophobicContact CG2-CD2 4.21Å; V163-L190 HydrophobicContact CB-CD1 4.44Å; V163-L190 HydrophobicContact CG2-CB 4.38Å; V163-V191 HydrophobicContact CG2-CG2 4.26Å; V163-I194 HydrophobicContact CG1-CD1 3.4Å; V163-I194 VanDerWaalsContact CG1-CD1 3.4Å; V163-F320 HydrophobicContact CB-CZ 4.09Å; V163-F320 HydrophobicContact CG1-CE1 3.79Å; V163-F320 HydrophobicContact CG1-CZ 3.76Å
164F93.6Very high92.2Very high1 Ų152.8 Ų52.80%0.00430%0.302CS..SBendtrans-146.280.7-178.3-177.6-113.5000110Y131 I134 L160 E168 L169 F172 L187Y131-F164 HydrophobicContact CD2-CE1 4.25Å; Y131-F164 AromaticContact CE2-CD1 3.83Å; Y131-F164 HydrophobicContact CE2-CD1 3.83Å; Y131-F164 AromaticContact CE2-CE1 3.98Å; Y131-F164 HydrophobicContact CE2-CE1 3.98Å; Y131-F164 PolarHBondContact OH-O 3.39Å; Y131-F164 VanDerWaalsContact OH-O 3.1Å; I134-F164 HydrophobicContact CD1-CE1 4.21Å; L160-F164 HydrophobicContact CD1-CB 4.05Å; L160-F164 HydrophobicContact CD1-CD1 4.28Å; L160-F164 HydrophobicContact CG-CB 4.44Å; L160-F164 HydrophobicContact CG-CD1 4.39Å; L160-F164 CarbonylContact O-C 3.5Å; L160-F164 WeakPolarHBondContact O-CA 3.42Å; L160-F164 PolarHBondContact O-N 3.3Å; F164-E168 HydrophobicContact CD2-CB 3.85Å; F164-E168 HydrophobicContact CE2-CB 3.68Å; F164-L169 HydrophobicContact CE1-CD1 4.17Å; F164-L169 HydrophobicContact CZ-CB 4.4Å; F164-L169 HydrophobicContact CZ-CD1 4.07Å; F164-F172 HydrophobicContact CE2-CB 3.98Å; F164-F172 HydrophobicContact CZ-CB 3.71Å; F164-F172 HydrophobicContact CZ-CD2 4.35Å; F164-F172 HydrophobicContact CZ-CG 4.06Å; F164-L187 HydrophobicContact CB-CD1 4.37Å; F164-L187 HydrophobicContact CB-CD2 3.6Å; F164-L187 HydrophobicContact CD1-CD1 4.07Å; F164-L187 HydrophobicContact CD2-CD1 4.39Å; F164-L187 HydrophobicContact CD2-CD2 4.49Å; F164-L187 HydrophobicContact CE1-CD1 4.45Å; F164-L187 HydrophobicContact CG-CD1 4.02Å; F164-L187 HydrophobicContact CG-CD2 4.08Å
165P92.1Very high92.3Very high47 Ų4747.4 Ų47.431%0.30529%0.286SS..  trans-62.1153.7176.3-20.832.8000111.8T167 E168P165-T167 PolarHBondContact O-N 3.07Å; P165-E168 PolarHBondContact O-N 2.86Å
166Q89.1Confident92.4Very high98 Ų9848.7 Ų48.746%0.45830%0.298SS..G310 helixtrans-57.4-24.1178.8-70.2-177.7-10.700113.6Y131 E168 L169Y131-Q166 HydrophobicContact CD1-CG 4.42Å; Y131-Q166 HydrophobicContact CD2-CG 3.95Å; Y131-Q166 HydrophobicContact CE1-CG 4.36Å; Y131-Q166 HydrophobicContact CE2-CG 3.86Å; Y131-Q166 HydrophobicContact CG-CG 4.23Å; Q166-E168 VanDerWaalsContact C-N 3.26Å; Q166-E168 PolarHBondContact O-N 3.07Å; Q166-L169 VanDerWaalsContact O-CB 3.23Å; Q166-L169 WeakPolarHBondContact O-CB 3.45Å; Q166-L169 PolarHBondContact O-N 3.08Å
167T89Confident92.4Very high119 Ų11952.8 Ų52.873%0.7332%0.316SS*.G310 helixtrans-64.5-28.217550.60000113.1P165 L169P165-T167 PolarHBondContact O-N 3.07Å; T167-L169 VanDerWaalsContact C-N 3.29Å
168E90.1Very high92.4Very high87 Ų8759 Ų5941%0.40734%0.34SS..G310 helixtrans-81.9-8.8179.3-63.4-169.3-175.800113.2F164 P165 Q166 A170 T171 F172F164-E168 HydrophobicContact CD2-CB 3.85Å; F164-E168 HydrophobicContact CE2-CB 3.68Å; P165-E168 PolarHBondContact O-N 2.86Å; Q166-E168 VanDerWaalsContact C-N 3.26Å; Q166-E168 PolarHBondContact O-N 3.07Å; E168-A170 VanDerWaalsContact C-N 3.26Å; E168-A170 PolarHBondContact O-N 2.82Å; E168-T171 WeakPolarHBondContact O-CB 3.41Å; E168-T171 PolarHBondContact O-N 3.01Å; E168-T171 VanDerWaalsContact O-N 3.11Å; E168-F172 PolarHBondContact O-N 3.01Å
169L91.1Very high92.4Very high4 Ų460.1 Ų60.12%0.02134%0.338CS..Hα-helixtrans-61-35.7-179.5-173.662.4000112.3M127 V130 Y131 I134 F164 Q166 T167 T171 F172 I173M127-L169 HydrophobicContact CB-CD2 3.98Å; M127-L169 WeakPolarHBondContact O-CD2 3.34Å; V130-L169 HydrophobicContact CG1-CD1 4.21Å; Y131-L169 HydrophobicContact CD2-CD2 4.44Å; I134-L169 HydrophobicContact CD1-CD1 3.81Å; F164-L169 HydrophobicContact CE1-CD1 4.17Å; F164-L169 HydrophobicContact CZ-CB 4.4Å; F164-L169 HydrophobicContact CZ-CD1 4.07Å; Q166-L169 VanDerWaalsContact O-CB 3.23Å; Q166-L169 WeakPolarHBondContact O-CB 3.45Å; Q166-L169 PolarHBondContact O-N 3.08Å; T167-L169 VanDerWaalsContact C-N 3.29Å; L169-T171 VanDerWaalsContact C-N 3.34Å; L169-T171 PolarHBondContact O-N 3.5Å; L169-F172 HydrophobicContact CD1-CD1 4.14Å; L169-F172 WeakPolarHBondContact O-CB 3.29Å; L169-F172 PolarHBondContact O-N 3.33Å; L169-I173 HydrophobicContact CG-CD1 3.97Å; L169-I173 HydrophobicContact CG-CG1 4.49Å; L169-I173 WeakPolarHBondContact O-CD1 3.4Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.28Å
170A89.3Confident92.5Very high58 Ų5860 Ų6048%0.47934%0.337SS..Hα-helixtrans-61.4-42.9175.900000111.8E168 I173 S174E168-A170 VanDerWaalsContact C-N 3.26Å; E168-A170 PolarHBondContact O-N 2.82Å; A170-I173 PolarHBondContact O-N 3.4Å; A170-S174 PolarHBondContact O-N 2.77Å
171T91.6Very high92.4Very high93 Ų9363.5 Ų63.557%0.57135%0.353SS*.Hα-helixtrans-64.9-45.6175.7-50.40000110.6E168 L169 I173 S174E168-T171 WeakPolarHBondContact O-CB 3.41Å; E168-T171 PolarHBondContact O-N 3.01Å; E168-T171 VanDerWaalsContact O-N 3.11Å; L169-T171 VanDerWaalsContact C-N 3.34Å; L169-T171 PolarHBondContact O-N 3.5Å; T171-I173 VanDerWaalsContact C-N 3.32Å; T171-I173 PolarHBondContact O-N 2.9Å; T171-S174 WeakPolarHBondContact O-CB 3.49Å; T171-S174 PolarHBondContact O-N 3.21Å; T171-S174 VanDerWaalsContact O-N 3.12Å; T171-S174 PolarHBondContact O-OG 3.4Å
172F93.4Very high92.5Very high2 Ų264.3 Ų64.31%0.00936%0.357CS..Hα-helixtrans-55.1-45.1175.5173.5-91.1000112.3I116 I134 F164 E168 L169 S174 L175 K180 Q183 L184I116-F172 HydrophobicContact CG2-CE1 3.69Å; I116-F172 HydrophobicContact CG2-CZ 3.8Å; I134-F172 HydrophobicContact CD1-CD1 4.46Å; I134-F172 HydrophobicContact CD1-CE1 4.16Å; F164-F172 HydrophobicContact CE2-CB 3.98Å; F164-F172 HydrophobicContact CZ-CB 3.71Å; F164-F172 HydrophobicContact CZ-CD2 4.35Å; F164-F172 HydrophobicContact CZ-CG 4.06Å; E168-F172 PolarHBondContact O-N 3.01Å; L169-F172 HydrophobicContact CD1-CD1 4.14Å; L169-F172 WeakPolarHBondContact O-CB 3.29Å; L169-F172 PolarHBondContact O-N 3.33Å; F172-S174 PolarHBondContact O-N 3.38Å; F172-L175 WeakPolarHBondContact O-CB 3.41Å; F172-L175 PolarHBondContact O-N 2.71Å; F172-L175 VanDerWaalsContact O-N 3.17Å; F172-K180 HydrophobicContact CE1-CD 4.17Å; F172-K180 HydrophobicContact CE1-CG 4.17Å; F172-K180 HydrophobicContact CE2-CB 4.09Å; F172-K180 HydrophobicContact CE2-CG 4.17Å; F172-K180 HydrophobicContact CZ-CB 3.84Å; F172-K180 HydrophobicContact CZ-CD 4.32Å; F172-K180 HydrophobicContact CZ-CG 3.92Å; F172-K180 WeakPolarHBondContact O-CE 3.45Å; F172-Q183 HydrophobicContact CD2-CB 4.4Å; F172-Q183 HydrophobicContact CD2-CG 4.17Å; F172-Q183 VanDerWaalsContact CD2-OE1 3.26Å; F172-Q183 HydrophobicContact CE2-CB 4.19Å; F172-Q183 HydrophobicContact CE2-CG 4.31Å; F172-L184 HydrophobicContact CE2-CD2 4.35Å; F172-L184 HydrophobicContact CE2-CG 4.25Å; F172-L184 HydrophobicContact CZ-CD2 4.08Å; F172-L184 HydrophobicContact CZ-CG 4.04Å
173I92.3Very high92.7Very high26 Ų2663.1 Ų63.113%0.13334%0.342CS..Hα-helixtrans-62.7-31.3-179-68.4157.4000112P121 L169 A170 T171 L175 K180P121-I173 HydrophobicContact CG-CD1 3.34Å; P121-I173 HydrophobicContact CG-CG1 4.27Å; L169-I173 HydrophobicContact CG-CD1 3.97Å; L169-I173 HydrophobicContact CG-CG1 4.49Å; L169-I173 WeakPolarHBondContact O-CD1 3.4Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.28Å; A170-I173 PolarHBondContact O-N 3.4Å; T171-I173 VanDerWaalsContact C-N 3.32Å; T171-I173 PolarHBondContact O-N 2.9Å; I173-L175 VanDerWaalsContact C-N 3.27Å; I173-L175 PolarHBondContact O-N 3.15Å; I173-K180 WeakPolarHBondContact O-CE 3.09Å; I173-K180 PolarHBondContact O-NZ 2.79Å
174S91.9Very high92.8Very high94 Ų9462.2 Ų62.266%0.65734%0.337SS*.Hα-helixtrans-73.8-14.9179.9770000114.3A170 T171 F172A170-S174 PolarHBondContact O-N 2.77Å; T171-S174 WeakPolarHBondContact O-CB 3.49Å; T171-S174 PolarHBondContact O-N 3.21Å; T171-S174 VanDerWaalsContact O-N 3.12Å; T171-S174 PolarHBondContact O-OG 3.4Å; F172-S174 PolarHBondContact O-N 3.38Å
175L94.3Very high92.9Very high58 Ų5866.6 Ų66.630%0.30436%0.356SS..SBendtrans-69.8160.5-178.5-63.8178.7000113.1F172 I173 D179 K180F172-L175 WeakPolarHBondContact O-CB 3.41Å; F172-L175 PolarHBondContact O-N 2.71Å; F172-L175 VanDerWaalsContact O-N 3.17Å; I173-L175 VanDerWaalsContact C-N 3.27Å; I173-L175 PolarHBondContact O-N 3.15Å; L175-D179 HydrophobicContact CB-CB 4.12Å; L175-D179 HydrophobicContact CD1-CB 4.42Å; L175-K180 HydrophobicContact CB-CG 3.88Å; L175-K180 VanDerWaalsContact O-CE 3.26Å; L175-K180 WeakPolarHBondContact O-CE 3.28Å
176S94.8Very high93Very high57 Ų5766.8 Ų66.840%0.39936%0.357SS..  trans-65.2157.6171.1850000110.8K178 D179 K180S176-K178 VanDerWaalsContact C-N 3.25Å; S176-K178 PolarHBondContact O-N 2.92Å; S176-D179 WeakPolarHBondContact CB-OD2 3.4Å; S176-D179 PolarHBondContact O-N 2.63Å; S176-D179 VanDerWaalsContact O-N 3.12Å; S176-D179 PolarHBondContact OG-N 3.17Å; S176-D179 PolarHBondContact OG-OD2 3.17Å; S176-K180 WeakPolarHBondContact O-CG 3.31Å; S176-K180 PolarHBondContact O-N 3.23Å
177K93.4Very high93.3Very high87 Ų8762.5 Ų62.538%0.37834%0.337SS..Hα-helixtrans-54.5-42.9177.6-179.2163.3-169.2150.70112.3T117 D118 K180 E181T117-K177 HydrophobicContact CG2-CG 4.4Å; D118-K177 IonicContact OD1-NZ 3.52Å; D118-K177 PolarHBondContact OD1-NZ 3.27Å; D118-K177 IonicContact OD2-NZ 2.56Å; D118-K177 PolarHBondContact OD2-NZ 3.09Å; D118-K177 VanDerWaalsContact OD2-NZ 3.12Å; K177-K180 PolarHBondContact O-N 3.41Å; K177-E181 WeakPolarHBondContact O-CG 3.45Å; K177-E181 PolarHBondContact O-N 2.86Å
178K93.9Very high93.7Very high164 Ų16457.2 Ų57.271%0.71330%0.304SS*.Hα-helixtrans-63.9-42.3178.7-174.8-177.2176.4-173.90111.8S176 E181 Q182S176-K178 VanDerWaalsContact C-N 3.25Å; S176-K178 PolarHBondContact O-N 2.92Å; K178-E181 PolarHBondContact O-N 3.14Å; K178-Q182 PolarHBondContact O-N 3.36Å
179D95.1Very high94Very high81 Ų8155.4 Ų55.443%0.43330%0.296SS..Hα-helixtrans-71.7-36.6-179.1-59.1-36.6000111.4L175 S176 Q182 Q183L175-D179 HydrophobicContact CB-CB 4.12Å; L175-D179 HydrophobicContact CD1-CB 4.42Å; S176-D179 WeakPolarHBondContact CB-OD2 3.4Å; S176-D179 PolarHBondContact O-N 2.63Å; S176-D179 VanDerWaalsContact O-N 3.12Å; S176-D179 PolarHBondContact OG-N 3.17Å; S176-D179 PolarHBondContact OG-OD2 3.17Å; D179-Q182 PolarHBondContact O-N 3.41Å; D179-Q183 WeakPolarHBondContact O-CB 3.44Å; D179-Q183 PolarHBondContact O-N 2.83Å
180K95.1Very high94.3Very high1 Ų155.6 Ų55.60%0.00430%0.297CS..Hα-helixtrans-59.3-47.5170.7-71.2-178.6-176.3-1800111.6T117 F172 I173 L175 S176 K177 Q182 Q183 L184T117-K180 HydrophobicContact CG2-CB 3.84Å; T117-K180 HydrophobicContact CG2-CD 4.45Å; T117-K180 PolarHBondContact O-NZ 3.19Å; F172-K180 HydrophobicContact CE1-CD 4.17Å; F172-K180 HydrophobicContact CE1-CG 4.17Å; F172-K180 HydrophobicContact CE2-CB 4.09Å; F172-K180 HydrophobicContact CE2-CG 4.17Å; F172-K180 HydrophobicContact CZ-CB 3.84Å; F172-K180 HydrophobicContact CZ-CD 4.32Å; F172-K180 HydrophobicContact CZ-CG 3.92Å; F172-K180 WeakPolarHBondContact O-CE 3.45Å; I173-K180 WeakPolarHBondContact O-CE 3.09Å; I173-K180 PolarHBondContact O-NZ 2.79Å; L175-K180 HydrophobicContact CB-CG 3.88Å; L175-K180 VanDerWaalsContact O-CE 3.26Å; L175-K180 WeakPolarHBondContact O-CE 3.28Å; S176-K180 WeakPolarHBondContact O-CG 3.31Å; S176-K180 PolarHBondContact O-N 3.23Å; K177-K180 PolarHBondContact O-N 3.41Å; K180-Q182 VanDerWaalsContact C-N 3.31Å; K180-Q182 PolarHBondContact O-N 2.94Å; K180-Q183 PolarHBondContact O-N 3.43Å; K180-L184 WeakPolarHBondContact O-CB 3.4Å; K180-L184 VanDerWaalsContact O-CG 3.29Å; K180-L184 WeakPolarHBondContact O-CG 3.5Å; K180-L184 PolarHBondContact O-N 3Å
181E94.2Very high94.6Very high74 Ų7452.9 Ų52.935%0.34628%0.275SS..Hα-helixtrans-60.7-40.4176.8-72.8177.4-174.200112T117 K177 K178 K185T117-E181 HydrophobicContact CG2-CG 3.85Å; K177-E181 WeakPolarHBondContact O-CG 3.45Å; K177-E181 PolarHBondContact O-N 2.86Å; K178-E181 PolarHBondContact O-N 3.14Å; E181-K185 WeakPolarHBondContact O-CG 3.25Å; E181-K185 PolarHBondContact O-N 3.45Å
182Q94.4Very high94.8Very high102 Ų10248.6 Ų48.648%0.47725%0.249SC..Hα-helixtrans-67.5-43.9176.9-173.259.630.200111.6K178 D179 K180 L184 K185 T186K178-Q182 PolarHBondContact O-N 3.36Å; D179-Q182 PolarHBondContact O-N 3.41Å; K180-Q182 VanDerWaalsContact C-N 3.31Å; K180-Q182 PolarHBondContact O-N 2.94Å; Q182-L184 VanDerWaalsContact C-N 3.33Å; Q182-L184 PolarHBondContact O-N 3.34Å; Q182-K185 WeakPolarHBondContact O-CB 3.01Å; Q182-K185 PolarHBondContact O-N 3.46Å; Q182-T186 PolarHBondContact O-N 3.49Å; Q182-T186 PolarHBondContact O-OG1 3.2Å
183Q95.2Very high94.9Very high54 Ų5448.5 Ų48.525%0.25225%0.248SC..Hα-helixtrans-63.9-39.1177.6-173168.88.700111.4F172 D179 K180 K185 T186 L187F172-Q183 HydrophobicContact CD2-CB 4.4Å; F172-Q183 HydrophobicContact CD2-CG 4.17Å; F172-Q183 VanDerWaalsContact CD2-OE1 3.26Å; F172-Q183 HydrophobicContact CE2-CB 4.19Å; F172-Q183 HydrophobicContact CE2-CG 4.31Å; D179-Q183 WeakPolarHBondContact O-CB 3.44Å; D179-Q183 PolarHBondContact O-N 2.83Å; K180-Q183 PolarHBondContact O-N 3.43Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 2.9Å; Q183-T186 PolarHBondContact O-N 3.22Å; Q183-L187 HydrophobicContact CG-CD1 4.14Å; Q183-L187 HydrophobicContact CG-CG 4.23Å; Q183-L187 WeakPolarHBondContact O-CB 2.99Å; Q183-L187 VanDerWaalsContact O-CG 3.27Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 3.33Å
184L95.8Very high95Very high0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-57.9-42.5174.1-76.1176.1000112.1I116 I134 Y137 F172 K180 Q182 L187 T188I116-L184 HydrophobicContact CB-CD1 4.33Å; I116-L184 HydrophobicContact CD1-CD1 4.13Å; I116-L184 HydrophobicContact CD1-CD2 4.25Å; I116-L184 HydrophobicContact CG2-CD1 4.05Å; I116-L184 HydrophobicContact CG2-CD2 4.29Å; I134-L184 HydrophobicContact CG1-CD2 4.13Å; I134-L184 HydrophobicContact CG2-CD2 4.01Å; Y137-L184 HydrophobicContact CD1-CB 4.19Å; Y137-L184 HydrophobicContact CD1-CD2 4.15Å; Y137-L184 HydrophobicContact CE1-CB 3.68Å; Y137-L184 HydrophobicContact CE1-CD1 4.42Å; Y137-L184 HydrophobicContact CE1-CD2 4.5Å; Y137-L184 HydrophobicContact CE1-CG 4.42Å; F172-L184 HydrophobicContact CE2-CD2 4.35Å; F172-L184 HydrophobicContact CE2-CG 4.25Å; F172-L184 HydrophobicContact CZ-CD2 4.08Å; F172-L184 HydrophobicContact CZ-CG 4.04Å; K180-L184 WeakPolarHBondContact O-CB 3.4Å; K180-L184 VanDerWaalsContact O-CG 3.29Å; K180-L184 WeakPolarHBondContact O-CG 3.5Å; K180-L184 PolarHBondContact O-N 3Å; Q182-L184 VanDerWaalsContact C-N 3.33Å; Q182-L184 PolarHBondContact O-N 3.34Å; L184-L187 PolarHBondContact O-N 2.89Å; L184-T188 PolarHBondContact O-N 2.89Å; L184-T188 PolarHBondContact O-OG1 3.37Å; L184-T188 VanDerWaalsContact O-OG1 3.04Å
185K93.9Very high95.1Very high92 Ų9243.4 Ų43.440%0.421%0.214SC..Hα-helixtrans-64-44.1175-67.3174.4-174.1175.40112E181 Q182 Q183 T188 M189E181-K185 WeakPolarHBondContact O-CG 3.25Å; E181-K185 PolarHBondContact O-N 3.45Å; Q182-K185 WeakPolarHBondContact O-CB 3.01Å; Q182-K185 PolarHBondContact O-N 3.46Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 2.9Å; K185-T188 PolarHBondContact O-N 2.71Å; K185-M189 WeakPolarHBondContact O-CG 3.41Å; K185-M189 PolarHBondContact O-N 2.86Å
186T95.4Very high95.1Very high52 Ų5240.9 Ų40.932%0.31920%0.2SC..Hα-helixtrans-61.4-44.6177.3-60.70000111.6Q182 Q183 T188 M189 L190Q182-T186 PolarHBondContact O-N 3.49Å; Q182-T186 PolarHBondContact O-OG1 3.2Å; Q183-T186 PolarHBondContact O-N 3.22Å; T186-T188 VanDerWaalsContact C-N 3.34Å; T186-T188 PolarHBondContact O-N 3.14Å; T186-M189 PolarHBondContact O-N 3.45Å; T186-L190 HydrophobicContact CG2-CD1 4Å; T186-L190 HydrophobicContact CG2-CG 4.44Å; T186-L190 WeakPolarHBondContact O-CG 3.33Å; T186-L190 PolarHBondContact O-N 2.92Å
187L96.1Very high95.1Very high7 Ų739.3 Ų39.34%0.03719%0.186CC..Hα-helixtrans-61.5-42.4175.8-69.1175.6000111.3L160 V163 F164 Q183 L184 M189 L190 V191L160-L187 HydrophobicContact CD1-CB 4.19Å; L160-L187 HydrophobicContact CD1-CD1 4.29Å; L160-L187 HydrophobicContact CD1-CD2 4.2Å; L160-L187 HydrophobicContact CD1-CG 4.46Å; V163-L187 HydrophobicContact CG2-CD2 4.21Å; F164-L187 HydrophobicContact CB-CD1 4.37Å; F164-L187 HydrophobicContact CB-CD2 3.6Å; F164-L187 HydrophobicContact CD1-CD1 4.07Å; F164-L187 HydrophobicContact CD2-CD1 4.39Å; F164-L187 HydrophobicContact CD2-CD2 4.49Å; F164-L187 HydrophobicContact CE1-CD1 4.45Å; F164-L187 HydrophobicContact CG-CD1 4.02Å; F164-L187 HydrophobicContact CG-CD2 4.08Å; Q183-L187 HydrophobicContact CG-CD1 4.14Å; Q183-L187 HydrophobicContact CG-CG 4.23Å; Q183-L187 WeakPolarHBondContact O-CB 2.99Å; Q183-L187 VanDerWaalsContact O-CG 3.27Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 3.33Å; L184-L187 PolarHBondContact O-N 2.89Å; L187-M189 PolarHBondContact O-N 3.39Å; L187-L190 PolarHBondContact O-N 3.45Å; L187-V191 WeakPolarHBondContact O-CB 3.23Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 2.94Å
188T96.4Very high95Very high9 Ų937 Ų376%0.05518%0.178CC..Hα-helixtrans-57.3-50.6173.7-60.30000111.2L184 K185 T186 L190 V191 T192L184-T188 PolarHBondContact O-N 2.89Å; L184-T188 PolarHBondContact O-OG1 3.37Å; L184-T188 VanDerWaalsContact O-OG1 3.04Å; K185-T188 PolarHBondContact O-N 2.71Å; T186-T188 VanDerWaalsContact C-N 3.34Å; T186-T188 PolarHBondContact O-N 3.14Å; T188-L190 PolarHBondContact O-N 3.05Å; T188-V191 PolarHBondContact O-N 3.25Å; T188-T192 WeakPolarHBondContact O-CB 3.39Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.16Å
189M96.8Very high95Very high48 Ų4832 Ų3224%0.23616%0.156CC..Hα-helixtrans-61.7-42.4-179-67.6-178.2-63.600112.3K185 T186 L187 G193 V324 S327K185-M189 WeakPolarHBondContact O-CG 3.41Å; K185-M189 PolarHBondContact O-N 2.86Å; T186-M189 PolarHBondContact O-N 3.45Å; L187-M189 PolarHBondContact O-N 3.39Å; M189-G193 PolarHBondContact O-N 2.85Å; M189-V324 HydrophobicContact CB-CG1 4.35Å; M189-V324 HydrophobicContact CB-CG2 4.08Å; M189-V324 HydrophobicContact CE-CG1 4.25Å; M189-V324 HydrophobicContact SD-CG1 3.91Å; M189-S327 WeakPolarHBondContact CA-OG 3.49Å; M189-S327 VanDerWaalsContact O-CB 3.23Å; M189-S327 WeakPolarHBondContact O-CB 3.42Å
190L96.1Very high94.7Very high8 Ų832.8 Ų32.84%0.04216%0.157CC..Hα-helixtrans-64.1-48.7178-71.3171.6000111.7V163 T186 L187 T188 T192 G193 I194 F320 F323 V324V163-L190 HydrophobicContact CB-CD1 4.44Å; V163-L190 HydrophobicContact CG2-CB 4.38Å; T186-L190 HydrophobicContact CG2-CD1 4Å; T186-L190 HydrophobicContact CG2-CG 4.44Å; T186-L190 WeakPolarHBondContact O-CG 3.33Å; T186-L190 PolarHBondContact O-N 2.92Å; L187-L190 PolarHBondContact O-N 3.45Å; T188-L190 PolarHBondContact O-N 3.05Å; L190-T192 PolarHBondContact O-N 3.42Å; L190-G193 PolarHBondContact O-N 2.88Å; L190-I194 WeakPolarHBondContact O-CD1 3.23Å; L190-I194 VanDerWaalsContact O-CG1 3.27Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.21Å; L190-F320 HydrophobicContact CD1-CD2 3.99Å; L190-F320 HydrophobicContact CD1-CE2 4.15Å; L190-F320 HydrophobicContact CD1-CG 4.43Å; L190-F320 HydrophobicContact CD2-CB 3.64Å; L190-F320 HydrophobicContact CD2-CD1 4.11Å; L190-F320 HydrophobicContact CD2-CD2 4.07Å; L190-F320 HydrophobicContact CD2-CG 3.69Å; L190-F323 HydrophobicContact CD2-CB 4.21Å; L190-V324 HydrophobicContact CD2-CG2 3.81Å; L190-V324 HydrophobicContact CG-CG2 4.23Å
191V96.1Very high94.4Very high1 Ų134.8 Ų34.81%0.00617%0.171CC..Hα-helixtrans-64.3-41.8-179.4171.90000111.1V138 V156 A159 L160 V163 L187 T188 I194 R195V138-V191 HydrophobicContact CG1-CB 3.77Å; V138-V191 HydrophobicContact CG1-CG1 3.64Å; V138-V191 HydrophobicContact CG1-CG2 4.27Å; V156-V191 HydrophobicContact CG1-CG1 4.05Å; A159-V191 HydrophobicContact CB-CG1 3.89Å; L160-V191 HydrophobicContact CB-CG2 3.99Å; L160-V191 HydrophobicContact CD1-CG2 3.84Å; V163-V191 HydrophobicContact CG2-CG2 4.26Å; L187-V191 WeakPolarHBondContact O-CB 3.23Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 2.94Å; T188-V191 PolarHBondContact O-N 3.25Å; V191-I194 PolarHBondContact O-N 3.3Å; V191-R195 HydrophobicContact CG1-CG 4.43Å; V191-R195 WeakPolarHBondContact O-CG 3.35Å; V191-R195 PolarHBondContact O-N 3.32Å
192T95.9Very high94.1Very high4 Ų434.6 Ų34.63%0.02519%0.189CC..Hα-helixtrans-56.4-51.7173-62.90000110.8S142 L144 T188 L190 I194 R195 L196 S327S142-T192 WeakPolarHBondContact CB-OG1 3.25Å; L144-T192 HydrophobicContact CD1-CG2 3.79Å; T188-T192 WeakPolarHBondContact O-CB 3.39Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.16Å; L190-T192 PolarHBondContact O-N 3.42Å; T192-I194 PolarHBondContact O-N 3.17Å; T192-R195 PolarHBondContact O-N 2.82Å; T192-L196 HydrophobicContact CG2-CD1 3.99Å; T192-L196 VanDerWaalsContact O-CG 3.3Å; T192-L196 WeakPolarHBondContact O-CG 3.48Å; T192-L196 PolarHBondContact O-N 2.76Å; T192-S327 WeakPolarHBondContact CB-OG 3.4Å; T192-S327 WeakPolarHBondContact CG2-OG 3.41Å
193G95.5Very high93.7Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-59.3-42.4178.400000113.5M189 L190 L196 Y197 F323M189-G193 PolarHBondContact O-N 2.85Å; L190-G193 PolarHBondContact O-N 2.88Å; G193-L196 PolarHBondContact O-N 2.69Å; G193-Y197 WeakPolarHBondContact O-CB 3.31Å; G193-Y197 PolarHBondContact O-N 3.01Å; G193-F323 VanDerWaalsContact C-CD1 3.41Å; G193-F323 WeakPolarHBondContact CA-O 3.27Å
194I93.9Very high93.2Very high12 Ų1235.9 Ų35.96%0.06220%0.197CC..Hα-helixtrans-62.9-43.4177.4-70.3163.1000111A159 V163 L190 V191 T192 Y197 N198 F323A159-I194 HydrophobicContact CB-CB 4.31Å; A159-I194 HydrophobicContact CB-CG2 3.78Å; V163-I194 HydrophobicContact CG1-CD1 3.4Å; V163-I194 VanDerWaalsContact CG1-CD1 3.4Å; L190-I194 WeakPolarHBondContact O-CD1 3.23Å; L190-I194 VanDerWaalsContact O-CG1 3.27Å; L190-I194 WeakPolarHBondContact O-CG1 3.26Å; L190-I194 PolarHBondContact O-N 3.21Å; V191-I194 PolarHBondContact O-N 3.3Å; T192-I194 PolarHBondContact O-N 3.17Å; I194-Y197 PolarHBondContact O-N 2.97Å; I194-N198 WeakPolarHBondContact O-CB 3.27Å; I194-N198 PolarHBondContact O-N 3.39Å; I194-N198 PolarHBondContact O-ND2 3.01Å; I194-F323 HydrophobicContact CB-CE1 4.3Å; I194-F323 HydrophobicContact CD1-CD2 4.38Å; I194-F323 HydrophobicContact CD1-CE2 4.29Å; I194-F323 HydrophobicContact CG1-CD1 3.86Å; I194-F323 HydrophobicContact CG1-CD2 3.78Å; I194-F323 HydrophobicContact CG1-CE1 3.71Å; I194-F323 HydrophobicContact CG1-CE2 3.63Å; I194-F323 HydrophobicContact CG1-CG 3.89Å; I194-F323 HydrophobicContact CG1-CZ 3.62Å
195R94.7Very high92.7Very high1 Ų136 Ų360%0.00420%0.199CC..Hα-helixtrans-65.9-40.2178.8-71.7-175.269.2-147.8-3112.1L144 E155 A159 V191 T192 N198 K199 S207 I208L144-R195 VanDerWaalsContact CB-NH1 3.27Å; L144-R195 PolarHBondContact O-NH1 2.7Å; L144-R195 PolarHBondContact O-NH2 2.89Å; L144-R195 VanDerWaalsContact O-NH2 3.16Å; E155-R195 HydrophobicContact CG-CG 4.32Å; E155-R195 IonicContact OE1-NE 3.11Å; E155-R195 IonicContact OE2-CZ 2.71Å; E155-R195 IonicContact OE2-NE 2.7Å; E155-R195 PolarHBondContact OE2-NE 2.96Å; E155-R195 IonicContact OE2-NH2 2.71Å; E155-R195 PolarHBondContact OE2-NH2 3.32Å; A159-R195 HydrophobicContact CB-CG 4.1Å; V191-R195 HydrophobicContact CG1-CG 4.43Å; V191-R195 WeakPolarHBondContact O-CG 3.35Å; V191-R195 PolarHBondContact O-N 3.32Å; T192-R195 PolarHBondContact O-N 2.82Å; R195-N198 PolarHBondContact O-N 2.54Å; R195-K199 PolarHBondContact O-N 2.89Å; R195-S207 PolarHBondContact NH2-OG 3.15Å; R195-I208 HydrophobicContact CB-CD1 4.11Å
196L95Very high92.2Very high4 Ų439.7 Ų39.72%0.02122%0.223CC..Hα-helixtrans-62.4-42.8174.3-67.3169.1000111.8L144 T192 G193 K199 E200 I208 F297 L326 W330L144-L196 HydrophobicContact CD1-CD2 4.4Å; L144-L196 HydrophobicContact CD1-CG 4.47Å; T192-L196 HydrophobicContact CG2-CD1 3.99Å; T192-L196 VanDerWaalsContact O-CG 3.3Å; T192-L196 WeakPolarHBondContact O-CG 3.48Å; T192-L196 PolarHBondContact O-N 2.76Å; G193-L196 PolarHBondContact O-N 2.69Å; L196-K199 WeakPolarHBondContact O-CB 3.16Å; L196-K199 PolarHBondContact O-N 3.22Å; L196-E200 PolarHBondContact O-N 2.95Å; L196-E200 VanDerWaalsContact O-N 3.11Å; L196-I208 HydrophobicContact CD2-CD1 4.48Å; L196-I208 HydrophobicContact CD2-CG2 4.13Å; L196-F297 HydrophobicContact CD1-CE2 4.31Å; L196-L326 HydrophobicContact CD1-CB 4.5Å; L196-W330 HydrophobicContact CD1-CB 3.55Å; L196-W330 HydrophobicContact CD1-CD2 3.98Å; L196-W330 HydrophobicContact CD1-CE3 4.2Å; L196-W330 HydrophobicContact CD1-CG 3.72Å; L196-W330 HydrophobicContact CD2-CD2 3.5Å; L196-W330 HydrophobicContact CD2-CE3 3.55Å; L196-W330 HydrophobicContact CD2-CG 4.04Å; L196-W330 HydrophobicContact CD2-CH2 4.05Å; L196-W330 HydrophobicContact CD2-CZ2 4.01Å; L196-W330 HydrophobicContact CD2-CZ3 3.84Å; L196-W330 HydrophobicContact CG-CD2 4.4Å
197Y93.9Very high91.6Very high24 Ų2439 Ų399%0.09422%0.22CC..Hα-helixtrans-64.2-42.2174.4175.6-101000112.6G193 I194 K199 E200 C201 M301 L304 K305 V308 F323G193-Y197 WeakPolarHBondContact O-CB 3.31Å; G193-Y197 PolarHBondContact O-N 3.01Å; I194-Y197 PolarHBondContact O-N 2.97Å; Y197-K199 VanDerWaalsContact C-N 3.32Å; Y197-K199 PolarHBondContact O-N 2.8Å; Y197-E200 PolarHBondContact O-N 3.33Å; Y197-C201 VanDerWaalsContact CZ-SG 3.54Å; Y197-C201 PolarHBondContact O-N 3.19Å; Y197-C201 PolarHBondContact O-SG 3.23Å; Y197-M301 HydrophobicContact CD2-SD 3.89Å; Y197-L304 HydrophobicContact CD2-CB 4.46Å; Y197-L304 HydrophobicContact CD2-CD2 3.39Å; Y197-L304 HydrophobicContact CD2-CG 3.68Å; Y197-L304 HydrophobicContact CE2-CD2 4.15Å; Y197-L304 HydrophobicContact CE2-CG 3.92Å; Y197-L304 HydrophobicContact CG-CD2 3.76Å; Y197-L304 HydrophobicContact CG-CG 4.35Å; Y197-K305 HydrophobicContact CE2-CG 3.9Å; Y197-V308 HydrophobicContact CE1-CG1 4.44Å; Y197-F323 HydrophobicContact CD1-CE1 4.39Å; Y197-F323 HydrophobicContact CG-CE1 4.16Å
198N92.4Very high91.4Very high39 Ų3939 Ų3921%0.20922%0.22CC..Hα-helixtrans-64.5-37.6177.3-73.4-16.4000112I194 R195 C201 G202 K203 G204I194-N198 WeakPolarHBondContact O-CB 3.27Å; I194-N198 PolarHBondContact O-N 3.39Å; I194-N198 PolarHBondContact O-ND2 3.01Å; R195-N198 PolarHBondContact O-N 2.54Å; N198-C201 PolarHBondContact O-N 2.91Å; N198-G202 PolarHBondContact O-N 2.65Å; N198-K203 PolarHBondContact O-N 2.94Å; N198-G204 PolarHBondContact O-N 3.44Å
199K92.6Very high91.1Very high58 Ų5843.8 Ų43.825%0.25225%0.245SC..Hα-helixtrans-55.4-53.1170.7-172.6-170179.3179.80110.8R195 L196 Y197 C201 G202 G204 I208 D209R195-K199 PolarHBondContact O-N 2.89Å; L196-K199 WeakPolarHBondContact O-CB 3.16Å; L196-K199 PolarHBondContact O-N 3.22Å; Y197-K199 VanDerWaalsContact C-N 3.32Å; Y197-K199 PolarHBondContact O-N 2.8Å; K199-C201 PolarHBondContact O-N 2.96Å; K199-G202 PolarHBondContact O-N 2.81Å; K199-G204 WeakPolarHBondContact CA-O 3.5Å; K199-I208 HydrophobicContact CD-CB 3.95Å; K199-I208 HydrophobicContact CD-CG2 3.91Å; K199-I208 VanDerWaalsContact CE-O 3.29Å; K199-I208 WeakPolarHBondContact CE-O 3.4Å; K199-I208 PolarHBondContact NZ-O 3.35Å; K199-D209 PolarHBondContact NZ-O 2.94Å; K199-D209 VanDerWaalsContact NZ-O 3.12Å
200E90.2Very high90.9Very high98 Ų9845.5 Ų45.546%0.45826%0.256SS..Hα-helixtrans-63-30.2-178.2-174.966.2-16400113.1L196 Y197 G202 M301 K305L196-E200 PolarHBondContact O-N 2.95Å; L196-E200 VanDerWaalsContact O-N 3.11Å; Y197-E200 PolarHBondContact O-N 3.33Å; E200-G202 VanDerWaalsContact C-N 3.32Å; E200-M301 HydrophobicContact CB-CE 3.97Å; E200-M301 HydrophobicContact CB-CG 4.33Å; E200-M301 HydrophobicContact CB-SD 3.85Å; E200-M301 HydrophobicContact CG-CE 4.29Å; E200-M301 HydrophobicContact CG-CG 3.68Å; E200-M301 HydrophobicContact CG-SD 3.84Å; E200-K305 IonicContact OE1-NZ 2.62Å; E200-K305 PolarHBondContact OE1-NZ 2.9Å
201C88.9Confident90.8Very high44 Ų4445.9 Ų45.930%0.29726%0.258SS..THydrogen-bonded Turntrans-84.30.4175.2-72.30000114.1Y197 N198 K199 K203Y197-C201 VanDerWaalsContact CZ-SG 3.54Å; Y197-C201 PolarHBondContact O-N 3.19Å; Y197-C201 PolarHBondContact O-SG 3.23Å; N198-C201 PolarHBondContact O-N 2.91Å; K199-C201 PolarHBondContact O-N 2.96Å; C201-K203 HydrophobicContact CB-CD 4.21Å; C201-K203 HydrophobicContact CB-CG 4.18Å; C201-K203 PolarHBondContact O-N 3.16Å
202G86.8Confident90.8Very high70 Ų7046.5 Ų46.572%0.72226%0.261SS*.THydrogen-bonded Turntrans66.922.1-175.600000114.2N198 K199 E200N198-G202 PolarHBondContact O-N 2.65Å; K199-G202 PolarHBondContact O-N 2.81Å; E200-G202 VanDerWaalsContact C-N 3.32Å
203K85.8Confident90.7Very high163 Ų16348.5 Ų48.571%0.70928%0.278SS*.SBendtrans-103.32.1-177.5-65.4179.6-177.1173.30113.5N198 C201N198-K203 PolarHBondContact O-N 2.94Å; C201-K203 HydrophobicContact CB-CD 4.21Å; C201-K203 HydrophobicContact CB-CG 4.18Å; C201-K203 PolarHBondContact O-N 3.16Å
204G86.3Confident90.8Very high19 Ų1952 Ų5220%0.19630%0.297CS..SBendtrans174-164.3-175.800000111.8E155 N198 K199 N206E155-G204 WeakPolarHBondContact OE1-CA 3.37Å; N198-G204 PolarHBondContact O-N 3.44Å; K199-G204 WeakPolarHBondContact CA-O 3.5Å; G204-N206 PolarHBondContact O-N 2.98Å
205G84.2Confident90.9Very high3 Ų351.5 Ų51.53%0.03129%0.294CS..  trans76.516.3168.800000117E155 S207 I208E155-G205 PolarHBondContact OE1-N 3.37Å; G205-S207 PolarHBondContact O-N 3.06Å; G205-S207 VanDerWaalsContact O-N 3.15Å; G205-I208 WeakPolarHBondContact O-CB 3.26Å; G205-I208 PolarHBondContact O-N 3.17Å
206N83.3Confident90.9Very high169 Ų16955.8 Ų55.890%0.90432%0.317SS*.THydrogen-bonded Turntrans-58.7-27178.7-68.3-18.4000113.5G204G204-N206 PolarHBondContact O-N 2.98Å
207S83.8Confident91Very high37 Ų3762.8 Ų62.826%0.25935%0.349SS..THydrogen-bonded Turntrans-87.9-1.7178.775.60000113.8V152 R195 G205V152-S207 VanDerWaalsContact CG2-CB 3.5Å; V152-S207 VanDerWaalsContact CG2-OG 3.29Å; V152-S207 WeakPolarHBondContact CG2-OG 3.39Å; R195-S207 PolarHBondContact NH2-OG 3.15Å; G205-S207 PolarHBondContact O-N 3.06Å; G205-S207 VanDerWaalsContact O-N 3.15Å
208I91.1Very high91.1Very high7 Ų763.3 Ų63.34%0.03636%0.359CS..SBendtrans-93.7113.8-176.9-61.3173.9000107.3L144 R195 L196 K199 G205 W330L144-I208 HydrophobicContact CB-CG1 4.28Å; L144-I208 HydrophobicContact CD1-CD1 4.02Å; L144-I208 HydrophobicContact CD1-CG1 4.38Å; L144-I208 HydrophobicContact CD2-CB 4.47Å; L144-I208 HydrophobicContact CD2-CG1 4.15Å; L144-I208 HydrophobicContact CD2-CG2 3.81Å; R195-I208 HydrophobicContact CB-CD1 4.11Å; L196-I208 HydrophobicContact CD2-CD1 4.48Å; L196-I208 HydrophobicContact CD2-CG2 4.13Å; K199-I208 HydrophobicContact CD-CB 3.95Å; K199-I208 HydrophobicContact CD-CG2 3.91Å; K199-I208 VanDerWaalsContact CE-O 3.29Å; K199-I208 WeakPolarHBondContact CE-O 3.4Å; K199-I208 PolarHBondContact NZ-O 3.35Å; G205-I208 WeakPolarHBondContact O-CB 3.26Å; G205-I208 PolarHBondContact O-N 3.17Å; I208-W330 HydrophobicContact CG2-CH2 3.89Å; I208-W330 HydrophobicContact CG2-CZ2 3.46Å; I208-W330 VanDerWaalsContact CG2-CZ2 3.46Å
209D90.5Very high91.4Very high111 Ų11161.9 Ų61.959%0.59435%0.351SS*.  trans-59.4152.9175.8-63.1-40.4000111.8K199 L211 I214 W330K199-D209 PolarHBondContact NZ-O 2.94Å; K199-D209 VanDerWaalsContact NZ-O 3.12Å; D209-L211 HydrophobicContact CB-CD2 3.83Å; D209-L211 PolarHBondContact O-N 2.81Å; D209-I214 HydrophobicContact CB-CD1 4Å; D209-W330 WeakPolarHBondContact O-CH2 3.4Å; D209-W330 WeakPolarHBondContact O-CZ2 3.29Å
210D92.2Very high91.6Very high84 Ų8462.1 Ų62.145%0.44936%0.358SS..  trans-85.579.1172.4-167.8-18.6000109.7P212 A213 I214D210-P212 VanDerWaalsContact C-N 3.34Å; D210-P212 VanDerWaalsContact OD1-CD 3.27Å; D210-P212 WeakPolarHBondContact OD1-CD 3.33Å; D210-A213 HydrophobicContact CB-CB 3.97Å; D210-A213 VanDerWaalsContact CG-CB 3.4Å; D210-A213 PolarHBondContact O-N 3.08Å; D210-A213 PolarHBondContact OD1-N 3.26Å; D210-I214 VanDerWaalsContact O-CG1 3.28Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.44Å
211L94.6Very high91.9Very high16 Ų1660.2 Ų60.28%0.08436%0.356CS..Hα-helixtrans-57.5-41.3-179.5-50.4-174.1000112.7D209 A213 I214 L215 W330 F333 Q334 I337D209-L211 HydrophobicContact CB-CD2 3.83Å; D209-L211 PolarHBondContact O-N 2.81Å; L211-A213 PolarHBondContact O-N 3.22Å; L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.06Å; L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.5Å; L211-W330 HydrophobicContact CB-CH2 4.21Å; L211-W330 HydrophobicContact CB-CZ2 4.25Å; L211-W330 HydrophobicContact CD1-CD2 4.29Å; L211-W330 HydrophobicContact CD1-CH2 4.36Å; L211-W330 HydrophobicContact CD1-CZ2 3.62Å; L211-W330 HydrophobicContact CG-CH2 3.9Å; L211-W330 HydrophobicContact CG-CZ2 3.47Å; L211-W330 VanDerWaalsContact CG-CZ2 3.47Å; L211-F333 HydrophobicContact CB-CB 4Å; L211-F333 HydrophobicContact CD1-CB 4.12Å; L211-Q334 HydrophobicContact CD1-CG 3.49Å; L211-Q334 VanDerWaalsContact CD1-CG 3.49Å; L211-I337 HydrophobicContact CB-CD1 3.91Å; L211-I337 HydrophobicContact CD1-CD1 4.2Å; L211-I337 HydrophobicContact CD2-CD1 3.55Å; L211-I337 HydrophobicContact CG-CD1 4.05Å
212P94.9Very high92.3Very high13 Ų1358.7 Ų58.78%0.08435%0.346CS..Hα-helixtrans-55.3-48.2172.7-27.434.8000113.3D210 L215 N216 W330 F333D210-P212 VanDerWaalsContact C-N 3.34Å; D210-P212 VanDerWaalsContact OD1-CD 3.27Å; D210-P212 WeakPolarHBondContact OD1-CD 3.33Å; P212-L215 PolarHBondContact O-N 3.14Å; P212-N216 WeakPolarHBondContact O-CB 3.32Å; P212-N216 VanDerWaalsContact O-CG 3.23Å; P212-N216 PolarHBondContact O-N 3.4Å; P212-N216 PolarHBondContact O-ND2 3.22Å; P212-N216 VanDerWaalsContact O-ND2 3.08Å; P212-W330 HydrophobicContact CG-CZ3 4.46Å; P212-F333 HydrophobicContact CG-CD2 4.23Å; P212-F333 HydrophobicContact CG-CE1 4.41Å; P212-F333 HydrophobicContact CG-CE2 3.87Å; P212-F333 HydrophobicContact CG-CZ 3.95Å
213A94.9Very high92.7Very high46 Ų4657.9 Ų57.938%0.3832%0.324SS..Hα-helixtrans-64-44.417800000112D210 L211 L215 N216 E217D210-A213 HydrophobicContact CB-CB 3.97Å; D210-A213 VanDerWaalsContact CG-CB 3.4Å; D210-A213 PolarHBondContact O-N 3.08Å; D210-A213 PolarHBondContact OD1-N 3.26Å; L211-A213 PolarHBondContact O-N 3.22Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.37Å; A213-N216 PolarHBondContact O-N 3.14Å; A213-E217 PolarHBondContact O-N 3.45Å; A213-E217 VanDerWaalsContact O-N 3.16Å
214I96.6Very high93.2Very high75 Ų7557.2 Ų57.239%0.38532%0.317SS..Hα-helixtrans-58.9-45177.7-68.4165.1000110.8D209 D210 L211 E217 A218D209-I214 HydrophobicContact CB-CD1 4Å; D210-I214 VanDerWaalsContact O-CG1 3.28Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.44Å; L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.06Å; I214-E217 PolarHBondContact O-N 3.3Å; I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 3.42Å
215L97.1Very high93.7Very high1 Ų158.4 Ų58.41%0.00533%0.326CS..Hα-helixtrans-67.6-40.2179.1-76.5164.8000112.2L211 P212 A213 E217 A218 I219 V290 F333 E336 I337 L340L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.5Å; P212-L215 PolarHBondContact O-N 3.14Å; A213-L215 VanDerWaalsContact C-N 3.33Å; A213-L215 PolarHBondContact O-N 3.37Å; L215-E217 PolarHBondContact O-N 3.29Å; L215-A218 PolarHBondContact O-N 3.36Å; L215-I219 HydrophobicContact CB-CD1 4.37Å; L215-I219 HydrophobicContact CD2-CD1 4.28Å; L215-I219 HydrophobicContact CD2-CG1 4.48Å; L215-I219 WeakPolarHBondContact O-CB 3.36Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 2.76Å; L215-V290 HydrophobicContact CB-CG1 4.1Å; L215-V290 HydrophobicContact CB-CG2 4.36Å; L215-V290 HydrophobicContact CD1-CG1 4.42Å; L215-V290 HydrophobicContact CD1-CG2 3.89Å; L215-V290 HydrophobicContact CD2-CG2 4.39Å; L215-V290 HydrophobicContact CG-CG2 4.45Å; L215-F333 HydrophobicContact CD1-CB 3.99Å; L215-F333 HydrophobicContact CD1-CD1 3.69Å; L215-F333 HydrophobicContact CD1-CG 4.27Å; L215-E336 HydrophobicContact CD1-CB 4.13Å; L215-E336 HydrophobicContact CD2-CB 4.04Å; L215-I337 HydrophobicContact CD1-CG1 4.04Å; L215-I337 HydrophobicContact CD2-CG1 3.56Å; L215-I337 HydrophobicContact CG-CD1 4.31Å; L215-I337 HydrophobicContact CG-CG1 3.71Å; L215-L340 HydrophobicContact CD2-CD2 4.44Å
216N94.8Very high94.3Very high90 Ų9058.4 Ų58.448%0.48133%0.325SS..Hα-helixtrans-63.2-24176.8-76-32.8000113.1P212 A213 P220P212-N216 WeakPolarHBondContact O-CB 3.32Å; P212-N216 VanDerWaalsContact O-CG 3.23Å; P212-N216 PolarHBondContact O-N 3.4Å; P212-N216 PolarHBondContact O-ND2 3.22Å; P212-N216 VanDerWaalsContact O-ND2 3.08Å; A213-N216 PolarHBondContact O-N 3.14Å; N216-P220 WeakPolarHBondContact O-CD 3.45Å; N216-P220 VanDerWaalsContact O-CG 3.28Å; N216-P220 WeakPolarHBondContact O-CG 3.39Å
217E96.1Very high94.9Very high152 Ų15253.6 Ų53.671%0.7130%0.299SS*.Hα-helixtrans-89.8-46172.2-174-178.5170.800112.2A213 I214 L215 P220 S221A213-E217 PolarHBondContact O-N 3.45Å; A213-E217 VanDerWaalsContact O-N 3.16Å; I214-E217 PolarHBondContact O-N 3.3Å; L215-E217 PolarHBondContact O-N 3.29Å; E217-P220 WeakPolarHBondContact O-CD 3.45Å; E217-S221 PolarHBondContact O-N 3.44Å
218A96.8Very high95.4Very high35 Ų3557.9 Ų57.929%0.28932%0.315SS..Hα-helixtrans-69.4-37.5-172.500000112.8I214 L215 S221 A222 L340I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.36Å; A218-S221 WeakPolarHBondContact O-CB 3.41Å; A218-S221 PolarHBondContact O-N 3.25Å; A218-A222 WeakPolarHBondContact O-CB 3.3Å; A218-A222 PolarHBondContact O-N 3.43Å; A218-L340 HydrophobicContact CB-CD2 3.52Å
219I97.4Very high95.7Very high9 Ų958.2 Ų58.25%0.04632%0.319CS..Hα-helixtrans-64-53.7-179.4-70173.8000111L215 S221 A222 M223 V283 A287 V290 L340L215-I219 HydrophobicContact CB-CD1 4.37Å; L215-I219 HydrophobicContact CD2-CD1 4.28Å; L215-I219 HydrophobicContact CD2-CG1 4.48Å; L215-I219 WeakPolarHBondContact O-CB 3.36Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 2.76Å; I219-S221 PolarHBondContact O-N 2.94Å; I219-A222 PolarHBondContact O-N 3.27Å; I219-A222 VanDerWaalsContact O-N 3.11Å; I219-M223 HydrophobicContact CG2-CG 4.46Å; I219-M223 HydrophobicContact CG2-SD 4.09Å; I219-M223 WeakPolarHBondContact O-CG 3.44Å; I219-M223 PolarHBondContact O-N 3.4Å; I219-V283 HydrophobicContact CG2-CG1 4.16Å; I219-A287 HydrophobicContact CG2-CB 3.73Å; I219-V290 HydrophobicContact CD1-CB 4.16Å; I219-V290 HydrophobicContact CD1-CG2 3.76Å; I219-L340 HydrophobicContact CG1-CD1 4.24Å; I219-L340 HydrophobicContact CG1-CD2 3.79Å
220P97.2Very high96Very high62 Ų6253.4 Ų53.440%0.40329%0.293SS..Hα-helixtrans-58.7-33.2174.3-26.835.7000113.6N216 E217 R224N216-P220 WeakPolarHBondContact O-CD 3.45Å; N216-P220 VanDerWaalsContact O-CG 3.28Å; N216-P220 WeakPolarHBondContact O-CG 3.39Å; E217-P220 WeakPolarHBondContact O-CD 3.45Å; P220-R224 WeakPolarHBondContact O-CG 3.22Å; P220-R224 PolarHBondContact O-N 3.2Å
221S96.6Very high96.1Very high59 Ų5953.8 Ų53.841%0.41330%0.295SS..Hα-helixtrans-65.7-43.6174.6-165.90000112.3E217 A218 I219 R224 A225E217-S221 PolarHBondContact O-N 3.44Å; A218-S221 WeakPolarHBondContact O-CB 3.41Å; A218-S221 PolarHBondContact O-N 3.25Å; I219-S221 PolarHBondContact O-N 2.94Å; S221-R224 PolarHBondContact O-N 3.06Å; S221-A225 PolarHBondContact O-N 3.4Å; S221-A225 VanDerWaalsContact O-N 3.14Å
222A96.7Very high96.1Very high11 Ų1156.3 Ų56.39%0.09131%0.311CS..Hα-helixtrans-66.9-39.9177.100000112.1A218 I219 A225 L226 L340A218-A222 WeakPolarHBondContact O-CB 3.3Å; A218-A222 PolarHBondContact O-N 3.43Å; I219-A222 PolarHBondContact O-N 3.27Å; I219-A222 VanDerWaalsContact O-N 3.11Å; A222-A225 PolarHBondContact O-N 2.97Å; A222-L226 PolarHBondContact O-N 3.39Å; A222-L226 VanDerWaalsContact O-N 3.07Å; A222-L340 HydrophobicContact CB-CD1 3.71Å; A222-L340 HydrophobicContact CB-CG 4.49Å
223M96.9Very high96.1Very high54 Ų5455.7 Ų55.727%0.26631%0.307SS..Hα-helixtrans-59.8-48.3174.2-69.9178.768.300111.3I219 A225 L226 D227 L280 V283 I284I219-M223 HydrophobicContact CG2-CG 4.46Å; I219-M223 HydrophobicContact CG2-SD 4.09Å; I219-M223 WeakPolarHBondContact O-CG 3.44Å; I219-M223 PolarHBondContact O-N 3.4Å; M223-A225 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 2.95Å; M223-L226 WeakPolarHBondContact O-CB 3.3Å; M223-L226 PolarHBondContact O-N 3.23Å; M223-L226 VanDerWaalsContact O-N 3.15Å; M223-D227 PolarHBondContact O-N 2.99Å; M223-L280 HydrophobicContact CG-CD1 4.5Å; M223-V283 HydrophobicContact CG-CG1 3.45Å; M223-V283 VanDerWaalsContact CG-CG1 3.45Å; M223-V283 HydrophobicContact SD-CG1 4.4Å; M223-I284 HydrophobicContact CE-CG1 4.15Å
224R96.1Very high96.1Very high148 Ų14857 Ų5756%0.55831%0.305SS*.Hα-helixtrans-58.6-42.8177.1-76.2-174.3-64.7144.6-1.7112.8P220 S221 L226 D227 E228P220-R224 WeakPolarHBondContact O-CG 3.22Å; P220-R224 PolarHBondContact O-N 3.2Å; S221-R224 PolarHBondContact O-N 3.06Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.21Å; R224-D227 PolarHBondContact O-N 3.39Å; R224-E228 WeakPolarHBondContact O-CB 3.02Å; R224-E228 WeakPolarHBondContact O-CG 3.48Å; R224-E228 PolarHBondContact O-N 2.94Å
225A95.3Very high95.9Very high45 Ų4557.9 Ų57.937%0.37231%0.314SS..Hα-helixtrans-62.9-39177.500000112.3S221 A222 M223 A229S221-A225 PolarHBondContact O-N 3.4Å; S221-A225 VanDerWaalsContact O-N 3.14Å; A222-A225 PolarHBondContact O-N 2.97Å; M223-A225 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 2.95Å; A225-A229 WeakPolarHBondContact O-CB 3.31Å; A225-A229 PolarHBondContact O-N 2.84Å; A225-A229 VanDerWaalsContact O-N 3.14Å
226L96.9Very high95.8Very high2 Ų259.1 Ų59.11%0.0132%0.321CS..Hα-helixtrans-67.1-43.3173.8-77.3166.1000111.8A222 M223 R224 A229 L230 L276 L279 L280 V283 T347A222-L226 PolarHBondContact O-N 3.39Å; A222-L226 VanDerWaalsContact O-N 3.07Å; M223-L226 WeakPolarHBondContact O-CB 3.3Å; M223-L226 PolarHBondContact O-N 3.23Å; M223-L226 VanDerWaalsContact O-N 3.15Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.21Å; L226-A229 PolarHBondContact O-N 2.9Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 WeakPolarHBondContact O-CG 3.21Å; L226-L230 PolarHBondContact O-N 3.38Å; L226-L276 HydrophobicContact CD2-CD2 3.64Å; L226-L279 HydrophobicContact CD1-CB 4.49Å; L226-L279 HydrophobicContact CD2-CB 4.11Å; L226-L280 HydrophobicContact CB-CD1 4.23Å; L226-L280 HydrophobicContact CD1-CB 4.24Å; L226-L280 HydrophobicContact CD1-CD1 4.17Å; L226-V283 HydrophobicContact CD1-CB 4.4Å; L226-V283 HydrophobicContact CD1-CG2 3.78Å; L226-T347 HydrophobicContact CD2-CG2 3.72Å; L226-T347 WeakPolarHBondContact CD2-OG1 3.47Å; L226-T347 HydrophobicContact CG-CG2 4.37Å
227D96.3Very high95.9Very high68 Ų6854.8 Ų54.836%0.36430%0.298SS..Hα-helixtrans-63.1-41.2177.7-71.9-30.3000111.7M223 R224 A229 L230 N231M223-D227 PolarHBondContact O-N 2.99Å; R224-D227 PolarHBondContact O-N 3.39Å; D227-A229 VanDerWaalsContact C-N 3.35Å; D227-L230 PolarHBondContact O-N 2.7Å; D227-N231 WeakPolarHBondContact O-CB 3.36Å; D227-N231 PolarHBondContact O-N 3.42Å; D227-N231 PolarHBondContact O-ND2 3.29Å; D227-N231 VanDerWaalsContact O-ND2 3.08Å
228E95.5Very high95.8Very high128 Ų12847.9 Ų47.960%0.59827%0.266SS*.Hα-helixtrans-61-42.9173.6-74.8171.5-167.400111.8R224 N231 T232R224-E228 WeakPolarHBondContact O-CB 3.02Å; R224-E228 WeakPolarHBondContact O-CG 3.48Å; R224-E228 PolarHBondContact O-N 2.94Å; E228-N231 PolarHBondContact O-N 3.08Å; E228-T232 PolarHBondContact O-N 2.93Å; E228-T232 VanDerWaalsContact O-N 3.15Å; E228-T232 PolarHBondContact O-OG1 3.28Å; E228-T232 VanDerWaalsContact O-OG1 3.09Å
229A95.8Very high95.7Very high14 Ų1447 Ų4712%0.11626%0.257CS..Hα-helixtrans-66.3-39.8175.900000112.5A225 L226 D227 T232 C233 Y272 L276A225-A229 WeakPolarHBondContact O-CB 3.31Å; A225-A229 PolarHBondContact O-N 2.84Å; A225-A229 VanDerWaalsContact O-N 3.14Å; L226-A229 PolarHBondContact O-N 2.9Å; D227-A229 VanDerWaalsContact C-N 3.35Å; A229-T232 WeakPolarHBondContact O-CB 3.38Å; A229-T232 PolarHBondContact O-N 2.71Å; A229-C233 PolarHBondContact O-N 3.27Å; A229-C233 PolarHBondContact O-SG 3.4Å; A229-Y272 HydrophobicContact CB-CE1 4.36Å; A229-L276 HydrophobicContact CB-CD1 3.62Å; A229-L276 HydrophobicContact CB-CD2 4.2Å
230L96.6Very high95.6Very high10 Ų1046.5 Ų46.55%0.05226%0.255CS..Hα-helixtrans-65.4-42.2174.3-77.9169000111.7L226 D227 T232 C233 H234 E273 L276 L280L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 WeakPolarHBondContact O-CG 3.21Å; L226-L230 PolarHBondContact O-N 3.38Å; D227-L230 PolarHBondContact O-N 2.7Å; L230-T232 PolarHBondContact O-N 3.02Å; L230-C233 CarbonylContact O-C 3.58Å; L230-C233 WeakPolarHBondContact O-CA 3.1Å; L230-C233 VanDerWaalsContact O-CB 3.27Å; L230-C233 WeakPolarHBondContact O-CB 3.41Å; L230-C233 PolarHBondContact O-N 3.46Å; L230-H234 VanDerWaalsContact O-CG 3.3Å; L230-H234 PolarHBondContact O-N 3.48Å; L230-H234 PolarHBondContact O-ND1 3.49Å; L230-E273 HydrophobicContact CD2-CG 4.13Å; L230-L276 HydrophobicContact CD2-CB 3.64Å; L230-L276 HydrophobicContact CD2-CD1 3.99Å; L230-L276 HydrophobicContact CG-CB 3.97Å; L230-L276 HydrophobicContact CG-CD1 4.04Å; L230-L280 HydrophobicContact CD1-CD2 3.72Å
231N95.3Very high95.5Very high92 Ų9243.7 Ų43.749%0.49224%0.236SC..Hα-helixtrans-59.9-34.6175.9-73.8-31.9000112.2D227 E228 C233 H234 T235D227-N231 WeakPolarHBondContact O-CB 3.36Å; D227-N231 PolarHBondContact O-N 3.42Å; D227-N231 PolarHBondContact O-ND2 3.29Å; D227-N231 VanDerWaalsContact O-ND2 3.08Å; E228-N231 PolarHBondContact O-N 3.08Å; N231-C233 VanDerWaalsContact C-N 3.33Å; N231-H234 PolarHBondContact O-N 3.17Å; N231-T235 PolarHBondContact O-N 3.23Å; N231-T235 PolarHBondContact O-OG1 2.66Å
232T94.1Very high95.4Very high68 Ų6841 Ų4142%0.41722%0.218SC..Hα-helixtrans-61.6-43.2171.9-55.80000110.8E228 A229 L230 T235 L236E228-T232 PolarHBondContact O-N 2.93Å; E228-T232 VanDerWaalsContact O-N 3.15Å; E228-T232 PolarHBondContact O-OG1 3.28Å; E228-T232 VanDerWaalsContact O-OG1 3.09Å; A229-T232 WeakPolarHBondContact O-CB 3.38Å; A229-T232 PolarHBondContact O-N 2.71Å; L230-T232 PolarHBondContact O-N 3.02Å; T232-T235 PolarHBondContact O-N 3.47Å; T232-L236 HydrophobicContact CG2-CD1 3.95Å; T232-L236 WeakPolarHBondContact O-CG 3.37Å; T232-L236 PolarHBondContact O-N 2.86Å
233C95.7Very high95.3Very high1 Ų140.4 Ų40.41%0.00721%0.213CC..Hα-helixtrans-64.3-46.5175.8-55.40000112A229 L230 N231 T235 L236 A237 V269 Y272 E273A229-C233 PolarHBondContact O-N 3.27Å; A229-C233 PolarHBondContact O-SG 3.4Å; L230-C233 CarbonylContact O-C 3.58Å; L230-C233 WeakPolarHBondContact O-CA 3.1Å; L230-C233 VanDerWaalsContact O-CB 3.27Å; L230-C233 WeakPolarHBondContact O-CB 3.41Å; L230-C233 PolarHBondContact O-N 3.46Å; N231-C233 VanDerWaalsContact C-N 3.33Å; C233-T235 PolarHBondContact O-N 2.84Å; C233-T235 VanDerWaalsContact O-N 3.17Å; C233-L236 PolarHBondContact O-N 3.33Å; C233-A237 VanDerWaalsContact O-CB 3.3Å; C233-A237 WeakPolarHBondContact O-CB 3.41Å; C233-A237 PolarHBondContact O-N 2.72Å; C233-V269 HydrophobicContact CB-CG1 3.84Å; C233-Y272 WeakPolarHBondContact SG-CD1 3.36Å; C233-E273 HydrophobicContact CB-CB 3.94Å; C233-E273 HydrophobicContact CB-CG 4.18Å
234H93.9Very high95.2Very high73 Ų7338.1 Ų38.134%0.33820%0.202SC..Hα-helixtrans-63.9-17.5177.2-59.4154.5000113.2L230 N231 P238 E273L230-H234 VanDerWaalsContact O-CG 3.3Å; L230-H234 PolarHBondContact O-N 3.48Å; L230-H234 PolarHBondContact O-ND1 3.49Å; N231-H234 PolarHBondContact O-N 3.17Å; H234-P238 WeakPolarHBondContact O-CD 3.45Å; H234-P238 WeakPolarHBondContact O-CG 3.46Å; H234-E273 IonicContact CD2-OE1 2.85Å; H234-E273 IonicContact NE2-OE1 3.81Å
235T93.1Very high95Very high93 Ų9333.6 Ų33.657%0.57119%0.187SC*.Hα-helixtrans-87.2-48.7172.1-54.40000111.1N231 T232 C233 C239N231-T235 PolarHBondContact O-N 3.23Å; N231-T235 PolarHBondContact O-OG1 2.66Å; T232-T235 PolarHBondContact O-N 3.47Å; C233-T235 PolarHBondContact O-N 2.84Å; C233-T235 VanDerWaalsContact O-N 3.17Å; T235-C239 PolarHBondContact O-SG 3.27Å
236L95.4Very high94.8Very high27 Ų2732 Ų3214%0.14117%0.173CC..Hα-helixtrans-75.6-41.9-173.6-68.2175.2000113.7T232 C233 C239 Y240 V269 L366T232-L236 HydrophobicContact CG2-CD1 3.95Å; T232-L236 WeakPolarHBondContact O-CG 3.37Å; T232-L236 PolarHBondContact O-N 2.86Å; C233-L236 PolarHBondContact O-N 3.33Å; L236-C239 WeakPolarHBondContact O-CB 3.48Å; L236-C239 PolarHBondContact O-N 3.09Å; L236-C239 VanDerWaalsContact O-N 3.16Å; L236-Y240 HydrophobicContact CB-CE2 4.11Å; L236-Y240 WeakPolarHBondContact O-CD2 3.43Å; L236-Y240 PolarHBondContact O-N 3.01Å; L236-V269 HydrophobicContact CB-CG1 4.24Å; L236-V269 HydrophobicContact CB-CG2 4.25Å; L236-V269 HydrophobicContact CD1-CG2 4.33Å; L236-L366 HydrophobicContact CD2-CD2 3.91Å
237A95.4Very high94.5Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-64.8-42.2-174.400000113.1C233 C239 Y240 T241 L266 V269C233-A237 VanDerWaalsContact O-CB 3.3Å; C233-A237 WeakPolarHBondContact O-CB 3.41Å; C233-A237 PolarHBondContact O-N 2.72Å; A237-C239 VanDerWaalsContact C-N 3.32Å; A237-C239 PolarHBondContact O-N 3.15Å; A237-Y240 PolarHBondContact O-N 3.09Å; A237-T241 WeakPolarHBondContact O-CB 3.21Å; A237-T241 PolarHBondContact O-N 3.14Å; A237-T241 PolarHBondContact O-OG1 3.17Å; A237-L266 HydrophobicContact CB-CD1 4.09Å; A237-V269 HydrophobicContact CB-CG1 3.96Å
238P95.3Very high93.9Very high7 Ų734.6 Ų34.65%0.04518%0.183CC..Hα-helixtrans-55.9-41.6169.1-36.344.8000114.5H234 T241 A242 V375 K376H234-P238 WeakPolarHBondContact O-CD 3.45Å; H234-P238 WeakPolarHBondContact O-CG 3.46Å; P238-T241 PolarHBondContact O-N 3.27Å; P238-A242 VanDerWaalsContact O-CB 3.3Å; P238-A242 WeakPolarHBondContact O-CB 3.29Å; P238-A242 PolarHBondContact O-N 2.75Å; P238-V375 HydrophobicContact CB-CG1 3.64Å; P238-K376 WeakPolarHBondContact CB-O 3.22Å
239C95.3Very high93.5Very high15 Ų1536.7 Ų36.710%0.10119%0.193CC..Hα-helixtrans-62.5-50.6179.1-68.70000111.4T235 L236 A237 T241 A242 L243 L366 L370T235-C239 PolarHBondContact O-SG 3.27Å; L236-C239 WeakPolarHBondContact O-CB 3.48Å; L236-C239 PolarHBondContact O-N 3.09Å; L236-C239 VanDerWaalsContact O-N 3.16Å; A237-C239 VanDerWaalsContact C-N 3.32Å; A237-C239 PolarHBondContact O-N 3.15Å; C239-T241 VanDerWaalsContact C-N 3.32Å; C239-T241 PolarHBondContact O-N 3.36Å; C239-A242 PolarHBondContact O-N 2.82Å; C239-L243 WeakPolarHBondContact O-CG 3.48Å; C239-L243 PolarHBondContact O-N 3.18Å; C239-L366 HydrophobicContact CB-CD1 4.17Å; C239-L366 HydrophobicContact CB-CD2 3.9Å; C239-L366 HydrophobicContact CB-CG 4.26Å; C239-L370 HydrophobicContact CB-CD1 3.89Å; C239-L370 HydrophobicContact CB-CD2 4.49Å
240Y95.3Very high93.1Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-63.4-40.2176.7-62.6-42.9000112.2L236 A237 L243 L244 L262 A265 V269 Q357 F361 L366L236-Y240 HydrophobicContact CB-CE2 4.11Å; L236-Y240 WeakPolarHBondContact O-CD2 3.43Å; L236-Y240 PolarHBondContact O-N 3.01Å; A237-Y240 PolarHBondContact O-N 3.09Å; Y240-L243 PolarHBondContact O-N 3.44Å; Y240-L244 WeakPolarHBondContact O-CB 3.31Å; Y240-L244 VanDerWaalsContact O-CG 3.27Å; Y240-L244 WeakPolarHBondContact O-CG 3.36Å; Y240-L244 PolarHBondContact O-N 3.09Å; Y240-L262 HydrophobicContact CD1-CD2 3.81Å; Y240-L262 HydrophobicContact CE1-CD2 4.28Å; Y240-A265 HydrophobicContact CD2-CB 4.32Å; Y240-A265 HydrophobicContact CE1-CB 4.27Å; Y240-A265 HydrophobicContact CE2-CB 3.98Å; Y240-V269 HydrophobicContact CD2-CG2 4.37Å; Y240-V269 HydrophobicContact CE2-CG2 3.9Å; Y240-Q357 PolarHBondContact OH-OE1 3.43Å; Y240-F361 HydrophobicContact CE1-CB 4.08Å; Y240-F361 HydrophobicContact CE1-CD1 4.29Å; Y240-F361 AromaticContact CE1-CD2 3.79Å; Y240-F361 HydrophobicContact CE1-CD2 3.79Å; Y240-F361 HydrophobicContact CE1-CE2 4.3Å; Y240-F361 AromaticContact CE1-CG 3.79Å; Y240-F361 HydrophobicContact CE1-CG 3.79Å; Y240-F361 AromaticContact CZ-CD2 3.94Å; Y240-F361 WeakPolarHBondContact OH-CB 3.45Å; Y240-F361 WeakPolarHBondContact OH-CD2 3.36Å; Y240-L366 HydrophobicContact CD1-CD1 4.26Å; Y240-L366 HydrophobicContact CE1-CD1 3.95Å
241T95.1Very high92.7Very high2 Ų245.2 Ų45.21%0.01223%0.232CC..Hα-helixtrans-59.7-48.1175.6-56.20000111.2A237 P238 C239 L243 L244 E245 L431A237-T241 WeakPolarHBondContact O-CB 3.21Å; A237-T241 PolarHBondContact O-N 3.14Å; A237-T241 PolarHBondContact O-OG1 3.17Å; P238-T241 PolarHBondContact O-N 3.27Å; C239-T241 VanDerWaalsContact C-N 3.32Å; C239-T241 PolarHBondContact O-N 3.36Å; T241-L243 PolarHBondContact O-N 3.12Å; T241-L244 PolarHBondContact O-N 2.89Å; T241-E245 HydrophobicContact CG2-CG 4.37Å; T241-E245 WeakPolarHBondContact O-CG 3.14Å; T241-E245 PolarHBondContact O-N 2.88Å; T241-L431 HydrophobicContact CG2-CD2 3.37Å
242A94.6Very high92.2Very high2 Ų250.6 Ų50.62%0.01725%0.246CC..Hα-helixtrans-64.5-39.3-179.100000112.4P238 C239 E245 S246 V373 V375P238-A242 VanDerWaalsContact O-CB 3.3Å; P238-A242 WeakPolarHBondContact O-CB 3.29Å; P238-A242 PolarHBondContact O-N 2.75Å; C239-A242 PolarHBondContact O-N 2.82Å; A242-E245 PolarHBondContact O-N 3.46Å; A242-S246 PolarHBondContact O-N 3.32Å; A242-V373 HydrophobicContact CB-CG1 3.86Å; A242-V375 HydrophobicContact CB-CG2 4.2Å
243L94.1Very high91.8Very high0 Ų050 Ų500%024%0.235CC..Hα-helixtrans-62-46173.7-71.5173.2000111.3C239 Y240 T241 S246 M247 L257 L262 L366 L369 L370C239-L243 WeakPolarHBondContact O-CG 3.48Å; C239-L243 PolarHBondContact O-N 3.18Å; Y240-L243 PolarHBondContact O-N 3.44Å; T241-L243 PolarHBondContact O-N 3.12Å; L243-S246 PolarHBondContact O-N 2.88Å; L243-S246 PolarHBondContact O-OG 2.76Å; L243-M247 WeakPolarHBondContact O-CG 3.44Å; L243-M247 PolarHBondContact O-N 2.93Å; L243-M247 VanDerWaalsContact O-N 3.08Å; L243-L257 HydrophobicContact CD2-CD1 4.29Å; L243-L262 HydrophobicContact CB-CD1 4.14Å; L243-L262 HydrophobicContact CD1-CD2 3.85Å; L243-L366 HydrophobicContact CD1-CD1 3.92Å; L243-L369 HydrophobicContact CD1-CB 4.2Å; L243-L369 HydrophobicContact CD2-CB 3.98Å; L243-L369 WeakPolarHBondContact CD2-O 3.19Å; L243-L370 HydrophobicContact CD1-CD2 4.31Å; L243-L370 HydrophobicContact CD2-CD2 3.79Å; L243-L370 HydrophobicContact CD2-CG 4.31Å; L243-L370 HydrophobicContact CG-CD2 3.71Å; L243-L370 HydrophobicContact CG-CG 4.4Å
244L93.5Very high91.4Very high5 Ų555.3 Ų55.33%0.02626%0.256CS..Hα-helixtrans-65-38.8177.6-70.9168.1000112.4Y240 T241 M247 H248 L262 K263 L266 L429Y240-L244 WeakPolarHBondContact O-CB 3.31Å; Y240-L244 VanDerWaalsContact O-CG 3.27Å; Y240-L244 WeakPolarHBondContact O-CG 3.36Å; Y240-L244 PolarHBondContact O-N 3.09Å; T241-L244 PolarHBondContact O-N 2.89Å; L244-M247 HydrophobicContact CD2-SD 4.02Å; L244-M247 WeakPolarHBondContact O-CB 3.45Å; L244-M247 PolarHBondContact O-N 3.07Å; L244-H248 PolarHBondContact O-CD2 2.85Å; L244-H248 VanDerWaalsContact O-CD2 3.32Å; L244-H248 PolarHBondContact O-N 3.01Å; L244-L262 HydrophobicContact CD2-CB 3.83Å; L244-L262 HydrophobicContact CG-CB 4.16Å; L244-K263 HydrophobicContact CD1-CG 4.15Å; L244-K263 HydrophobicContact CD2-CG 3.64Å; L244-L266 HydrophobicContact CD1-CB 4.27Å; L244-L266 HydrophobicContact CD1-CD2 3.67Å; L244-L429 HydrophobicContact CB-CD2 3.65Å; L244-L429 HydrophobicContact CD1-CD2 3.91Å; L244-L429 HydrophobicContact CD2-CD2 4.43Å; L244-L429 HydrophobicContact CG-CD2 4.21Å
245E92.1Very high91Very high53 Ų5357.5 Ų57.525%0.24827%0.268CS..Hα-helixtrans-60-45.5172.3-73.3173.6140.400110.7T241 A242 M247 H248 E249 R381 L431T241-E245 HydrophobicContact CG2-CG 4.37Å; T241-E245 WeakPolarHBondContact O-CG 3.14Å; T241-E245 PolarHBondContact O-N 2.88Å; A242-E245 PolarHBondContact O-N 3.46Å; E245-M247 VanDerWaalsContact C-N 3.28Å; E245-M247 PolarHBondContact O-N 3.29Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 3.02Å; E245-E249 PolarHBondContact O-N 2.95Å; E245-R381 IonicContact OE1-NE 3.91Å; E245-R381 IonicContact OE2-CZ 3.43Å; E245-R381 IonicContact OE2-NE 3.78Å; E245-R381 PolarHBondContact OE2-NE 2.88Å; E245-R381 IonicContact OE2-NH2 3.21Å; E245-R381 PolarHBondContact OE2-NH2 3.22Å; E245-L431 HydrophobicContact CG-CD2 4.48Å; E245-L431 WeakPolarHBondContact OE1-CD2 3.48Å
246S91.6Very high90.6Very high12 Ų1258.4 Ų58.48%0.08427%0.266CS..Hα-helixtrans-62-32.4177.881.80000113.5A242 L243 H248 E249 D250A242-S246 PolarHBondContact O-N 3.32Å; L243-S246 PolarHBondContact O-N 2.88Å; L243-S246 PolarHBondContact O-OG 2.76Å; S246-H248 VanDerWaalsContact C-N 3.3Å; S246-H248 PolarHBondContact O-N 3.36Å; S246-E249 PolarHBondContact O-N 3.35Å; S246-D250 PolarHBondContact O-N 3.25Å
247M89.9Confident90.2Very high24 Ų2457.1 Ų57.112%0.11826%0.259CS..Hα-helixtrans-67.9-30.7174.7-67.71737000112.5L243 L244 E245 Y254 L257 L262L243-M247 WeakPolarHBondContact O-CG 3.44Å; L243-M247 PolarHBondContact O-N 2.93Å; L243-M247 VanDerWaalsContact O-N 3.08Å; L244-M247 HydrophobicContact CD2-SD 4.02Å; L244-M247 WeakPolarHBondContact O-CB 3.45Å; L244-M247 PolarHBondContact O-N 3.07Å; E245-M247 VanDerWaalsContact C-N 3.28Å; E245-M247 PolarHBondContact O-N 3.29Å; M247-Y254 HydrophobicContact CB-CD2 4.42Å; M247-Y254 HydrophobicContact CE-CD2 3.86Å; M247-Y254 HydrophobicContact CE-CE2 4.29Å; M247-L257 HydrophobicContact CE-CB 3.91Å; M247-L257 HydrophobicContact CG-CB 3.75Å; M247-L257 HydrophobicContact CG-CD1 3.58Å; M247-L257 HydrophobicContact CG-CG 4.27Å; M247-L257 HydrophobicContact SD-CB 3.52Å; M247-L257 VanDerWaalsContact SD-CB 3.52Å; M247-L257 HydrophobicContact SD-CD1 4.14Å; M247-L257 HydrophobicContact SD-CG 4.49Å; M247-L262 HydrophobicContact SD-CD1 3.93Å
248H85.2Confident89.7Confident100 Ų10060 Ų6046%0.46328%0.279SS..Hα-helixtrans-78.1-26176.9-84.8-77.1000112.5L244 E245 S246L244-H248 PolarHBondContact O-CD2 2.85Å; L244-H248 VanDerWaalsContact O-CD2 3.32Å; L244-H248 PolarHBondContact O-N 3.01Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 3.02Å; S246-H248 VanDerWaalsContact C-N 3.3Å; S246-H248 PolarHBondContact O-N 3.36Å
249E86.9Confident89.1Confident172 Ų17263.8 Ų63.880%0.80431%0.306SS*.Hα-helixtrans-87.2-37.4179.9-66.8179.5176.800112.9E245 S246E245-E249 PolarHBondContact O-N 2.95Å; S246-E249 PolarHBondContact O-N 3.35Å
250D87.5Confident88.6Confident69 Ų6966.7 Ų66.737%0.36932%0.317SS..  trans-125120-176.9-176.72.8000112.8S246 R252 R253 Y254S246-D250 PolarHBondContact O-N 3.25Å; D250-R252 VanDerWaalsContact C-N 3.26Å; D250-R252 PolarHBondContact O-N 2.9Å; D250-R252 WeakPolarHBondContact OD1-CB 3.27Å; D250-R252 PolarHBondContact OD1-N 3.38Å; D250-R253 HydrophobicContact CB-CB 4.13Å; D250-R253 HydrophobicContact CB-CG 4.01Å; D250-R253 WeakPolarHBondContact O-CB 3.38Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-Y254 PolarHBondContact O-N 3.34Å
251H86.8Confident88.4Confident134 Ų13471 Ų7162%0.6234%0.336SS*.Hα-helixtrans-63.2-27.8177.5-167.864.8000113.5Y254 M255H251-Y254 WeakPolarHBondContact O-CB 3.36Å; H251-Y254 PolarHBondContact O-N 3.15Å; H251-M255 WeakPolarHBondContact O-CG 3.17Å; H251-M255 PolarHBondContact O-N 2.95Å
252R85.9Confident88.3Confident206 Ų20671 Ų7178%0.77734%0.336SS*.Hα-helixtrans-68.1-44.4175.3-61.5-175.7-168.8-172.65.2111D250 Y254 M255 Q256D250-R252 VanDerWaalsContact C-N 3.26Å; D250-R252 PolarHBondContact O-N 2.9Å; D250-R252 WeakPolarHBondContact OD1-CB 3.27Å; D250-R252 PolarHBondContact OD1-N 3.38Å; R252-Y254 VanDerWaalsContact C-N 3.31Å; R252-Y254 PolarHBondContact O-N 3.39Å; R252-M255 PolarHBondContact O-N 2.77Å; R252-Q256 PolarHBondContact O-N 3.28Å; R252-Q256 VanDerWaalsContact O-N 3.08Å
253R86.1Confident88.2Confident54 Ų5473.8 Ų73.820%0.20435%0.347CS..Hα-helixtrans-60.7-41.9173.2-72.1-76.1-170.9161.71.7110.6D250 M255 Q256 L257 L369 E371D250-R253 HydrophobicContact CB-CB 4.13Å; D250-R253 HydrophobicContact CB-CG 4.01Å; D250-R253 WeakPolarHBondContact O-CB 3.38Å; D250-R253 PolarHBondContact O-N 2.99Å; R253-M255 PolarHBondContact O-N 3.38Å; R253-Q256 PolarHBondContact O-N 3.44Å; R253-L257 HydrophobicContact CB-CD1 4.44Å; R253-L257 VanDerWaalsContact O-CB 3.27Å; R253-L257 WeakPolarHBondContact O-CB 3.16Å; R253-L257 WeakPolarHBondContact O-CG 3.23Å; R253-L257 PolarHBondContact O-N 3.25Å; R253-L369 PolarHBondContact NH1-O 3.38Å; R253-E371 PolarHBondContact NH2-O 3.17Å
254Y87.2Confident88.2Confident113 Ų11375.2 Ų75.244%0.44335%0.354SS..Hα-helixtrans-55.3-51.3173.6179.5-95.1000112.2M247 D250 H251 R252 Q256 L257 S258M247-Y254 HydrophobicContact CB-CD2 4.42Å; M247-Y254 HydrophobicContact CE-CD2 3.86Å; M247-Y254 HydrophobicContact CE-CE2 4.29Å; D250-Y254 PolarHBondContact O-N 3.34Å; H251-Y254 WeakPolarHBondContact O-CB 3.36Å; H251-Y254 PolarHBondContact O-N 3.15Å; R252-Y254 VanDerWaalsContact C-N 3.31Å; R252-Y254 PolarHBondContact O-N 3.39Å; Y254-Q256 VanDerWaalsContact C-N 3.32Å; Y254-Q256 PolarHBondContact O-N 3.32Å; Y254-L257 PolarHBondContact O-N 3.08Å; Y254-S258 WeakPolarHBondContact O-CA 3.3Å; Y254-S258 WeakPolarHBondContact O-CB 3.47Å; Y254-S258 PolarHBondContact O-N 2.71Å; Y254-S258 PolarHBondContact O-OG 3.16Å
255M85Confident88.3Confident119 Ų11975 Ų7559%0.58635%0.353SS*.Hα-helixtrans-62.1-39.1-179.5-69-62-70.100112.4H251 R252 R253 S258H251-M255 WeakPolarHBondContact O-CG 3.17Å; H251-M255 PolarHBondContact O-N 2.95Å; R252-M255 PolarHBondContact O-N 2.77Å; R253-M255 PolarHBondContact O-N 3.38Å; M255-S258 PolarHBondContact O-OG 2.87Å
256Q85.6Confident88.5Confident113 Ų11372.5 Ų72.553%0.52834%0.341SS..Hα-helixtrans-68.6-40.6177.8-176179.8200112.8R252 R253 Y254 F260R252-Q256 PolarHBondContact O-N 3.28Å; R252-Q256 VanDerWaalsContact O-N 3.08Å; R253-Q256 PolarHBondContact O-N 3.44Å; Y254-Q256 VanDerWaalsContact C-N 3.32Å; Y254-Q256 PolarHBondContact O-N 3.32Å; Q256-F260 WeakPolarHBondContact O-CE2 3.3Å
257L86.6Confident88.6Confident0 Ų072 Ų720%034%0.337CS..Hα-helixtrans-96.2-14.3-170.4-63.1174.2000113.7L243 M247 R253 Y254 S259 F260 L262 L369L243-L257 HydrophobicContact CD2-CD1 4.29Å; M247-L257 HydrophobicContact CE-CB 3.91Å; M247-L257 HydrophobicContact CG-CB 3.75Å; M247-L257 HydrophobicContact CG-CD1 3.58Å; M247-L257 HydrophobicContact CG-CG 4.27Å; M247-L257 HydrophobicContact SD-CB 3.52Å; M247-L257 VanDerWaalsContact SD-CB 3.52Å; M247-L257 HydrophobicContact SD-CD1 4.14Å; M247-L257 HydrophobicContact SD-CG 4.49Å; R253-L257 HydrophobicContact CB-CD1 4.44Å; R253-L257 VanDerWaalsContact O-CB 3.27Å; R253-L257 WeakPolarHBondContact O-CB 3.16Å; R253-L257 WeakPolarHBondContact O-CG 3.23Å; R253-L257 PolarHBondContact O-N 3.25Å; Y254-L257 PolarHBondContact O-N 3.08Å; L257-S259 PolarHBondContact O-N 2.97Å; L257-S259 VanDerWaalsContact O-N 3.17Å; L257-F260 HydrophobicContact CD2-CD2 4.32Å; L257-F260 WeakPolarHBondContact O-CB 3.36Å; L257-F260 PolarHBondContact O-N 2.52Å; L257-L262 HydrophobicContact CB-CD1 4.06Å; L257-L262 HydrophobicContact CD2-CD1 4.41Å; L257-L369 HydrophobicContact CD2-CD1 4.47Å; L257-L369 HydrophobicContact CD2-CD2 3.82Å
258S84.8Confident89Confident59 Ų5970.8 Ų70.841%0.41333%0.332SS..THydrogen-bonded Turntrans-61.2-24.4-175.659.70000115Y254 M255 F260Y254-S258 WeakPolarHBondContact O-CA 3.3Å; Y254-S258 WeakPolarHBondContact O-CB 3.47Å; Y254-S258 PolarHBondContact O-N 2.71Å; Y254-S258 PolarHBondContact O-OG 3.16Å; M255-S258 PolarHBondContact O-OG 2.87Å; S258-F260 VanDerWaalsContact C-N 3.31Å
259S83.2Confident89.5Confident88 Ų8866.1 Ų66.162%0.61531%0.31SS*.THydrogen-bonded Turntrans-75.2-21.9174.854.10000112.8L257L257-S259 PolarHBondContact O-N 2.97Å; L257-S259 VanDerWaalsContact O-N 3.17Å
260F83.4Confident89.9Confident76 Ų7658 Ų5833%0.33327%0.272SS..SBendtrans-83.7139.4-177.9-63.5-91.4000110.8Q256 L257 S258 L262 F361Q256-F260 WeakPolarHBondContact O-CE2 3.3Å; L257-F260 HydrophobicContact CD2-CD2 4.32Å; L257-F260 WeakPolarHBondContact O-CB 3.36Å; L257-F260 PolarHBondContact O-N 2.52Å; S258-F260 VanDerWaalsContact C-N 3.31Å; F260-L262 HydrophobicContact CB-CD1 4.27Å; F260-L262 HydrophobicContact CB-CG 3.92Å; F260-L262 PolarHBondContact O-N 3.18Å; F260-F361 HydrophobicContact CB-CE1 4.13Å; F260-F361 HydrophobicContact CB-CZ 4.13Å; F260-F361 AromaticContact CD1-CE1 3.85Å; F260-F361 HydrophobicContact CD1-CE1 3.85Å; F260-F361 HydrophobicContact CD1-CZ 4.41Å; F260-F361 HydrophobicContact CG-CE1 4.35Å
261K91.6Very high90.3Very high90 Ų9054.9 Ų54.939%0.39126%0.255SS..  trans-79.747.8179.5-58.3-56.9-172.9178.70112.5K263 E264 A265K261-K263 PolarHBondContact O-N 3.23Å; K261-E264 VanDerWaalsContact C-OE2 3.29Å; K261-E264 VanDerWaalsContact CA-OE2 3.31Å; K261-E264 WeakPolarHBondContact CA-OE2 3.25Å; K261-E264 HydrophobicContact CB-CB 4.29Å; K261-E264 PolarHBondContact O-N 2.93Å; K261-A265 WeakPolarHBondContact O-CB 3.22Å; K261-A265 PolarHBondContact O-N 2.94Å
262L92.9Very high90.8Very high2 Ų248.6 Ų48.61%0.0123%0.226CC..Hα-helixtrans-66-35.3-172.8-72.8168.5000112.7Y240 L243 L244 M247 L257 F260 L266 F361Y240-L262 HydrophobicContact CD1-CD2 3.81Å; Y240-L262 HydrophobicContact CE1-CD2 4.28Å; L243-L262 HydrophobicContact CB-CD1 4.14Å; L243-L262 HydrophobicContact CD1-CD2 3.85Å; L244-L262 HydrophobicContact CD2-CB 3.83Å; L244-L262 HydrophobicContact CG-CB 4.16Å; M247-L262 HydrophobicContact SD-CD1 3.93Å; L257-L262 HydrophobicContact CB-CD1 4.06Å; L257-L262 HydrophobicContact CD2-CD1 4.41Å; F260-L262 HydrophobicContact CB-CD1 4.27Å; F260-L262 HydrophobicContact CB-CG 3.92Å; F260-L262 PolarHBondContact O-N 3.18Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 PolarHBondContact O-N 3.23Å; L262-F361 HydrophobicContact CD2-CD1 4.33Å; L262-F361 HydrophobicContact CD2-CE1 3.58Å; L262-F361 HydrophobicContact CD2-CE2 4.5Å; L262-F361 HydrophobicContact CD2-CZ 3.67Å; L262-F361 HydrophobicContact CG-CE1 4.31Å; L262-F361 HydrophobicContact CG-CZ 4.16Å
263K93Very high91.3Very high60 Ų6040 Ų4026%0.26120%0.195SC..Hα-helixtrans-67.4-47.3177-69.2-168.7176.6-163.20110.7L244 K261 A265 L266 F267 K427L244-K263 HydrophobicContact CD1-CG 4.15Å; L244-K263 HydrophobicContact CD2-CG 3.64Å; K261-K263 PolarHBondContact O-N 3.23Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-A265 PolarHBondContact O-N 2.9Å; K263-L266 PolarHBondContact O-N 2.87Å; K263-F267 HydrophobicContact CB-CE2 4.27Å; K263-F267 HydrophobicContact CB-CZ 4.14Å; K263-F267 VanDerWaalsContact O-CD1 3.31Å; K263-F267 WeakPolarHBondContact O-CD1 3.35Å; K263-F267 WeakPolarHBondContact O-CD2 3.4Å; K263-F267 WeakPolarHBondContact O-CG 3.5Å; K263-F267 PolarHBondContact O-N 3.27Å; K263-K427 PolarHBondContact NZ-O 3.13Å
264E94.3Very high91.7Very high31 Ų3138.3 Ų38.315%0.14519%0.192CC..Hα-helixtrans-63.1-40178.6-61.286.716200111.1P76 K261 F267 N268P76-E264 HydrophobicContact CB-CB 4.28Å; K261-E264 VanDerWaalsContact C-OE2 3.29Å; K261-E264 VanDerWaalsContact CA-OE2 3.31Å; K261-E264 WeakPolarHBondContact CA-OE2 3.25Å; K261-E264 HydrophobicContact CB-CB 4.29Å; K261-E264 PolarHBondContact O-N 2.93Å; E264-F267 PolarHBondContact O-N 3.05Å; E264-N268 WeakPolarHBondContact O-CB 3.47Å; E264-N268 PolarHBondContact O-N 3.41Å
265A95.1Very high92.1Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-64.8-41.6173.400000112.6P76 Y240 K261 K263 N268 V269 Q357 F361P76-A265 HydrophobicContact CG-CB 4.37Å; Y240-A265 HydrophobicContact CD2-CB 4.32Å; Y240-A265 HydrophobicContact CE1-CB 4.27Å; Y240-A265 HydrophobicContact CE2-CB 3.98Å; K261-A265 WeakPolarHBondContact O-CB 3.22Å; K261-A265 PolarHBondContact O-N 2.94Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-A265 PolarHBondContact O-N 2.9Å; A265-N268 WeakPolarHBondContact O-CB 3.39Å; A265-N268 PolarHBondContact O-N 3.03Å; A265-V269 PolarHBondContact O-N 3.46Å; A265-V269 VanDerWaalsContact O-N 3.08Å; A265-Q357 HydrophobicContact CB-CB 4.27Å; A265-F361 HydrophobicContact CB-CD2 4.13Å; A265-F361 HydrophobicContact CB-CE2 3.7Å
266L95.2Very high92.6Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-61.7-46.2173.7177.961.6000111.3A237 L244 L262 K263 N268 V269 R270 I430A237-L266 HydrophobicContact CB-CD1 4.09Å; L244-L266 HydrophobicContact CD1-CB 4.27Å; L244-L266 HydrophobicContact CD1-CD2 3.67Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 PolarHBondContact O-N 3.23Å; K263-L266 PolarHBondContact O-N 2.87Å; L266-N268 VanDerWaalsContact C-N 3.29Å; L266-N268 PolarHBondContact O-N 3.1Å; L266-V269 PolarHBondContact O-N 2.99Å; L266-R270 HydrophobicContact CD1-CG 3.84Å; L266-R270 HydrophobicContact CG-CG 4.25Å; L266-R270 WeakPolarHBondContact O-CB 3.23Å; L266-R270 VanDerWaalsContact O-CG 3.26Å; L266-R270 WeakPolarHBondContact O-CG 3.4Å; L266-R270 PolarHBondContact O-N 3.25Å; L266-I430 HydrophobicContact CD2-CB 4.34Å
267F95.5Very high93.1Very high1 Ų125 Ų250%0.00414%0.139CC..Hα-helixtrans-61.5-39.7178.8-58.7-18.7000111.7K263 E264 R270 Q271 I430 H476 E478 L479K263-F267 HydrophobicContact CB-CE2 4.27Å; K263-F267 HydrophobicContact CB-CZ 4.14Å; K263-F267 VanDerWaalsContact O-CD1 3.31Å; K263-F267 WeakPolarHBondContact O-CD1 3.35Å; K263-F267 WeakPolarHBondContact O-CD2 3.4Å; K263-F267 WeakPolarHBondContact O-CG 3.5Å; K263-F267 PolarHBondContact O-N 3.27Å; E264-F267 PolarHBondContact O-N 3.05Å; F267-R270 PolarHBondContact O-N 3.49Å; F267-Q271 VanDerWaalsContact O-CB 3.25Å; F267-Q271 WeakPolarHBondContact O-CB 3.34Å; F267-Q271 PolarHBondContact O-N 3.27Å; F267-I430 HydrophobicContact CD1-CG1 3.82Å; F267-I430 HydrophobicContact CE1-CD1 4.29Å; F267-I430 HydrophobicContact CE1-CG1 3.7Å; F267-H476 HydrophobicContact CE2-CB 3.92Å; F267-H476 AromaticContact CE2-CG 3.84Å; F267-H476 AromaticContact CE2-ND1 3.93Å; F267-E478 HydrophobicContact CB-CB 3.94Å; F267-E478 HydrophobicContact CD2-CB 4Å; F267-E478 HydrophobicContact CD2-CG 4.45Å; F267-E478 HydrophobicContact CG-CB 4.37Å; F267-L479 HydrophobicContact CD1-CD2 3.7Å; F267-L479 HydrophobicContact CD2-CD2 4.13Å; F267-L479 HydrophobicContact CD2-CG 4.35Å; F267-L479 HydrophobicContact CE1-CD2 3.72Å; F267-L479 HydrophobicContact CE1-CG 4.49Å; F267-L479 HydrophobicContact CE2-CD1 4.33Å; F267-L479 HydrophobicContact CE2-CD2 4.12Å; F267-L479 HydrophobicContact CE2-CG 4.12Å; F267-L479 HydrophobicContact CG-CD2 3.93Å; F267-L479 HydrophobicContact CZ-CD1 4.1Å; F267-L479 HydrophobicContact CZ-CD2 3.92Å; F267-L479 HydrophobicContact CZ-CG 4.2Å
268N96.6Very high93.4Very high0 Ų027.1 Ų27.10%015%0.15CC..Hα-helixtrans-59.2-53.4175.8-177.5-110.3000111.9P76 T80 M83 E264 A265 L266 R270 Q271 Y272 F353 L354 Q357P76-N268 HydrophobicContact CB-CB 4.25Å; T80-N268 WeakPolarHBondContact OG1-CA 3.36Å; T80-N268 WeakPolarHBondContact OG1-CB 3.33Å; T80-N268 PolarHBondContact OG1-ND2 3.18Å; T80-N268 VanDerWaalsContact OG1-ND2 3.09Å; M83-N268 WeakPolarHBondContact CE-O 3.39Å; E264-N268 WeakPolarHBondContact O-CB 3.47Å; E264-N268 PolarHBondContact O-N 3.41Å; A265-N268 WeakPolarHBondContact O-CB 3.39Å; A265-N268 PolarHBondContact O-N 3.03Å; L266-N268 VanDerWaalsContact C-N 3.29Å; L266-N268 PolarHBondContact O-N 3.1Å; N268-R270 PolarHBondContact O-N 2.65Å; N268-Q271 PolarHBondContact O-N 3.42Å; N268-Y272 PolarHBondContact O-N 3.01Å; N268-F353 PolarHBondContact ND2-O 3.22Å; N268-F353 PolarHBondContact OD1-O 2.94Å; N268-L354 WeakPolarHBondContact OD1-CD2 3.15Å; N268-Q357 WeakPolarHBondContact OD1-CG 3.47Å
269V96.4Very high93.9Very high1 Ų124.3 Ų24.31%0.00613%0.13CC..Hα-helixtrans-63.9-41.8-179.8176.30000111.4C233 L236 A237 Y240 A265 L266 Y272 E273C233-V269 HydrophobicContact CB-CG1 3.84Å; L236-V269 HydrophobicContact CB-CG1 4.24Å; L236-V269 HydrophobicContact CB-CG2 4.25Å; L236-V269 HydrophobicContact CD1-CG2 4.33Å; A237-V269 HydrophobicContact CB-CG1 3.96Å; Y240-V269 HydrophobicContact CD2-CG2 4.37Å; Y240-V269 HydrophobicContact CE2-CG2 3.9Å; A265-V269 PolarHBondContact O-N 3.46Å; A265-V269 VanDerWaalsContact O-N 3.08Å; L266-V269 PolarHBondContact O-N 2.99Å; V269-Y272 PolarHBondContact O-N 3.45Å; V269-E273 WeakPolarHBondContact O-CB 3.35Å; V269-E273 PolarHBondContact O-N 3.04Å
270R95.9Very high94.5Very high3 Ų321.4 Ų21.41%0.01111%0.107CC..Hα-helixtrans-66.4-37.1178.1-69.3-58-168.1179.21.8113.2L266 F267 N268 E273 A274 D378 I430 L482L266-R270 HydrophobicContact CD1-CG 3.84Å; L266-R270 HydrophobicContact CG-CG 4.25Å; L266-R270 WeakPolarHBondContact O-CB 3.23Å; L266-R270 VanDerWaalsContact O-CG 3.26Å; L266-R270 WeakPolarHBondContact O-CG 3.4Å; L266-R270 PolarHBondContact O-N 3.25Å; F267-R270 PolarHBondContact O-N 3.49Å; N268-R270 PolarHBondContact O-N 2.65Å; R270-E273 WeakPolarHBondContact CD-OE2 3.49Å; R270-E273 IonicContact CZ-OE2 3.3Å; R270-E273 IonicContact NE-OE2 3.76Å; R270-E273 IonicContact NH1-OE1 3.37Å; R270-E273 IonicContact NH1-OE2 2.91Å; R270-E273 PolarHBondContact NH1-OE2 2.89Å; R270-A274 WeakPolarHBondContact O-CB 3.38Å; R270-A274 PolarHBondContact O-N 3.1Å; R270-D378 IonicContact CZ-OD2 3.66Å; R270-D378 IonicContact NH1-OD2 2.77Å; R270-D378 PolarHBondContact NH1-OD2 3.08Å; R270-D378 IonicContact NH2-OD1 2.76Å; R270-D378 PolarHBondContact NH2-OD1 3.32Å; R270-D378 IonicContact NH2-OD2 3.69Å; R270-D378 PolarHBondContact NH2-OD2 3.13Å; R270-I430 HydrophobicContact CG-CG2 4.2Å; R270-L482 HydrophobicContact CB-CD1 4.12Å; R270-L482 HydrophobicContact CB-CD2 3.84Å
271Q95.7Very high95Very high2 Ų221 Ų211%0.00911%0.114CC..Hα-helixtrans-68.3-39.4175.5-176.963.680.500111.7T80 M83 Q84 F267 N268 A274 F275 L482T80-Q271 HydrophobicContact CG2-CB 3.87Å; T80-Q271 HydrophobicContact CG2-CG 4.06Å; M83-Q271 HydrophobicContact CE-CB 3.72Å; M83-Q271 HydrophobicContact CE-CG 3.67Å; Q84-Q271 HydrophobicContact CG-CG 3.88Å; F267-Q271 VanDerWaalsContact O-CB 3.25Å; F267-Q271 WeakPolarHBondContact O-CB 3.34Å; F267-Q271 PolarHBondContact O-N 3.27Å; N268-Q271 PolarHBondContact O-N 3.42Å; Q271-A274 PolarHBondContact O-N 3.23Å; Q271-F275 HydrophobicContact CG-CD2 4.18Å; Q271-F275 HydrophobicContact CG-CE2 3.68Å; Q271-F275 HydrophobicContact CG-CZ 4.11Å; Q271-F275 VanDerWaalsContact NE2-CE1 3.28Å; Q271-F275 WeakPolarHBondContact O-CD2 3.47Å; Q271-F275 WeakPolarHBondContact O-CG 3.41Å; Q271-F275 PolarHBondContact O-N 3.44Å; Q271-F275 VanDerWaalsContact O-N 3.14Å; Q271-L482 VanDerWaalsContact OE1-CA 3.27Å
272Y97.2Very high95.1Very high2 Ų218.1 Ų18.11%0.00810%0.103CC..Hα-helixtrans-63.6-48174.8-179.9-122.4000111M83 A229 C233 N268 V269 A274 F275 L276 L350 L354M83-Y272 HydrophobicContact SD-CD2 3.86Å; M83-Y272 HydrophobicContact SD-CG 4.28Å; A229-Y272 HydrophobicContact CB-CE1 4.36Å; C233-Y272 WeakPolarHBondContact SG-CD1 3.36Å; N268-Y272 PolarHBondContact O-N 3.01Å; V269-Y272 PolarHBondContact O-N 3.45Å; Y272-A274 VanDerWaalsContact C-N 3.34Å; Y272-A274 PolarHBondContact O-N 3.24Å; Y272-F275 PolarHBondContact O-N 3.1Å; Y272-F275 VanDerWaalsContact O-N 3.14Å; Y272-L276 HydrophobicContact CD1-CD1 3.83Å; Y272-L276 HydrophobicContact CD1-CG 4.4Å; Y272-L276 HydrophobicContact CD2-CG 4.24Å; Y272-L276 HydrophobicContact CE1-CD1 3.44Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.44Å; Y272-L276 HydrophobicContact CE1-CD2 4.49Å; Y272-L276 HydrophobicContact CE1-CG 4.14Å; Y272-L276 HydrophobicContact CE2-CD1 4.16Å; Y272-L276 HydrophobicContact CE2-CD2 3.85Å; Y272-L276 HydrophobicContact CE2-CG 3.95Å; Y272-L276 HydrophobicContact CG-CD1 4.36Å; Y272-L276 HydrophobicContact CG-CG 4.46Å; Y272-L276 WeakPolarHBondContact O-CG 3.49Å; Y272-L276 PolarHBondContact O-N 2.89Å; Y272-L350 HydrophobicContact CD2-CB 3.92Å; Y272-L350 HydrophobicContact CE2-CB 3.56Å; Y272-L354 HydrophobicContact CD1-CD1 3.54Å; Y272-L354 HydrophobicContact CD1-CD2 3.98Å; Y272-L354 HydrophobicContact CD1-CG 4.04Å; Y272-L354 HydrophobicContact CE1-CD1 3.46Å; Y272-L354 VanDerWaalsContact CE1-CD1 3.46Å; Y272-L354 HydrophobicContact CE1-CG 4.27Å; Y272-L354 HydrophobicContact CG-CD1 4.28Å; Y272-L354 HydrophobicContact CG-CD2 4.07Å; Y272-L354 HydrophobicContact CG-CG 4.3Å
273E96.1Very high95.2Very high27 Ų2718 Ų1813%0.12610%0.102CC..Hα-helixtrans-51.9-49.6173.4-176.4-173-179.100111.7L230 C233 H234 V269 R270 F275 L276 C277L230-E273 HydrophobicContact CD2-CG 4.13Å; C233-E273 HydrophobicContact CB-CB 3.94Å; C233-E273 HydrophobicContact CB-CG 4.18Å; H234-E273 IonicContact CD2-OE1 2.85Å; H234-E273 IonicContact NE2-OE1 3.81Å; V269-E273 WeakPolarHBondContact O-CB 3.35Å; V269-E273 PolarHBondContact O-N 3.04Å; R270-E273 WeakPolarHBondContact CD-OE2 3.49Å; R270-E273 IonicContact CZ-OE2 3.3Å; R270-E273 IonicContact NE-OE2 3.76Å; R270-E273 IonicContact NH1-OE1 3.37Å; R270-E273 IonicContact NH1-OE2 2.91Å; R270-E273 PolarHBondContact NH1-OE2 2.89Å; E273-F275 VanDerWaalsContact C-N 3.33Å; E273-F275 PolarHBondContact O-N 3.42Å; E273-L276 PolarHBondContact O-N 3.27Å; E273-C277 PolarHBondContact O-N 2.86Å; E273-C277 PolarHBondContact O-SG 2.82Å; E273-C277 VanDerWaalsContact O-SG 3.39Å
274A94.4Very high95.3Very high18 Ų1817.9 Ų17.915%0.14910%0.104CC..Hα-helixtrans-58.9-42.4178.700000112.5R270 Q271 Y272 C277 I278 L482R270-A274 WeakPolarHBondContact O-CB 3.38Å; R270-A274 PolarHBondContact O-N 3.1Å; Q271-A274 PolarHBondContact O-N 3.23Å; Y272-A274 VanDerWaalsContact C-N 3.34Å; Y272-A274 PolarHBondContact O-N 3.24Å; A274-C277 PolarHBondContact O-N 2.77Å; A274-I278 WeakPolarHBondContact O-CG1 3.48Å; A274-I278 PolarHBondContact O-N 3.04Å; A274-L482 HydrophobicContact CB-CD1 4.3Å
275F95.3Very high95.3Very high4 Ų418.8 Ų18.82%0.01811%0.112CC..Hα-helixtrans-69.1-39.2176.5-68-32.6000112.9M83 Q84 F87 Q271 Y272 E273 C277 I278 L279 L350 Q481M83-F275 HydrophobicContact CG-CD2 3.93Å; M83-F275 HydrophobicContact CG-CE2 3.9Å; M83-F275 HydrophobicContact SD-CD2 4.24Å; Q84-F275 HydrophobicContact CG-CE2 4.44Å; Q84-F275 HydrophobicContact CG-CZ 4.3Å; F87-F275 HydrophobicContact CB-CD1 4.31Å; F87-F275 HydrophobicContact CB-CD2 4.08Å; F87-F275 HydrophobicContact CB-CE1 3.92Å; F87-F275 HydrophobicContact CB-CE2 3.66Å; F87-F275 HydrophobicContact CB-CG 4.39Å; F87-F275 HydrophobicContact CB-CZ 3.57Å; F87-F275 AromaticContact CD1-CD1 3.61Å; F87-F275 HydrophobicContact CD1-CD1 3.61Å; F87-F275 AromaticContact CD1-CE1 3.41Å; F87-F275 HydrophobicContact CD1-CE1 3.41Å; F87-F275 VanDerWaalsContact CD1-CE1 3.41Å; F87-F275 HydrophobicContact CD1-CG 4.33Å; F87-F275 AromaticContact CD1-CZ 3.97Å; F87-F275 HydrophobicContact CD1-CZ 3.97Å; F87-F275 HydrophobicContact CD2-CB 3.89Å; F87-F275 AromaticContact CD2-CD1 3.69Å; F87-F275 HydrophobicContact CD2-CD1 3.69Å; F87-F275 AromaticContact CD2-CD2 3.95Å; F87-F275 HydrophobicContact CD2-CD2 3.95Å; F87-F275 HydrophobicContact CD2-CE1 4.15Å; F87-F275 HydrophobicContact CD2-CE2 4.37Å; F87-F275 AromaticContact CD2-CG 3.58Å; F87-F275 HydrophobicContact CD2-CG 3.58Å; F87-F275 HydrophobicContact CD2-CZ 4.45Å; F87-F275 AromaticContact CE1-CD1 3.72Å; F87-F275 HydrophobicContact CE1-CD1 3.72Å; F87-F275 AromaticContact CE1-CE1 3.9Å; F87-F275 HydrophobicContact CE1-CE1 3.9Å; F87-F275 HydrophobicContact CE2-CB 3.76Å; F87-F275 AromaticContact CE2-CD1 3.81Å; F87-F275 HydrophobicContact CE2-CD1 3.81Å; F87-F275 AromaticContact CE2-CG 3.85Å; F87-F275 HydrophobicContact CE2-CG 3.85Å; F87-F275 AromaticContact CG-CD1 3.59Å; F87-F275 HydrophobicContact CG-CD1 3.59Å; F87-F275 HydrophobicContact CG-CD2 4.04Å; F87-F275 AromaticContact CG-CE1 3.55Å; F87-F275 HydrophobicContact CG-CE1 3.55Å; F87-F275 AromaticContact CG-CE2 4Å; F87-F275 HydrophobicContact CG-CE2 4Å; F87-F275 AromaticContact CG-CG 3.85Å; F87-F275 HydrophobicContact CG-CG 3.85Å; F87-F275 AromaticContact CG-CZ 3.75Å; F87-F275 HydrophobicContact CG-CZ 3.75Å; F87-F275 HydrophobicContact CZ-CB 4.4Å; F87-F275 AromaticContact CZ-CD1 3.82Å; F87-F275 HydrophobicContact CZ-CD1 3.82Å; F87-F275 HydrophobicContact CZ-CE1 4.44Å; F87-F275 HydrophobicContact CZ-CG 4.33Å; Q271-F275 HydrophobicContact CG-CD2 4.18Å; Q271-F275 HydrophobicContact CG-CE2 3.68Å; Q271-F275 HydrophobicContact CG-CZ 4.11Å; Q271-F275 VanDerWaalsContact NE2-CE1 3.28Å; Q271-F275 WeakPolarHBondContact O-CD2 3.47Å; Q271-F275 WeakPolarHBondContact O-CG 3.41Å; Q271-F275 PolarHBondContact O-N 3.44Å; Q271-F275 VanDerWaalsContact O-N 3.14Å; Y272-F275 PolarHBondContact O-N 3.1Å; Y272-F275 VanDerWaalsContact O-N 3.14Å; E273-F275 VanDerWaalsContact C-N 3.33Å; E273-F275 PolarHBondContact O-N 3.42Å; F275-C277 VanDerWaalsContact C-N 3.31Å; F275-C277 PolarHBondContact O-N 3.46Å; F275-I278 HydrophobicContact CD1-CD1 4.31Å; F275-I278 PolarHBondContact O-N 3.04Å; F275-L279 WeakPolarHBondContact O-CG 3.24Å; F275-L279 PolarHBondContact O-N 3.28Å; F275-L350 HydrophobicContact CB-CD1 3.96Å; F275-L350 HydrophobicContact CD2-CD2 4.19Å; F275-Q481 HydrophobicContact CE1-CG 4.19Å; F275-Q481 HydrophobicContact CZ-CG 4.03Å
276L96.7Very high95.2Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-61.3-40.3174.5-69178.5000111.7L226 A229 L230 Y272 E273 I278 L279 L280 T347L226-L276 HydrophobicContact CD2-CD2 3.64Å; A229-L276 HydrophobicContact CB-CD1 3.62Å; A229-L276 HydrophobicContact CB-CD2 4.2Å; L230-L276 HydrophobicContact CD2-CB 3.64Å; L230-L276 HydrophobicContact CD2-CD1 3.99Å; L230-L276 HydrophobicContact CG-CB 3.97Å; L230-L276 HydrophobicContact CG-CD1 4.04Å; Y272-L276 HydrophobicContact CD1-CD1 3.83Å; Y272-L276 HydrophobicContact CD1-CG 4.4Å; Y272-L276 HydrophobicContact CD2-CG 4.24Å; Y272-L276 HydrophobicContact CE1-CD1 3.44Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.44Å; Y272-L276 HydrophobicContact CE1-CD2 4.49Å; Y272-L276 HydrophobicContact CE1-CG 4.14Å; Y272-L276 HydrophobicContact CE2-CD1 4.16Å; Y272-L276 HydrophobicContact CE2-CD2 3.85Å; Y272-L276 HydrophobicContact CE2-CG 3.95Å; Y272-L276 HydrophobicContact CG-CD1 4.36Å; Y272-L276 HydrophobicContact CG-CG 4.46Å; Y272-L276 WeakPolarHBondContact O-CG 3.49Å; Y272-L276 PolarHBondContact O-N 2.89Å; E273-L276 PolarHBondContact O-N 3.27Å; L276-I278 VanDerWaalsContact C-N 3.33Å; L276-I278 PolarHBondContact O-N 3.09Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-L280 WeakPolarHBondContact O-CB 3.36Å; L276-L280 PolarHBondContact O-N 3.22Å; L276-T347 HydrophobicContact CD2-CG2 4.1Å
277C94.4Very high95.3Very high61 Ų6120.3 Ų20.341%0.41212%0.124SC..Hα-helixtrans-61.1-39.7175.5-73.80000112.5E273 A274 F275 S281E273-C277 PolarHBondContact O-N 2.86Å; E273-C277 PolarHBondContact O-SG 2.82Å; E273-C277 VanDerWaalsContact O-SG 3.39Å; A274-C277 PolarHBondContact O-N 2.77Å; F275-C277 VanDerWaalsContact C-N 3.31Å; F275-C277 PolarHBondContact O-N 3.46Å; C277-S281 WeakPolarHBondContact O-CB 3.36Å; C277-S281 PolarHBondContact O-N 2.87Å
278I93.1Very high95.3Very high45 Ų4528 Ų2823%0.23115%0.153CC..Hα-helixtrans-62.3-50174.1-65.6168.4000110.2F87 Y91 A274 F275 L276 L280 S281 D282F87-I278 HydrophobicContact CE1-CD1 4.31Å; F87-I278 HydrophobicContact CZ-CB 4.37Å; F87-I278 HydrophobicContact CZ-CD1 4.26Å; F87-I278 HydrophobicContact CZ-CG2 4.09Å; Y91-I278 HydrophobicContact CE1-CG2 4.33Å; Y91-I278 HydrophobicContact CE2-CG2 3.99Å; Y91-I278 WeakPolarHBondContact OH-CG2 3.33Å; A274-I278 WeakPolarHBondContact O-CG1 3.48Å; A274-I278 PolarHBondContact O-N 3.04Å; F275-I278 HydrophobicContact CD1-CD1 4.31Å; F275-I278 PolarHBondContact O-N 3.04Å; L276-I278 VanDerWaalsContact C-N 3.33Å; L276-I278 PolarHBondContact O-N 3.09Å; I278-L280 VanDerWaalsContact C-N 3.34Å; I278-L280 PolarHBondContact O-N 2.8Å; I278-S281 WeakPolarHBondContact O-CB 3.48Å; I278-S281 PolarHBondContact O-N 2.91Å; I278-D282 PolarHBondContact O-N 3.37Å; I278-D282 VanDerWaalsContact O-N 3.08Å
279L95.4Very high95.2Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-62.9-39.6180-63.4178000112.1F87 Y91 L226 F275 L276 D282 V283 L343 M346 L350F87-L279 HydrophobicContact CE2-CD2 4.28Å; F87-L279 HydrophobicContact CE2-CG 4.37Å; Y91-L279 HydrophobicContact CD2-CD2 4.19Å; Y91-L279 HydrophobicContact CE2-CD2 4.13Å; L226-L279 HydrophobicContact CD1-CB 4.49Å; L226-L279 HydrophobicContact CD2-CB 4.11Å; F275-L279 WeakPolarHBondContact O-CG 3.24Å; F275-L279 PolarHBondContact O-N 3.28Å; L276-L279 PolarHBondContact O-N 3.42Å; L279-D282 PolarHBondContact O-N 3.28Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.07Å; L279-L343 HydrophobicContact CD2-CD2 3.61Å; L279-M346 HydrophobicContact CD1-CB 4.06Å; L279-M346 HydrophobicContact CD2-CB 4.18Å; L279-L350 HydrophobicContact CD1-CD1 3.76Å
280L95.7Very high95.2Very high26 Ų2632.2 Ų32.214%0.13617%0.173CC..Hα-helixtrans-64.1-42.5176.7-178.463.8000111.6M223 L226 L230 L276 I278 D282 V283 I284M223-L280 HydrophobicContact CG-CD1 4.5Å; L226-L280 HydrophobicContact CB-CD1 4.23Å; L226-L280 HydrophobicContact CD1-CB 4.24Å; L226-L280 HydrophobicContact CD1-CD1 4.17Å; L230-L280 HydrophobicContact CD1-CD2 3.72Å; L276-L280 WeakPolarHBondContact O-CB 3.36Å; L276-L280 PolarHBondContact O-N 3.22Å; I278-L280 VanDerWaalsContact C-N 3.34Å; I278-L280 PolarHBondContact O-N 2.8Å; L280-D282 VanDerWaalsContact C-N 3.28Å; L280-D282 PolarHBondContact O-N 3.23Å; L280-V283 PolarHBondContact O-N 3.33Å; L280-I284 HydrophobicContact CD1-CD1 4.36Å; L280-I284 HydrophobicContact CD1-CG1 4.45Å; L280-I284 HydrophobicContact CG-CD1 3.98Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.39Å; L280-I284 PolarHBondContact O-N 3.12Å
281S93.9Very high95.3Very high67 Ų6738.5 Ų38.547%0.46920%0.202SC..Hα-helixtrans-58.7-41.2173.8-179.30000111.7C277 I278 I284 T285C277-S281 WeakPolarHBondContact O-CB 3.36Å; C277-S281 PolarHBondContact O-N 2.87Å; I278-S281 WeakPolarHBondContact O-CB 3.48Å; I278-S281 PolarHBondContact O-N 2.91Å; S281-I284 PolarHBondContact O-N 3.37Å; S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 PolarHBondContact O-N 2.99Å; S281-T285 PolarHBondContact O-OG1 2.85Å
282D93.4Very high95.3Very high30 Ų3041.5 Ų41.516%0.1622%0.221CC..Hα-helixtrans-66.3-41.9176.1-73.3-25.1000111.7Y91 I278 L279 L280 T285 S286 L343Y91-D282 WeakPolarHBondContact CE2-OD2 3.39Å; Y91-D282 PolarHBondContact OH-OD2 3.36Å; I278-D282 PolarHBondContact O-N 3.37Å; I278-D282 VanDerWaalsContact O-N 3.08Å; L279-D282 PolarHBondContact O-N 3.28Å; L280-D282 VanDerWaalsContact C-N 3.28Å; L280-D282 PolarHBondContact O-N 3.23Å; D282-T285 WeakPolarHBondContact O-CB 3.47Å; D282-T285 PolarHBondContact O-N 2.84Å; D282-S286 PolarHBondContact O-N 3.15Å; D282-S286 PolarHBondContact O-OG 3.45Å; D282-S286 VanDerWaalsContact O-OG 3.06Å; D282-L343 HydrophobicContact CB-CD1 3.82Å; D282-L343 HydrophobicContact CB-CD2 3.91Å
283V95.7Very high95.3Very high1 Ų141.7 Ų41.71%0.00622%0.222CC..Hα-helixtrans-64.2-41.2175.1176.40000111.7I219 M223 L226 L279 L280 T285 S286 A287 L340 L343I219-V283 HydrophobicContact CG2-CG1 4.16Å; M223-V283 HydrophobicContact CG-CG1 3.45Å; M223-V283 VanDerWaalsContact CG-CG1 3.45Å; M223-V283 HydrophobicContact SD-CG1 4.4Å; L226-V283 HydrophobicContact CD1-CB 4.4Å; L226-V283 HydrophobicContact CD1-CG2 3.78Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.07Å; L280-V283 PolarHBondContact O-N 3.33Å; V283-T285 VanDerWaalsContact C-N 3.27Å; V283-T285 PolarHBondContact O-N 2.99Å; V283-S286 WeakPolarHBondContact O-CB 3.5Å; V283-S286 PolarHBondContact O-N 3.14Å; V283-A287 PolarHBondContact O-N 3.08Å; V283-L340 HydrophobicContact CG1-CD1 4.34Å; V283-L340 HydrophobicContact CG2-CD1 4.32Å; V283-L343 HydrophobicContact CG2-CB 4.26Å; V283-L343 HydrophobicContact CG2-CD1 3.62Å
284I94.8Very high95.3Very high56 Ų5643 Ų4329%0.28723%0.23SC..Hα-helixtrans-62.1-39.2175.1-70.3166.9000110.5M223 L280 S281 A287 R288M223-I284 HydrophobicContact CE-CG1 4.15Å; L280-I284 HydrophobicContact CD1-CD1 4.36Å; L280-I284 HydrophobicContact CD1-CG1 4.45Å; L280-I284 HydrophobicContact CG-CD1 3.98Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.39Å; L280-I284 PolarHBondContact O-N 3.12Å; S281-I284 PolarHBondContact O-N 3.37Å; I284-A287 WeakPolarHBondContact O-CB 3.48Å; I284-A287 PolarHBondContact O-N 3.43Å; I284-R288 WeakPolarHBondContact O-CG 3.34Å; I284-R288 PolarHBondContact O-N 2.69Å; I284-R288 VanDerWaalsContact O-N 3.13Å
285T94.1Very high95.5Very high51 Ų5146.3 Ų46.331%0.31325%0.249SC..Hα-helixtrans-63.1-46.3175.3-58.80000110.5S281 D282 V283 A287 R288 E289S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 PolarHBondContact O-N 2.99Å; S281-T285 PolarHBondContact O-OG1 2.85Å; D282-T285 WeakPolarHBondContact O-CB 3.47Å; D282-T285 PolarHBondContact O-N 2.84Å; V283-T285 VanDerWaalsContact C-N 3.27Å; V283-T285 PolarHBondContact O-N 2.99Å; T285-A287 VanDerWaalsContact C-N 3.31Å; T285-A287 PolarHBondContact O-N 3.14Å; T285-R288 PolarHBondContact O-N 3.33Å; T285-E289 WeakPolarHBondContact O-CG 3.45Å; T285-E289 PolarHBondContact O-N 3.25Å
286S94Very high95.6Very high1 Ų150.8 Ų50.81%0.00727%0.269CS..Hα-helixtrans-58.7-40.3174.2-54.80000112.5D282 V283 R288 E289 V290 E336 L339D282-S286 PolarHBondContact O-N 3.15Å; D282-S286 PolarHBondContact O-OG 3.45Å; D282-S286 VanDerWaalsContact O-OG 3.06Å; V283-S286 WeakPolarHBondContact O-CB 3.5Å; V283-S286 PolarHBondContact O-N 3.14Å; S286-R288 VanDerWaalsContact C-N 3.35Å; S286-R288 PolarHBondContact O-N 3.14Å; S286-E289 PolarHBondContact O-N 3.46Å; S286-V290 WeakPolarHBondContact O-CB 3.46Å; S286-V290 VanDerWaalsContact O-CG2 3.31Å; S286-V290 WeakPolarHBondContact O-CG2 3.45Å; S286-V290 PolarHBondContact O-N 2.89Å; S286-E336 VanDerWaalsContact CB-OE2 3.24Å; S286-E336 WeakPolarHBondContact CB-OE2 3.23Å; S286-E336 PolarHBondContact OG-OE2 3.26Å; S286-L339 VanDerWaalsContact OG-CD2 3.23Å; S286-L339 WeakPolarHBondContact OG-CD2 3.14Å
287A96.4Very high95.6Very high31 Ų3151.8 Ų51.826%0.25627%0.274SS..Hα-helixtrans-58.7-45.9176.500000111.9I219 V283 I284 T285 V290 E291I219-A287 HydrophobicContact CG2-CB 3.73Å; V283-A287 PolarHBondContact O-N 3.08Å; I284-A287 WeakPolarHBondContact O-CB 3.48Å; I284-A287 PolarHBondContact O-N 3.43Å; T285-A287 VanDerWaalsContact C-N 3.31Å; T285-A287 PolarHBondContact O-N 3.14Å; A287-V290 PolarHBondContact O-N 2.82Å; A287-E291 PolarHBondContact O-N 3.39Å
288R96.2Very high95.7Very high163 Ų16351.5 Ų51.562%0.61528%0.276SS*.Hα-helixtrans-64.7-43.8177.4-67.4172.5-178.4172.92111.9I284 T285 S286 E291 V292I284-R288 WeakPolarHBondContact O-CG 3.34Å; I284-R288 PolarHBondContact O-N 2.69Å; I284-R288 VanDerWaalsContact O-N 3.13Å; T285-R288 PolarHBondContact O-N 3.33Å; S286-R288 VanDerWaalsContact C-N 3.35Å; S286-R288 PolarHBondContact O-N 3.14Å; R288-E291 PolarHBondContact O-N 2.84Å; R288-V292 WeakPolarHBondContact O-CG2 3.34Å; R288-V292 PolarHBondContact O-N 3.24Å
289E94.7Very high95.9Very high87 Ų8752 Ų5241%0.40729%0.287SS..Hα-helixtrans-63.8-39.8177.9-70.8-63.4156.900111.9T285 S286 V292 T293 E336T285-E289 WeakPolarHBondContact O-CG 3.45Å; T285-E289 PolarHBondContact O-N 3.25Å; S286-E289 PolarHBondContact O-N 3.46Å; E289-V292 PolarHBondContact O-N 3.02Å; E289-T293 VanDerWaalsContact O-CB 3.25Å; E289-T293 WeakPolarHBondContact O-CB 3.42Å; E289-T293 PolarHBondContact O-N 2.72Å; E289-T293 PolarHBondContact O-OG1 2.78Å; E289-E336 WeakPolarHBondContact CB-OE1 3.39Å
290V96.8Very high95.9Very high2 Ų253 Ų531%0.01229%0.293CS..Hα-helixtrans-64.7-42.5175170.20000111.3L215 I219 S286 A287 T293 N294 F333 E336L215-V290 HydrophobicContact CB-CG1 4.1Å; L215-V290 HydrophobicContact CB-CG2 4.36Å; L215-V290 HydrophobicContact CD1-CG1 4.42Å; L215-V290 HydrophobicContact CD1-CG2 3.89Å; L215-V290 HydrophobicContact CD2-CG2 4.39Å; L215-V290 HydrophobicContact CG-CG2 4.45Å; I219-V290 HydrophobicContact CD1-CB 4.16Å; I219-V290 HydrophobicContact CD1-CG2 3.76Å; S286-V290 WeakPolarHBondContact O-CB 3.46Å; S286-V290 VanDerWaalsContact O-CG2 3.31Å; S286-V290 WeakPolarHBondContact O-CG2 3.45Å; S286-V290 PolarHBondContact O-N 2.89Å; A287-V290 PolarHBondContact O-N 2.82Å; V290-T293 PolarHBondContact O-N 2.84Å; V290-N294 WeakPolarHBondContact O-CB 3.33Å; V290-N294 PolarHBondContact O-N 3.18Å; V290-F333 HydrophobicContact CG1-CE1 4.24Å; V290-E336 HydrophobicContact CG2-CB 3.93Å; V290-E336 HydrophobicContact CG2-CG 3.69Å
291E96.9Very high95.8Very high134 Ų13452 Ų5263%0.62629%0.288SS*.Hα-helixtrans-60.5-48.5176.8-174.4179.3-171.400111.5A287 R288 T293 N294 T295A287-E291 PolarHBondContact O-N 3.39Å; R288-E291 PolarHBondContact O-N 2.84Å; E291-T293 PolarHBondContact O-N 3.03Å; E291-N294 PolarHBondContact O-N 3.26Å; E291-T295 WeakPolarHBondContact O-CG2 3.26Å; E291-T295 PolarHBondContact O-N 3.07Å; E291-T295 PolarHBondContact O-OG1 3.26Å
292V96.8Very high95.8Very high66 Ų6654.7 Ų54.740%0.429%0.293SS..Hα-helixtrans-62-45.1176.3173.10000111R288 E289 N294 T295 Q296R288-V292 WeakPolarHBondContact O-CG2 3.34Å; R288-V292 PolarHBondContact O-N 3.24Å; E289-V292 PolarHBondContact O-N 3.02Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 PolarHBondContact O-N 2.81Å; V292-T295 PolarHBondContact O-N 3.49Å; V292-T295 PolarHBondContact O-OG1 2.89Å; V292-Q296 VanDerWaalsContact O-CG 3.31Å; V292-Q296 WeakPolarHBondContact O-CG 3.49Å; V292-Q296 PolarHBondContact O-N 3.18Å
293T97Very high95.8Very high6 Ų658.3 Ų58.34%0.03731%0.309CS..Hα-helixtrans-64.8-39.5179.8-56.90000111.2E289 V290 E291 Q296 F297 L329 F333E289-T293 VanDerWaalsContact O-CB 3.25Å; E289-T293 WeakPolarHBondContact O-CB 3.42Å; E289-T293 PolarHBondContact O-N 2.72Å; E289-T293 PolarHBondContact O-OG1 2.78Å; V290-T293 PolarHBondContact O-N 2.84Å; E291-T293 PolarHBondContact O-N 3.03Å; T293-Q296 PolarHBondContact O-N 2.68Å; T293-F297 VanDerWaalsContact O-CB 3.22Å; T293-F297 WeakPolarHBondContact O-CB 3.49Å; T293-F297 PolarHBondContact O-N 3.07Å; T293-L329 HydrophobicContact CG2-CB 4.22Å; T293-L329 HydrophobicContact CG2-CD2 4Å; T293-L329 WeakPolarHBondContact CG2-O 3.49Å; T293-F333 HydrophobicContact CG2-CD1 3.99Å; T293-F333 HydrophobicContact CG2-CD2 4.17Å; T293-F333 HydrophobicContact CG2-CE1 3.6Å; T293-F333 HydrophobicContact CG2-CE2 3.79Å; T293-F333 HydrophobicContact CG2-CG 4.26Å; T293-F333 HydrophobicContact CG2-CZ 3.5Å
294N96.7Very high95.6Very high55 Ų5558.2 Ų58.229%0.29431%0.308SS..Hα-helixtrans-66.2-43.5179.4-164.233000112.4V290 E291 V292 F297 A298 F333V290-N294 WeakPolarHBondContact O-CB 3.33Å; V290-N294 PolarHBondContact O-N 3.18Å; E291-N294 PolarHBondContact O-N 3.26Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-N294 PolarHBondContact O-N 2.81Å; N294-F297 PolarHBondContact O-N 3.09Å; N294-A298 WeakPolarHBondContact O-CB 3.48Å; N294-A298 PolarHBondContact O-N 3.26Å; N294-F333 HydrophobicContact CB-CE1 4.39Å; N294-F333 HydrophobicContact CB-CZ 4.15Å
295T97.1Very high95.4Very high87 Ų8758.4 Ų58.453%0.53431%0.307SS..Hα-helixtrans-62.8-43.7174.856.20000111.9E291 V292 A299E291-T295 WeakPolarHBondContact O-CG2 3.26Å; E291-T295 PolarHBondContact O-N 3.07Å; E291-T295 PolarHBondContact O-OG1 3.26Å; V292-T295 PolarHBondContact O-N 3.49Å; V292-T295 PolarHBondContact O-OG1 2.89Å; T295-A299 WeakPolarHBondContact O-CB 3.36Å; T295-A299 PolarHBondContact O-N 2.93Å
296Q97.4Very high95.1Very high97 Ų9760.9 Ų60.945%0.45332%0.318SS..Hα-helixtrans-65.7-38.7176.4-70.8176.64.200112.7V292 T293 T300 L329V292-Q296 VanDerWaalsContact O-CG 3.31Å; V292-Q296 WeakPolarHBondContact O-CG 3.49Å; V292-Q296 PolarHBondContact O-N 3.18Å; T293-Q296 PolarHBondContact O-N 2.68Å; Q296-T300 WeakPolarHBondContact O-CB 3.4Å; Q296-T300 PolarHBondContact O-N 3.33Å; Q296-T300 PolarHBondContact O-OG1 3.11Å; Q296-L329 HydrophobicContact CB-CD1 4.17Å; Q296-L329 HydrophobicContact CB-CD2 3.85Å
297F97.1Very high94.7Very high21 Ų2162 Ų629%0.09233%0.325CS..Hα-helixtrans-64.3-48.4178-174.7-92.8000111.1L196 T293 N294 A299 T300 M301 L326 L329 W330 F333L196-F297 HydrophobicContact CD1-CE2 4.31Å; T293-F297 VanDerWaalsContact O-CB 3.22Å; T293-F297 WeakPolarHBondContact O-CB 3.49Å; T293-F297 PolarHBondContact O-N 3.07Å; N294-F297 PolarHBondContact O-N 3.09Å; F297-A299 PolarHBondContact O-N 3.17Å; F297-T300 PolarHBondContact O-N 3.45Å; F297-M301 HydrophobicContact CE1-CE 3.92Å; F297-M301 HydrophobicContact CE2-CE 4.5Å; F297-M301 HydrophobicContact CZ-CE 3.69Å; F297-M301 VanDerWaalsContact O-CB 3.23Å; F297-M301 WeakPolarHBondContact O-CB 3.33Å; F297-M301 PolarHBondContact O-N 3.4Å; F297-L326 HydrophobicContact CD2-CD2 3.81Å; F297-L326 HydrophobicContact CE2-CD2 3.74Å; F297-L326 HydrophobicContact CG-CD2 4.44Å; F297-L326 HydrophobicContact CZ-CD2 4.31Å; F297-L329 HydrophobicContact CB-CD1 4.31Å; F297-L329 HydrophobicContact CD2-CB 4Å; F297-W330 AromaticContact CE2-CE3 3.95Å; F297-W330 HydrophobicContact CE2-CE3 3.95Å; F297-W330 HydrophobicContact CZ-CE3 4.05Å; F297-W330 HydrophobicContact CZ-CZ3 4.26Å; F297-F333 HydrophobicContact CB-CE2 4.14Å; F297-F333 HydrophobicContact CB-CZ 4.38Å; F297-F333 HydrophobicContact CD2-CE2 4.2Å; F297-F333 HydrophobicContact CG-CE2 4.11Å
298A96.3Very high94.1Very high55 Ų5562.5 Ų62.546%0.45533%0.325SS..Hα-helixtrans-59.4-46.9176.500000111.9N294 M301 E302N294-A298 WeakPolarHBondContact O-CB 3.48Å; N294-A298 PolarHBondContact O-N 3.26Å; A298-M301 PolarHBondContact O-N 2.93Å; A298-E302 WeakPolarHBondContact O-CB 3.47Å; A298-E302 PolarHBondContact O-N 3.45Å
299A96.6Very high92.8Very high56 Ų5660.1 Ų60.146%0.46332%0.321SS..Hα-helixtrans-63.1-44.1178.700000112.6T295 F297 M301 E302 Q303T295-A299 WeakPolarHBondContact O-CB 3.36Å; T295-A299 PolarHBondContact O-N 2.93Å; F297-A299 PolarHBondContact O-N 3.17Å; A299-M301 VanDerWaalsContact C-N 3.33Å; A299-M301 PolarHBondContact O-N 3.35Å; A299-E302 PolarHBondContact O-N 3.44Å; A299-Q303 WeakPolarHBondContact O-CB 3.38Å; A299-Q303 PolarHBondContact O-N 3.1Å
300T96Very high91.3Very high21 Ų2163.6 Ų63.613%0.12934%0.342CS..Hα-helixtrans-65.3-39.5177.8-54.70000111Q296 F297 Q303 L304 L322 A325 L326Q296-T300 WeakPolarHBondContact O-CB 3.4Å; Q296-T300 PolarHBondContact O-N 3.33Å; Q296-T300 PolarHBondContact O-OG1 3.11Å; F297-T300 PolarHBondContact O-N 3.45Å; T300-Q303 PolarHBondContact O-N 2.92Å; T300-L304 WeakPolarHBondContact O-CB 3.49Å; T300-L304 PolarHBondContact O-N 3.29Å; T300-L322 HydrophobicContact CG2-CD2 4.33Å; T300-A325 HydrophobicContact CG2-CB 4.06Å; T300-L326 HydrophobicContact CG2-CD2 3.77Å; T300-L326 HydrophobicContact CG2-CG 3.85Å
301M94.8Very high90Very high6 Ų668.4 Ų68.43%0.0336%0.363CS..Hα-helixtrans-64.9-42.3177.1-172.962.775.900111.7Y197 E200 F297 A298 A299 L304 K305 L326Y197-M301 HydrophobicContact CD2-SD 3.89Å; E200-M301 HydrophobicContact CB-CE 3.97Å; E200-M301 HydrophobicContact CB-CG 4.33Å; E200-M301 HydrophobicContact CB-SD 3.85Å; E200-M301 HydrophobicContact CG-CE 4.29Å; E200-M301 HydrophobicContact CG-CG 3.68Å; E200-M301 HydrophobicContact CG-SD 3.84Å; F297-M301 HydrophobicContact CE1-CE 3.92Å; F297-M301 HydrophobicContact CE2-CE 4.5Å; F297-M301 HydrophobicContact CZ-CE 3.69Å; F297-M301 VanDerWaalsContact O-CB 3.23Å; F297-M301 WeakPolarHBondContact O-CB 3.33Å; F297-M301 PolarHBondContact O-N 3.4Å; A298-M301 PolarHBondContact O-N 2.93Å; A299-M301 VanDerWaalsContact C-N 3.33Å; A299-M301 PolarHBondContact O-N 3.35Å; M301-L304 PolarHBondContact O-N 3.11Å; M301-K305 WeakPolarHBondContact O-CG 3.25Å; M301-K305 PolarHBondContact O-N 3.12Å; M301-L326 HydrophobicContact CB-CD2 4.35Å; M301-L326 HydrophobicContact CE-CD1 3.84Å; M301-L326 HydrophobicContact CE-CD2 4.09Å; M301-L326 HydrophobicContact SD-CD1 4.1Å
302E93.9Very high88.2Confident122 Ų12269.7 Ų69.757%0.5738%0.38SS*.Hα-helixtrans-64.7-44.8175-173.3177.1-173.100111.9A298 A299 L304 K305 N306A298-E302 WeakPolarHBondContact O-CB 3.47Å; A298-E302 PolarHBondContact O-N 3.45Å; A299-E302 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 2.95Å; E302-K305 PolarHBondContact O-N 2.93Å; E302-N306 PolarHBondContact O-N 2.82Å; E302-N306 PolarHBondContact O-ND2 3.08Å
303Q92.8Very high86.5Confident106 Ų10671.6 Ų71.650%0.49540%0.396SS..Hα-helixtrans-57.5-42.6174.2-177.6-180-9.300111.4A299 T300 N306 T307 L322A299-Q303 WeakPolarHBondContact O-CB 3.38Å; A299-Q303 PolarHBondContact O-N 3.1Å; T300-Q303 PolarHBondContact O-N 2.92Å; Q303-N306 PolarHBondContact O-N 3.43Å; Q303-T307 WeakPolarHBondContact O-CB 3.37Å; Q303-T307 PolarHBondContact O-N 3.03Å; Q303-T307 PolarHBondContact O-OG1 2.98Å; Q303-L322 HydrophobicContact CG-CD1 4.09Å; Q303-L322 HydrophobicContact CG-CD2 4.26Å
304L91.3Very high85.2Confident0 Ų073 Ų730%040%0.404CS..Hα-helixtrans-66.5-44.1177.9-177.763.3000111.9Y197 T300 M301 E302 N306 T307 V308 V319 L322 F323 L326Y197-L304 HydrophobicContact CD2-CB 4.46Å; Y197-L304 HydrophobicContact CD2-CD2 3.39Å; Y197-L304 HydrophobicContact CD2-CG 3.68Å; Y197-L304 HydrophobicContact CE2-CD2 4.15Å; Y197-L304 HydrophobicContact CE2-CG 3.92Å; Y197-L304 HydrophobicContact CG-CD2 3.76Å; Y197-L304 HydrophobicContact CG-CG 4.35Å; T300-L304 WeakPolarHBondContact O-CB 3.49Å; T300-L304 PolarHBondContact O-N 3.29Å; M301-L304 PolarHBondContact O-N 3.11Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 2.95Å; L304-N306 PolarHBondContact O-N 2.95Å; L304-T307 PolarHBondContact O-N 3.29Å; L304-V308 HydrophobicContact CD1-CG2 3.99Å; L304-V308 WeakPolarHBondContact O-CG2 3.44Å; L304-V308 PolarHBondContact O-N 3.01Å; L304-V319 HydrophobicContact CD1-CG1 3.42Å; L304-V319 VanDerWaalsContact CD1-CG1 3.42Å; L304-L322 HydrophobicContact CB-CD1 4.36Å; L304-L322 HydrophobicContact CD1-CB 3.97Å; L304-L322 HydrophobicContact CD1-CD1 4.08Å; L304-F323 HydrophobicContact CD1-CD1 4.43Å; L304-F323 HydrophobicContact CD1-CE1 4.1Å; L304-F323 HydrophobicContact CD1-CZ 4.23Å; L304-F323 HydrophobicContact CD2-CD1 3.7Å; L304-F323 HydrophobicContact CD2-CE1 3.52Å; L304-F323 HydrophobicContact CD2-CZ 4.4Å; L304-F323 HydrophobicContact CG-CE1 4.34Å; L304-L326 HydrophobicContact CD2-CD1 3.43Å; L304-L326 VanDerWaalsContact CD2-CD1 3.43Å
305K90.1Very high84.1Confident60 Ų6072 Ų7226%0.26141%0.407SS..Hα-helixtrans-54.7-51.3172.4-75.1174.6-176.3173.20110.3Y197 E200 M301 E302 T307 V308 Q309Y197-K305 HydrophobicContact CE2-CG 3.9Å; E200-K305 IonicContact OE1-NZ 2.62Å; E200-K305 PolarHBondContact OE1-NZ 2.9Å; M301-K305 WeakPolarHBondContact O-CG 3.25Å; M301-K305 PolarHBondContact O-N 3.12Å; E302-K305 PolarHBondContact O-N 2.93Å; K305-T307 VanDerWaalsContact C-N 3.28Å; K305-T307 PolarHBondContact O-N 3.41Å; K305-V308 PolarHBondContact O-N 3.36Å; K305-Q309 WeakPolarHBondContact O-CA 3.36Å; K305-Q309 WeakPolarHBondContact O-CB 3.46Å; K305-Q309 PolarHBondContact O-N 3.23Å
306N88.1Confident83.4Confident102 Ų10271.9 Ų71.955%0.54541%0.406SS..Hα-helixtrans-62.8-32.2179.3-70-27.7000113.6E302 Q303 L304E302-N306 PolarHBondContact O-N 2.82Å; E302-N306 PolarHBondContact O-ND2 3.08Å; Q303-N306 PolarHBondContact O-N 3.43Å; L304-N306 PolarHBondContact O-N 2.95Å
307T86.1Confident82.6Confident24 Ų2472.9 Ų72.915%0.14742%0.419CS..Hα-helixtrans-75.4-34.8-179.5-57.50000112.1Q303 L304 K305 K311 V314 E318 V319Q303-T307 WeakPolarHBondContact O-CB 3.37Å; Q303-T307 PolarHBondContact O-N 3.03Å; Q303-T307 PolarHBondContact O-OG1 2.98Å; L304-T307 PolarHBondContact O-N 3.29Å; K305-T307 VanDerWaalsContact C-N 3.28Å; K305-T307 PolarHBondContact O-N 3.41Å; T307-K311 WeakPolarHBondContact O-CD 3.39Å; T307-V314 HydrophobicContact CG2-CG1 3.96Å; T307-E318 HydrophobicContact CG2-CB 4.45Å; T307-V319 HydrophobicContact CG2-CG2 4.43Å
308V83.2Confident81.9Confident42 Ų4276.8 Ų76.826%0.25544%0.438SS..Hα-helixtrans-93.4-31.6-176.8178.60000112.4Y197 L304 K305 N310 K311 V319Y197-V308 HydrophobicContact CE1-CG1 4.44Å; L304-V308 HydrophobicContact CD1-CG2 3.99Å; L304-V308 WeakPolarHBondContact O-CG2 3.44Å; L304-V308 PolarHBondContact O-N 3.01Å; K305-V308 PolarHBondContact O-N 3.36Å; V308-N310 PolarHBondContact O-N 3.29Å; V308-K311 PolarHBondContact O-N 2.93Å; V308-V319 HydrophobicContact CG2-CG1 4.07Å
309Q70.1Confident81.6Confident114 Ų11474.7 Ų74.753%0.53342%0.419SS..THydrogen-bonded Turntrans-66.5130.8-178.1-169167.93.400110.4K305 K311K305-Q309 WeakPolarHBondContact O-CA 3.36Å; K305-Q309 WeakPolarHBondContact O-CB 3.46Å; K305-Q309 PolarHBondContact O-N 3.23Å; Q309-K311 VanDerWaalsContact C-N 3.31Å; Q309-K311 PolarHBondContact O-N 3.06Å
310N63Low81.4Confident160 Ų16074.9 Ų74.986%0.85641%0.41SS*.THydrogen-bonded Turntrans6812.4179-53.1-31.4000116.9V308V308-N310 PolarHBondContact O-N 3.29Å
311K69.1Low81.3Confident102 Ų10277.5 Ų77.544%0.44343%0.427SS..  trans-106.7130.1172-66.3-169.4-171170.50111.5T307 V308 Q309 S313 V314 E318T307-K311 WeakPolarHBondContact O-CD 3.39Å; V308-K311 PolarHBondContact O-N 2.93Å; Q309-K311 VanDerWaalsContact C-N 3.31Å; Q309-K311 PolarHBondContact O-N 3.06Å; K311-S313 VanDerWaalsContact C-N 3.3Å; K311-V314 HydrophobicContact CB-CG2 3.82Å; K311-V314 HydrophobicContact CD-CG1 4.42Å; K311-V314 HydrophobicContact CD-CG2 4.16Å; K311-E318 IonicContact NZ-OE2 3.52Å
312V58.5Low81.3Confident162 Ų16278 Ų7898%0.98243%0.43SS*.SBendtrans-71.2-27.9175.9-179.60000111.6
313S60.6Low81.4Confident105 Ų10573.2 Ų73.273%0.73441%0.407SS*.  trans-149.2137.3175.7178.70000108.8K311K311-S313 VanDerWaalsContact C-N 3.3Å
314V69.6Low81.6Confident35 Ų3569.7 Ų69.721%0.21239%0.393CS..  trans-121.5137.2177.5-161.10000108.8T307 K311 T316 V319T307-V314 HydrophobicContact CG2-CG1 3.96Å; K311-V314 HydrophobicContact CB-CG2 3.82Å; K311-V314 HydrophobicContact CD-CG1 4.42Å; K311-V314 HydrophobicContact CD-CG2 4.16Å; V314-T316 PolarHBondContact O-N 3.4Å; V314-V319 HydrophobicContact CB-CG2 3.66Å; V314-V319 HydrophobicContact CG1-CG2 3.17Å
315G75.3Confident81.8Confident35 Ų3571.3 Ų71.336%0.36141%0.406SS..  trans-65.1132.3178.900000111.1T317 E318 V319G315-T317 PolarHBondContact O-N 3.25Å; G315-T317 VanDerWaalsContact O-N 3.14Å; G315-E318 PolarHBondContact O-N 2.85Å; G315-V319 PolarHBondContact O-N 3.45Å
316T80.6Confident82.1Confident84 Ų8468.5 Ų68.552%0.51539%0.394SS..Hα-helixtrans-56.5-3017751.20000112.3V314 E318 F320V314-T316 PolarHBondContact O-N 3.4Å; T316-E318 VanDerWaalsContact C-N 3.28Å; T316-E318 PolarHBondContact O-N 2.96Å; T316-F320 HydrophobicContact CG2-CE1 3.83Å; T316-F320 HydrophobicContact CG2-CE2 4.11Å; T316-F320 HydrophobicContact CG2-CZ 3.6Å; T316-F320 WeakPolarHBondContact O-CB 3.47Å; T316-F320 VanDerWaalsContact O-CG 3.28Å; T316-F320 WeakPolarHBondContact O-CG 3.37Å; T316-F320 PolarHBondContact O-N 3.37Å
317T81.5Confident82.5Confident118 Ų11863.9 Ų63.972%0.72437%0.37SS*.Hα-helixtrans-64.4-25.5175.350.90000114.3G315 P321G315-T317 PolarHBondContact O-N 3.25Å; G315-T317 VanDerWaalsContact O-N 3.14Å; T317-P321 WeakPolarHBondContact O-CD 3.44Å; T317-P321 WeakPolarHBondContact O-CG 3.38Å
318E82.8Confident83Confident103 Ų10366.5 Ų66.548%0.48138%0.383SS..Hα-helixtrans-90.5-39.3179.3-63.9-177171.500111.6T307 K311 G315 T316T307-E318 HydrophobicContact CG2-CB 4.45Å; K311-E318 IonicContact NZ-OE2 3.52Å; G315-E318 PolarHBondContact O-N 2.85Å; T316-E318 VanDerWaalsContact C-N 3.28Å; T316-E318 PolarHBondContact O-N 2.96Å
319V88.8Confident83.7Confident11 Ų1165.3 Ų65.37%0.06738%0.375CS..Hα-helixtrans-91.4-36.2-170-158.60000113.1L304 T307 V308 V314 G315 L322 F323L304-V319 HydrophobicContact CD1-CG1 3.42Å; L304-V319 VanDerWaalsContact CD1-CG1 3.42Å; T307-V319 HydrophobicContact CG2-CG2 4.43Å; V308-V319 HydrophobicContact CG2-CG1 4.07Å; V314-V319 HydrophobicContact CB-CG2 3.66Å; V314-V319 HydrophobicContact CG1-CG2 3.17Å; G315-V319 PolarHBondContact O-N 3.45Å; V319-L322 WeakPolarHBondContact O-CB 3.26Å; V319-L322 PolarHBondContact O-N 3.07Å; V319-L322 VanDerWaalsContact O-N 3.1Å; V319-F323 HydrophobicContact CB-CD2 4.44Å; V319-F323 HydrophobicContact CB-CE2 4.14Å; V319-F323 HydrophobicContact CG1-CD2 3.74Å; V319-F323 HydrophobicContact CG1-CE2 3.2Å; V319-F323 HydrophobicContact CG1-CZ 3.65Å; V319-F323 WeakPolarHBondContact O-CD2 3.33Å; V319-F323 PolarHBondContact O-N 3.5Å
320F92.2Very high85Confident61 Ų6160.2 Ų60.227%0.26835%0.351SS..Hα-helixtrans-61.3-41.9-176.1-74.913.2000113V163 L190 T316 L322 F323 V324V163-F320 HydrophobicContact CB-CZ 4.09Å; V163-F320 HydrophobicContact CG1-CE1 3.79Å; V163-F320 HydrophobicContact CG1-CZ 3.76Å; L190-F320 HydrophobicContact CD1-CD2 3.99Å; L190-F320 HydrophobicContact CD1-CE2 4.15Å; L190-F320 HydrophobicContact CD1-CG 4.43Å; L190-F320 HydrophobicContact CD2-CB 3.64Å; L190-F320 HydrophobicContact CD2-CD1 4.11Å; L190-F320 HydrophobicContact CD2-CD2 4.07Å; L190-F320 HydrophobicContact CD2-CG 3.69Å; T316-F320 HydrophobicContact CG2-CE1 3.83Å; T316-F320 HydrophobicContact CG2-CE2 4.11Å; T316-F320 HydrophobicContact CG2-CZ 3.6Å; T316-F320 WeakPolarHBondContact O-CB 3.47Å; T316-F320 VanDerWaalsContact O-CG 3.28Å; T316-F320 WeakPolarHBondContact O-CG 3.37Å; T316-F320 PolarHBondContact O-N 3.37Å; F320-L322 VanDerWaalsContact C-N 3.26Å; F320-L322 PolarHBondContact O-N 3.24Å; F320-F323 HydrophobicContact CD1-CD2 4.46Å; F320-F323 PolarHBondContact O-N 2.91Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 3.38Å
321P95.1Very high86.4Confident76 Ų7654.8 Ų54.849%0.49432%0.324SS..Hα-helixtrans-58.6-36.9174.3-25.536.1000113.2T317 V324 A325T317-P321 WeakPolarHBondContact O-CD 3.44Å; T317-P321 WeakPolarHBondContact O-CG 3.38Å; P321-V324 PolarHBondContact O-N 3.45Å; P321-A325 WeakPolarHBondContact O-CB 3.36Å; P321-A325 PolarHBondContact O-N 3.22Å
322L94.9Very high87.7Confident17 Ų1752 Ų529%0.08932%0.317CS..Hα-helixtrans-70.8-40.8179.2-62.2177.2000112.1T300 Q303 L304 V319 F320 A325 L326T300-L322 HydrophobicContact CG2-CD2 4.33Å; Q303-L322 HydrophobicContact CG-CD1 4.09Å; Q303-L322 HydrophobicContact CG-CD2 4.26Å; L304-L322 HydrophobicContact CB-CD1 4.36Å; L304-L322 HydrophobicContact CD1-CB 3.97Å; L304-L322 HydrophobicContact CD1-CD1 4.08Å; V319-L322 WeakPolarHBondContact O-CB 3.26Å; V319-L322 PolarHBondContact O-N 3.07Å; V319-L322 VanDerWaalsContact O-N 3.1Å; F320-L322 VanDerWaalsContact C-N 3.26Å; F320-L322 PolarHBondContact O-N 3.24Å; L322-A325 PolarHBondContact O-N 2.86Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 3.36Å
323F95.6Very high89.5Confident20 Ų2044.3 Ų44.39%0.08827%0.271CS..Hα-helixtrans-63-42.1173.5-71.3-50.9000112.1L190 G193 I194 Y197 L304 V319 F320 A325 L326 S327L190-F323 HydrophobicContact CD2-CB 4.21Å; G193-F323 VanDerWaalsContact C-CD1 3.41Å; G193-F323 WeakPolarHBondContact CA-O 3.27Å; I194-F323 HydrophobicContact CB-CE1 4.3Å; I194-F323 HydrophobicContact CD1-CD2 4.38Å; I194-F323 HydrophobicContact CD1-CE2 4.29Å; I194-F323 HydrophobicContact CG1-CD1 3.86Å; I194-F323 HydrophobicContact CG1-CD2 3.78Å; I194-F323 HydrophobicContact CG1-CE1 3.71Å; I194-F323 HydrophobicContact CG1-CE2 3.63Å; I194-F323 HydrophobicContact CG1-CG 3.89Å; I194-F323 HydrophobicContact CG1-CZ 3.62Å; Y197-F323 HydrophobicContact CD1-CE1 4.39Å; Y197-F323 HydrophobicContact CG-CE1 4.16Å; L304-F323 HydrophobicContact CD1-CD1 4.43Å; L304-F323 HydrophobicContact CD1-CE1 4.1Å; L304-F323 HydrophobicContact CD1-CZ 4.23Å; L304-F323 HydrophobicContact CD2-CD1 3.7Å; L304-F323 HydrophobicContact CD2-CE1 3.52Å; L304-F323 HydrophobicContact CD2-CZ 4.4Å; L304-F323 HydrophobicContact CG-CE1 4.34Å; V319-F323 HydrophobicContact CB-CD2 4.44Å; V319-F323 HydrophobicContact CB-CE2 4.14Å; V319-F323 HydrophobicContact CG1-CD2 3.74Å; V319-F323 HydrophobicContact CG1-CE2 3.2Å; V319-F323 HydrophobicContact CG1-CZ 3.65Å; V319-F323 WeakPolarHBondContact O-CD2 3.33Å; V319-F323 PolarHBondContact O-N 3.5Å; F320-F323 HydrophobicContact CD1-CD2 4.46Å; F320-F323 PolarHBondContact O-N 2.91Å; F323-A325 VanDerWaalsContact C-N 3.34Å; F323-L326 PolarHBondContact O-N 3.03Å; F323-S327 PolarHBondContact O-N 3.23Å
324V96.2Very high91Very high33 Ų3341.8 Ų41.820%0.225%0.247CC..Hα-helixtrans-62.6-43.1174.8172.40000110.7M189 L190 F320 P321 L326 S327 N328M189-V324 HydrophobicContact CB-CG1 4.35Å; M189-V324 HydrophobicContact CB-CG2 4.08Å; M189-V324 HydrophobicContact CE-CG1 4.25Å; M189-V324 HydrophobicContact SD-CG1 3.91Å; L190-V324 HydrophobicContact CD2-CG2 3.81Å; L190-V324 HydrophobicContact CG-CG2 4.23Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 3.38Å; P321-V324 PolarHBondContact O-N 3.45Å; V324-L326 PolarHBondContact O-N 3.16Å; V324-S327 WeakPolarHBondContact O-CB 3.39Å; V324-S327 PolarHBondContact O-N 3.47Å; V324-N328 PolarHBondContact O-N 2.87Å; V324-N328 PolarHBondContact O-ND2 2.92Å
325A96.7Very high92.2Very high34 Ų3441.1 Ų41.128%0.28124%0.242SC..Hα-helixtrans-59-46.2176.200000111.9T300 P321 L322 F323 S327 N328 L329T300-A325 HydrophobicContact CG2-CB 4.06Å; P321-A325 WeakPolarHBondContact O-CB 3.36Å; P321-A325 PolarHBondContact O-N 3.22Å; L322-A325 PolarHBondContact O-N 2.86Å; F323-A325 VanDerWaalsContact C-N 3.34Å; A325-S327 VanDerWaalsContact C-N 3.34Å; A325-S327 PolarHBondContact O-N 3.15Å; A325-N328 PolarHBondContact O-N 2.89Å; A325-L329 WeakPolarHBondContact O-CG 3.23Å; A325-L329 PolarHBondContact O-N 3.15Å
326L96.8Very high93.1Very high0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-60.1-42.1174.9-72.7177.4000112.5L196 F297 T300 M301 L304 L322 F323 V324 N328 L329 W330L196-L326 HydrophobicContact CD1-CB 4.5Å; F297-L326 HydrophobicContact CD2-CD2 3.81Å; F297-L326 HydrophobicContact CE2-CD2 3.74Å; F297-L326 HydrophobicContact CG-CD2 4.44Å; F297-L326 HydrophobicContact CZ-CD2 4.31Å; T300-L326 HydrophobicContact CG2-CD2 3.77Å; T300-L326 HydrophobicContact CG2-CG 3.85Å; M301-L326 HydrophobicContact CB-CD2 4.35Å; M301-L326 HydrophobicContact CE-CD1 3.84Å; M301-L326 HydrophobicContact CE-CD2 4.09Å; M301-L326 HydrophobicContact SD-CD1 4.1Å; L304-L326 HydrophobicContact CD2-CD1 3.43Å; L304-L326 VanDerWaalsContact CD2-CD1 3.43Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 3.36Å; F323-L326 PolarHBondContact O-N 3.03Å; V324-L326 PolarHBondContact O-N 3.16Å; L326-N328 VanDerWaalsContact C-N 3.32Å; L326-N328 PolarHBondContact O-N 2.72Å; L326-L329 PolarHBondContact O-N 3.31Å; L326-W330 WeakPolarHBondContact O-CB 3.37Å; L326-W330 PolarHBondContact O-N 2.91Å
327S96.7Very high93.8Very high5 Ų536.5 Ų36.54%0.03521%0.206CC..Hα-helixtrans-62.5-39.6176.5-178.10000112.3M189 T192 F323 V324 A325 W330 T331M189-S327 WeakPolarHBondContact CA-OG 3.49Å; M189-S327 VanDerWaalsContact O-CB 3.23Å; M189-S327 WeakPolarHBondContact O-CB 3.42Å; T192-S327 WeakPolarHBondContact CB-OG 3.4Å; T192-S327 WeakPolarHBondContact CG2-OG 3.41Å; F323-S327 PolarHBondContact O-N 3.23Å; V324-S327 WeakPolarHBondContact O-CB 3.39Å; V324-S327 PolarHBondContact O-N 3.47Å; A325-S327 VanDerWaalsContact C-N 3.34Å; A325-S327 PolarHBondContact O-N 3.15Å; S327-W330 PolarHBondContact O-N 3.38Å; S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 2.91Å
328N96.1Very high94.3Very high79 Ų7933.9 Ų33.942%0.42219%0.187SC..Hα-helixtrans-68-45.9178.6-69-23.4000110.9V324 A325 L326 W330 T331 S332V324-N328 PolarHBondContact O-N 2.87Å; V324-N328 PolarHBondContact O-ND2 2.92Å; A325-N328 PolarHBondContact O-N 2.89Å; L326-N328 VanDerWaalsContact C-N 3.32Å; L326-N328 PolarHBondContact O-N 2.72Å; N328-W330 VanDerWaalsContact C-N 3.26Å; N328-W330 PolarHBondContact O-N 3.11Å; N328-T331 WeakPolarHBondContact O-CB 3.42Å; N328-T331 PolarHBondContact O-N 3.24Å; N328-T331 VanDerWaalsContact O-N 3.11Å; N328-S332 PolarHBondContact O-N 3.26Å; N328-S332 PolarHBondContact O-OG 3.26Å
329L97.4Very high94.8Very high17 Ų1729.1 Ų29.19%0.08917%0.165CC..Hα-helixtrans-59.8-38.6175.3-68.2168.4000111.7T293 Q296 F297 A325 L326 S332 F333T293-L329 HydrophobicContact CG2-CB 4.22Å; T293-L329 HydrophobicContact CG2-CD2 4Å; T293-L329 WeakPolarHBondContact CG2-O 3.49Å; Q296-L329 HydrophobicContact CB-CD1 4.17Å; Q296-L329 HydrophobicContact CB-CD2 3.85Å; F297-L329 HydrophobicContact CB-CD1 4.31Å; F297-L329 HydrophobicContact CD2-CB 4Å; A325-L329 WeakPolarHBondContact O-CG 3.23Å; A325-L329 PolarHBondContact O-N 3.15Å; L326-L329 PolarHBondContact O-N 3.31Å; L329-S332 WeakPolarHBondContact O-CB 3.18Å; L329-S332 PolarHBondContact O-N 2.83Å; L329-F333 WeakPolarHBondContact O-CD2 3.3Å; L329-F333 PolarHBondContact O-N 2.89Å
330W96.6Very high95.1Very high7 Ų729.1 Ų29.13%0.02717%0.165CC..Hα-helixtrans-66.3-38.9174.8-166.8-94.6000113.3L144 L196 I208 D209 L211 P212 F297 L326 S327 N328 S332 F333 Q334L144-W330 HydrophobicContact CD2-CZ2 4.24Å; L144-W330 VanDerWaalsContact CD2-NE1 3.27Å; L196-W330 HydrophobicContact CD1-CB 3.55Å; L196-W330 HydrophobicContact CD1-CD2 3.98Å; L196-W330 HydrophobicContact CD1-CE3 4.2Å; L196-W330 HydrophobicContact CD1-CG 3.72Å; L196-W330 HydrophobicContact CD2-CD2 3.5Å; L196-W330 HydrophobicContact CD2-CE3 3.55Å; L196-W330 HydrophobicContact CD2-CG 4.04Å; L196-W330 HydrophobicContact CD2-CH2 4.05Å; L196-W330 HydrophobicContact CD2-CZ2 4.01Å; L196-W330 HydrophobicContact CD2-CZ3 3.84Å; L196-W330 HydrophobicContact CG-CD2 4.4Å; I208-W330 HydrophobicContact CG2-CH2 3.89Å; I208-W330 HydrophobicContact CG2-CZ2 3.46Å; I208-W330 VanDerWaalsContact CG2-CZ2 3.46Å; D209-W330 WeakPolarHBondContact O-CH2 3.4Å; D209-W330 WeakPolarHBondContact O-CZ2 3.29Å; L211-W330 HydrophobicContact CB-CH2 4.21Å; L211-W330 HydrophobicContact CB-CZ2 4.25Å; L211-W330 HydrophobicContact CD1-CD2 4.29Å; L211-W330 HydrophobicContact CD1-CH2 4.36Å; L211-W330 HydrophobicContact CD1-CZ2 3.62Å; L211-W330 HydrophobicContact CG-CH2 3.9Å; L211-W330 HydrophobicContact CG-CZ2 3.47Å; L211-W330 VanDerWaalsContact CG-CZ2 3.47Å; P212-W330 HydrophobicContact CG-CZ3 4.46Å; F297-W330 AromaticContact CE2-CE3 3.95Å; F297-W330 HydrophobicContact CE2-CE3 3.95Å; F297-W330 HydrophobicContact CZ-CE3 4.05Å; F297-W330 HydrophobicContact CZ-CZ3 4.26Å; L326-W330 WeakPolarHBondContact O-CB 3.37Å; L326-W330 PolarHBondContact O-N 2.91Å; S327-W330 PolarHBondContact O-N 3.38Å; N328-W330 VanDerWaalsContact C-N 3.26Å; N328-W330 PolarHBondContact O-N 3.11Å; W330-S332 VanDerWaalsContact C-N 3.27Å; W330-S332 PolarHBondContact O-N 3.18Å; W330-F333 HydrophobicContact CE3-CD2 4.1Å; W330-F333 PolarHBondContact O-N 3.25Å; W330-Q334 PolarHBondContact O-N 3.37Å; W330-Q334 VanDerWaalsContact O-N 3.07Å
331T94.4Very high95.2Very high46 Ų4634.4 Ų34.428%0.28218%0.183SC..Hα-helixtrans-62.3-38.8173.8-53.20000110.3S327 N328 F333 Q334 D335S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 2.91Å; N328-T331 WeakPolarHBondContact O-CB 3.42Å; N328-T331 PolarHBondContact O-N 3.24Å; N328-T331 VanDerWaalsContact O-N 3.11Å; T331-F333 VanDerWaalsContact C-N 3.34Å; T331-F333 PolarHBondContact O-N 3.03Å; T331-Q334 WeakPolarHBondContact O-CB 3.47Å; T331-Q334 PolarHBondContact O-N 3.34Å; T331-Q334 VanDerWaalsContact O-N 3.11Å; T331-D335 PolarHBondContact O-N 3.12Å
332S95.1Very high95.1Very high45 Ų4532.6 Ų32.632%0.31517%0.167SC..Hα-helixtrans-57.9-44173.1-56.80000112N328 L329 W330 Q334 D335 E336N328-S332 PolarHBondContact O-N 3.26Å; N328-S332 PolarHBondContact O-OG 3.26Å; L329-S332 WeakPolarHBondContact O-CB 3.18Å; L329-S332 PolarHBondContact O-N 2.83Å; W330-S332 VanDerWaalsContact C-N 3.27Å; W330-S332 PolarHBondContact O-N 3.18Å; S332-Q334 PolarHBondContact O-N 3.02Å; S332-D335 PolarHBondContact O-N 3.04Å; S332-E336 WeakPolarHBondContact O-CG 3.49Å; S332-E336 PolarHBondContact O-N 3.37Å
333F96.1Very high95.1Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-62-40.6173.8-66.9-54.9000113.1L211 P212 L215 V290 T293 N294 F297 L329 W330 T331 D335 E336 I337L211-F333 HydrophobicContact CB-CB 4Å; L211-F333 HydrophobicContact CD1-CB 4.12Å; P212-F333 HydrophobicContact CG-CD2 4.23Å; P212-F333 HydrophobicContact CG-CE1 4.41Å; P212-F333 HydrophobicContact CG-CE2 3.87Å; P212-F333 HydrophobicContact CG-CZ 3.95Å; L215-F333 HydrophobicContact CD1-CB 3.99Å; L215-F333 HydrophobicContact CD1-CD1 3.69Å; L215-F333 HydrophobicContact CD1-CG 4.27Å; V290-F333 HydrophobicContact CG1-CE1 4.24Å; T293-F333 HydrophobicContact CG2-CD1 3.99Å; T293-F333 HydrophobicContact CG2-CD2 4.17Å; T293-F333 HydrophobicContact CG2-CE1 3.6Å; T293-F333 HydrophobicContact CG2-CE2 3.79Å; T293-F333 HydrophobicContact CG2-CG 4.26Å; T293-F333 HydrophobicContact CG2-CZ 3.5Å; N294-F333 HydrophobicContact CB-CE1 4.39Å; N294-F333 HydrophobicContact CB-CZ 4.15Å; F297-F333 HydrophobicContact CB-CE2 4.14Å; F297-F333 HydrophobicContact CB-CZ 4.38Å; F297-F333 HydrophobicContact CD2-CE2 4.2Å; F297-F333 HydrophobicContact CG-CE2 4.11Å; L329-F333 WeakPolarHBondContact O-CD2 3.3Å; L329-F333 PolarHBondContact O-N 2.89Å; W330-F333 HydrophobicContact CE3-CD2 4.1Å; W330-F333 PolarHBondContact O-N 3.25Å; T331-F333 VanDerWaalsContact C-N 3.34Å; T331-F333 PolarHBondContact O-N 3.03Å; F333-D335 VanDerWaalsContact C-N 3.32Å; F333-D335 PolarHBondContact O-N 3Å; F333-E336 PolarHBondContact O-N 2.81Å; F333-I337 WeakPolarHBondContact O-CG1 3.41Å; F333-I337 PolarHBondContact O-N 3.38Å
334Q93.7Very high95Very high51 Ų5133.4 Ų33.424%0.23818%0.175CC..Hα-helixtrans-62.2-42176.2-69174.9-41.500111.4S142 L211 W330 T331 S332 I337 L338S142-Q334 PolarHBondContact O-NE2 3.03Å; S142-Q334 VanDerWaalsContact O-NE2 3.16Å; L211-Q334 HydrophobicContact CD1-CG 3.49Å; L211-Q334 VanDerWaalsContact CD1-CG 3.49Å; W330-Q334 PolarHBondContact O-N 3.37Å; W330-Q334 VanDerWaalsContact O-N 3.07Å; T331-Q334 WeakPolarHBondContact O-CB 3.47Å; T331-Q334 PolarHBondContact O-N 3.34Å; T331-Q334 VanDerWaalsContact O-N 3.11Å; S332-Q334 PolarHBondContact O-N 3.02Å; Q334-I337 PolarHBondContact O-N 3.39Å; Q334-L338 WeakPolarHBondContact O-CG 3.39Å; Q334-L338 PolarHBondContact O-N 3.41Å; Q334-L338 VanDerWaalsContact O-N 3.16Å
335D93.6Very high94.9Very high21 Ų2136.9 Ų36.911%0.11219%0.188CC..Hα-helixtrans-62.4-41.4176-75.8-12000111.3L98 H102 T331 S332 F333 L338 L339L98-D335 HydrophobicContact CD1-CB 4.23Å; L98-D335 HydrophobicContact CD2-CB 3.62Å; H102-D335 IonicContact CD2-OD1 2.94Å; H102-D335 IonicContact CE1-OD1 3.81Å; H102-D335 IonicContact CE1-OD2 2.84Å; H102-D335 PolarHBondContact CE1-OD2 3.03Å; H102-D335 IonicContact NE2-OD1 3.88Å; H102-D335 PolarHBondContact NE2-OD1 3.44Å; H102-D335 IonicContact NE2-OD2 3.44Å; H102-D335 PolarHBondContact NE2-OD2 2.98Å; T331-D335 PolarHBondContact O-N 3.12Å; S332-D335 PolarHBondContact O-N 3.04Å; F333-D335 VanDerWaalsContact C-N 3.32Å; F333-D335 PolarHBondContact O-N 3Å; D335-L338 PolarHBondContact O-N 3.45Å; D335-L339 PolarHBondContact O-N 3.19Å
336E95.3Very high94.8Very high2 Ų235.4 Ų35.41%0.00918%0.176CC..Hα-helixtrans-63.8-39.5175.4-67.8-60163.100113.1R94 L215 S286 E289 V290 S332 F333 L338 L339 L340R94-E336 IonicContact CZ-OE1 3.03Å; R94-E336 IonicContact CZ-OE2 3.95Å; R94-E336 IonicContact NH1-OE1 3.16Å; R94-E336 PolarHBondContact NH1-OE1 3.3Å; R94-E336 IonicContact NH1-OE2 3.97Å; R94-E336 PolarHBondContact NH1-OE2 2.67Å; R94-E336 IonicContact NH2-OE1 2.77Å; R94-E336 PolarHBondContact NH2-OE1 2.73Å; R94-E336 IonicContact NH2-OE2 3.33Å; L215-E336 HydrophobicContact CD1-CB 4.13Å; L215-E336 HydrophobicContact CD2-CB 4.04Å; S286-E336 VanDerWaalsContact CB-OE2 3.24Å; S286-E336 WeakPolarHBondContact CB-OE2 3.23Å; S286-E336 PolarHBondContact OG-OE2 3.26Å; E289-E336 WeakPolarHBondContact CB-OE1 3.39Å; V290-E336 HydrophobicContact CG2-CB 3.93Å; V290-E336 HydrophobicContact CG2-CG 3.69Å; S332-E336 WeakPolarHBondContact O-CG 3.49Å; S332-E336 PolarHBondContact O-N 3.37Å; F333-E336 PolarHBondContact O-N 2.81Å; E336-L338 VanDerWaalsContact C-N 3.31Å; E336-L338 PolarHBondContact O-N 3.39Å; E336-L339 PolarHBondContact O-N 3Å; E336-L340 WeakPolarHBondContact O-CB 3.18Å; E336-L340 PolarHBondContact O-N 3.12Å
337I94.8Very high94.7Very high20 Ų2035.9 Ų35.910%0.10318%0.179CC..Hα-helixtrans-62.1-42.3175.8-72.5175.5000110.8L211 L215 F333 Q334 L340 R341L211-I337 HydrophobicContact CB-CD1 3.91Å; L211-I337 HydrophobicContact CD1-CD1 4.2Å; L211-I337 HydrophobicContact CD2-CD1 3.55Å; L211-I337 HydrophobicContact CG-CD1 4.05Å; L215-I337 HydrophobicContact CD1-CG1 4.04Å; L215-I337 HydrophobicContact CD2-CG1 3.56Å; L215-I337 HydrophobicContact CG-CD1 4.31Å; L215-I337 HydrophobicContact CG-CG1 3.71Å; F333-I337 WeakPolarHBondContact O-CG1 3.41Å; F333-I337 PolarHBondContact O-N 3.38Å; Q334-I337 PolarHBondContact O-N 3.39Å; I337-L340 PolarHBondContact O-N 3.13Å; I337-R341 VanDerWaalsContact O-CG 3.3Å; I337-R341 WeakPolarHBondContact O-CG 3.36Å; I337-R341 PolarHBondContact O-N 3.22Å
338L92.4Very high94.5Very high64 Ų6440 Ų4034%0.33520%0.201SC..Hα-helixtrans-64.4-44.6178.5-70.4174.6000111.4Q101 Q334 D335 E336 R341 F342Q101-L338 HydrophobicContact CB-CD1 4.45Å; Q101-L338 HydrophobicContact CG-CD1 4.46Å; Q334-L338 WeakPolarHBondContact O-CG 3.39Å; Q334-L338 PolarHBondContact O-N 3.41Å; Q334-L338 VanDerWaalsContact O-N 3.16Å; D335-L338 PolarHBondContact O-N 3.45Å; E336-L338 VanDerWaalsContact C-N 3.31Å; E336-L338 PolarHBondContact O-N 3.39Å; L338-R341 PolarHBondContact O-N 3.35Å; L338-F342 WeakPolarHBondContact O-CB 3.07Å; L338-F342 PolarHBondContact O-N 3.23Å
339L93.1Very high94.4Very high3 Ų338.2 Ų38.22%0.01619%0.191CC..Hα-helixtrans-61.9-47.1176.3179.667.2000111.2R94 L97 S286 D335 E336 R341 F342 L343R94-L339 HydrophobicContact CG-CD2 4.04Å; L97-L339 HydrophobicContact CD2-CB 4.4Å; L97-L339 HydrophobicContact CD2-CD1 3.56Å; S286-L339 VanDerWaalsContact OG-CD2 3.23Å; S286-L339 WeakPolarHBondContact OG-CD2 3.14Å; D335-L339 PolarHBondContact O-N 3.19Å; E336-L339 PolarHBondContact O-N 3Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.19Å; L339-F342 HydrophobicContact CD1-CD1 4.27Å; L339-F342 WeakPolarHBondContact O-CB 3.18Å; L339-F342 PolarHBondContact O-N 3.21Å; L339-F342 VanDerWaalsContact O-N 3.1Å; L339-L343 HydrophobicContact CD1-CD1 4.26Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 4.18Å; L339-L343 HydrophobicContact CD2-CD1 4.39Å; L339-L343 HydrophobicContact CG-CD1 3.91Å; L339-L343 HydrophobicContact CG-CG 4.23Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.07Å
340L95.1Very high94.3Very high11 Ų1137.4 Ų37.46%0.05819%0.186CC..Hα-helixtrans-60.5-43.2-179.3-170.965.8000111.7L215 A218 I219 A222 V283 E336 I337 F342 L343 T344L215-L340 HydrophobicContact CD2-CD2 4.44Å; A218-L340 HydrophobicContact CB-CD2 3.52Å; I219-L340 HydrophobicContact CG1-CD1 4.24Å; I219-L340 HydrophobicContact CG1-CD2 3.79Å; A222-L340 HydrophobicContact CB-CD1 3.71Å; A222-L340 HydrophobicContact CB-CG 4.49Å; V283-L340 HydrophobicContact CG1-CD1 4.34Å; V283-L340 HydrophobicContact CG2-CD1 4.32Å; E336-L340 WeakPolarHBondContact O-CB 3.18Å; E336-L340 PolarHBondContact O-N 3.12Å; I337-L340 PolarHBondContact O-N 3.13Å; L340-F342 VanDerWaalsContact C-N 3.31Å; L340-F342 PolarHBondContact O-N 2.8Å; L340-L343 PolarHBondContact O-N 3.43Å; L340-T344 PolarHBondContact O-N 3.27Å; L340-T344 PolarHBondContact O-OG1 3.15Å; L340-T344 VanDerWaalsContact O-OG1 3.04Å
341R93.7Very high94.2Very high172 Ų17242.8 Ų42.865%0.64921%0.212SC*.Hα-helixtrans-59.7-42.2174.4-74.6173.9-178.9173.42.9112.2I337 L338 L339 H345I337-R341 VanDerWaalsContact O-CG 3.3Å; I337-R341 WeakPolarHBondContact O-CG 3.36Å; I337-R341 PolarHBondContact O-N 3.22Å; L338-R341 PolarHBondContact O-N 3.35Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.19Å; R341-H345 VanDerWaalsContact O-CB 3.31Å; R341-H345 WeakPolarHBondContact O-CB 3.39Å; R341-H345 PolarHBondContact O-N 3.37Å
342F93.6Very high94.2Very high38 Ų3845.4 Ų45.417%0.16722%0.221CC..Hα-helixtrans-61.8-48.1175.8167.3-97.3000111.5N90 L97 L338 L339 L340 H345 M346N90-F342 VanDerWaalsContact O-CE2 3.29Å; N90-F342 WeakPolarHBondContact O-CE2 3.41Å; N90-F342 VanDerWaalsContact O-CZ 3.22Å; N90-F342 WeakPolarHBondContact O-CZ 3.49Å; L97-F342 HydrophobicContact CD1-CD2 4.1Å; L97-F342 HydrophobicContact CD1-CE2 4.49Å; L97-F342 HydrophobicContact CD1-CG 4.22Å; L97-F342 HydrophobicContact CD2-CB 3.86Å; L97-F342 HydrophobicContact CD2-CD1 3.8Å; L97-F342 HydrophobicContact CD2-CD2 4.48Å; L97-F342 HydrophobicContact CD2-CG 3.78Å; L338-F342 WeakPolarHBondContact O-CB 3.07Å; L338-F342 PolarHBondContact O-N 3.23Å; L339-F342 HydrophobicContact CD1-CD1 4.27Å; L339-F342 WeakPolarHBondContact O-CB 3.18Å; L339-F342 PolarHBondContact O-N 3.21Å; L339-F342 VanDerWaalsContact O-N 3.1Å; L340-F342 VanDerWaalsContact C-N 3.31Å; L340-F342 PolarHBondContact O-N 2.8Å; F342-H345 PolarHBondContact O-N 2.98Å; F342-M346 HydrophobicContact CD2-CG 4.47Å; F342-M346 HydrophobicContact CE1-CG 4.15Å; F342-M346 HydrophobicContact CE2-CG 4.01Å; F342-M346 HydrophobicContact CE2-SD 4.39Å; F342-M346 HydrophobicContact CZ-CG 3.84Å; F342-M346 HydrophobicContact CZ-SD 4.35Å; F342-M346 WeakPolarHBondContact O-CG 3.29Å; F342-M346 PolarHBondContact O-N 3.33Å
343L93.8Very high94.2Very high2 Ų244.2 Ų44.21%0.0121%0.21CC..Hα-helixtrans-62.3-46.7179.1-64.9173.3000111.4L279 D282 V283 L339 L340 H345 M346 T347L279-L343 HydrophobicContact CD2-CD2 3.61Å; D282-L343 HydrophobicContact CB-CD1 3.82Å; D282-L343 HydrophobicContact CB-CD2 3.91Å; V283-L343 HydrophobicContact CG2-CB 4.26Å; V283-L343 HydrophobicContact CG2-CD1 3.62Å; L339-L343 HydrophobicContact CD1-CD1 4.26Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 4.18Å; L339-L343 HydrophobicContact CD2-CD1 4.39Å; L339-L343 HydrophobicContact CG-CD1 3.91Å; L339-L343 HydrophobicContact CG-CG 4.23Å; L339-L343 WeakPolarHBondContact O-CG 3.37Å; L339-L343 PolarHBondContact O-N 3.07Å; L340-L343 PolarHBondContact O-N 3.43Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.46Å; L343-M346 WeakPolarHBondContact O-CB 3.45Å; L343-M346 PolarHBondContact O-N 3.02Å; L343-T347 PolarHBondContact O-N 3.37Å; L343-T347 PolarHBondContact O-OG1 3.14Å; L343-T347 VanDerWaalsContact O-OG1 3.09Å
344T94.1Very high94.1Very high52 Ų5245 Ų4532%0.31922%0.215SC..Hα-helixtrans-61.5-40176.3-56.30000112L340 T347 N348L340-T344 PolarHBondContact O-N 3.27Å; L340-T344 PolarHBondContact O-OG1 3.15Å; L340-T344 VanDerWaalsContact O-OG1 3.04Å; T344-T347 PolarHBondContact O-N 2.93Å; T344-N348 VanDerWaalsContact O-CG 3.27Å; T344-N348 PolarHBondContact O-N 3.09Å; T344-N348 VanDerWaalsContact O-N 3.08Å; T344-N348 PolarHBondContact O-ND2 3.24Å
345H93.9Very high94Very high106 Ų10648 Ų4849%0.49123%0.228SC..Hα-helixtrans-63.8-42.1175.8-175.562.4000112R341 F342 L343 N348 N349R341-H345 VanDerWaalsContact O-CB 3.31Å; R341-H345 WeakPolarHBondContact O-CB 3.39Å; R341-H345 PolarHBondContact O-N 3.37Å; F342-H345 PolarHBondContact O-N 2.98Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.46Å; H345-N348 PolarHBondContact O-N 3.17Å; H345-N349 PolarHBondContact CD2-ND2 2.87Å; H345-N349 PolarHBondContact CE1-ND2 3.32Å; H345-N349 PolarHBondContact NE2-ND2 3.34Å; H345-N349 PolarHBondContact O-N 3.01Å
346M94.1Very high93.9Very high2 Ų247.6 Ų47.61%0.0123%0.226CC..Hα-helixtrans-59.8-48.7174.3-74.3-68.2-71.400111.4Y86 F87 N90 L279 F342 L343 N348 N349 L350Y86-M346 HydrophobicContact CD1-CE 4.45Å; Y86-M346 HydrophobicContact CE1-CE 3.8Å; Y86-M346 HydrophobicContact CE1-SD 3.64Å; Y86-M346 PolarHBondContact OH-SD 2.93Å; F87-M346 HydrophobicContact CD2-CE 3.74Å; F87-M346 HydrophobicContact CE2-CE 4.09Å; F87-M346 HydrophobicContact CG-CE 4.38Å; N90-M346 HydrophobicContact CB-CE 4.19Å; N90-M346 HydrophobicContact CB-SD 3.71Å; L279-M346 HydrophobicContact CD1-CB 4.06Å; L279-M346 HydrophobicContact CD2-CB 4.18Å; F342-M346 HydrophobicContact CD2-CG 4.47Å; F342-M346 HydrophobicContact CE1-CG 4.15Å; F342-M346 HydrophobicContact CE2-CG 4.01Å; F342-M346 HydrophobicContact CE2-SD 4.39Å; F342-M346 HydrophobicContact CZ-CG 3.84Å; F342-M346 HydrophobicContact CZ-SD 4.35Å; F342-M346 WeakPolarHBondContact O-CG 3.29Å; F342-M346 PolarHBondContact O-N 3.33Å; L343-M346 WeakPolarHBondContact O-CB 3.45Å; L343-M346 PolarHBondContact O-N 3.02Å; M346-N348 PolarHBondContact O-N 3.22Å; M346-N349 PolarHBondContact O-N 3.48Å; M346-L350 VanDerWaalsContact O-CG 3.27Å; M346-L350 WeakPolarHBondContact O-CG 3.48Å; M346-L350 PolarHBondContact O-N 2.91Å
347T94.5Very high93.6Very high11 Ų1147.8 Ų47.87%0.06723%0.228CC..Hα-helixtrans-54.6-49.8177.5-55.70000111.8L226 L276 L343 T344 N349 L350 Q351L226-T347 HydrophobicContact CD2-CG2 3.72Å; L226-T347 WeakPolarHBondContact CD2-OG1 3.47Å; L226-T347 HydrophobicContact CG-CG2 4.37Å; L276-T347 HydrophobicContact CD2-CG2 4.1Å; L343-T347 PolarHBondContact O-N 3.37Å; L343-T347 PolarHBondContact O-OG1 3.14Å; L343-T347 VanDerWaalsContact O-OG1 3.09Å; T344-T347 PolarHBondContact O-N 2.93Å; T347-N349 VanDerWaalsContact C-N 3.34Å; T347-N349 PolarHBondContact O-N 3.4Å; T347-L350 PolarHBondContact O-N 3.2Å; T347-Q351 PolarHBondContact O-N 3.45Å
348N93.3Very high93.4Very high92 Ų9249.7 Ų49.749%0.49224%0.242SC..Hα-helixtrans-62.3-41.2-179.2-67.5-15.6000112.2T344 H345 M346T344-N348 VanDerWaalsContact O-CG 3.27Å; T344-N348 PolarHBondContact O-N 3.09Å; T344-N348 VanDerWaalsContact O-N 3.08Å; T344-N348 PolarHBondContact O-ND2 3.24Å; H345-N348 PolarHBondContact O-N 3.17Å; M346-N348 PolarHBondContact O-N 3.22Å
349N94.3Very high93.3Very high40 Ų4052.6 Ų52.621%0.21425%0.254CS..Hα-helixtrans-73.7-26.9179-70.3-15000112.6Y86 H345 M346 T347 Q352 F353Y86-N349 HydrophobicContact CE1-CB 3.97Å; Y86-N349 HydrophobicContact CE2-CB 4.21Å; Y86-N349 VanDerWaalsContact OH-CB 3.31Å; Y86-N349 WeakPolarHBondContact OH-CB 3.48Å; Y86-N349 PolarHBondContact OH-ND2 3.36Å; H345-N349 PolarHBondContact CD2-ND2 2.87Å; H345-N349 PolarHBondContact CE1-ND2 3.32Å; H345-N349 PolarHBondContact NE2-ND2 3.34Å; H345-N349 PolarHBondContact O-N 3.01Å; M346-N349 PolarHBondContact O-N 3.48Å; T347-N349 VanDerWaalsContact C-N 3.34Å; T347-N349 PolarHBondContact O-N 3.4Å; N349-Q352 VanDerWaalsContact O-CD 3.25Å; N349-Q352 WeakPolarHBondContact O-CG 3.39Å; N349-Q352 PolarHBondContact O-NE2 2.85Å; N349-F353 WeakPolarHBondContact O-CE2 3.23Å
350L95.3Very high93.2Very high0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-71.5-34.5176.8-72.2171.5000111.8M83 Y86 F87 Y272 F275 L279 M346 T347 Q352 F353M83-L350 HydrophobicContact CG-CD2 3.58Å; M83-L350 HydrophobicContact SD-CD2 4.27Å; Y86-L350 HydrophobicContact CD1-CD2 3.84Å; Y86-L350 HydrophobicContact CE1-CD2 4.17Å; Y86-L350 HydrophobicContact CE1-CG 4.4Å; F87-L350 HydrophobicContact CD2-CD1 4.04Å; F87-L350 HydrophobicContact CD2-CD2 4.19Å; F87-L350 HydrophobicContact CE2-CD1 4.28Å; Y272-L350 HydrophobicContact CD2-CB 3.92Å; Y272-L350 HydrophobicContact CE2-CB 3.56Å; F275-L350 HydrophobicContact CB-CD1 3.96Å; F275-L350 HydrophobicContact CD2-CD2 4.19Å; L279-L350 HydrophobicContact CD1-CD1 3.76Å; M346-L350 VanDerWaalsContact O-CG 3.27Å; M346-L350 WeakPolarHBondContact O-CG 3.48Å; M346-L350 PolarHBondContact O-N 2.91Å; T347-L350 PolarHBondContact O-N 3.2Å; L350-Q352 PolarHBondContact O-N 2.91Å; L350-Q352 VanDerWaalsContact O-N 3.14Å; L350-F353 HydrophobicContact CD2-CD2 4.44Å; L350-F353 WeakPolarHBondContact O-CD2 3.46Å; L350-F353 PolarHBondContact O-N 2.96Å; L350-F353 VanDerWaalsContact O-N 3.08Å
351Q94.2Very high93Very high120 Ų12055.5 Ų55.556%0.56127%0.269SS*.Hα-helixtrans-56.8-31.6-180-172.1178.7500113.2T347 F353 L354T347-Q351 PolarHBondContact O-N 3.45Å; Q351-F353 PolarHBondContact O-N 3.28Å; Q351-F353 VanDerWaalsContact O-N 3.16Å; Q351-L354 WeakPolarHBondContact O-CB 3.46Å; Q351-L354 PolarHBondContact O-N 3.15Å; Q351-L354 VanDerWaalsContact O-N 3.15Å
352Q93.6Very high92.9Very high102 Ų10249.4 Ų49.448%0.47725%0.252SS..G310 helixtrans-61.7-24.3-179.983.7-164.1-4400113N349 L350 L354 E355N349-Q352 VanDerWaalsContact O-CD 3.25Å; N349-Q352 WeakPolarHBondContact O-CG 3.39Å; N349-Q352 PolarHBondContact O-NE2 2.85Å; L350-Q352 PolarHBondContact O-N 2.91Å; L350-Q352 VanDerWaalsContact O-N 3.14Å; Q352-L354 PolarHBondContact O-N 3.3Å; Q352-E355 WeakPolarHBondContact O-CB 3.5Å; Q352-E355 PolarHBondContact O-N 3.37Å
353F95.1Very high92.8Very high19 Ų1955 Ų558%0.08328%0.279CS..G310 helixtrans-825.7-179.4-56.5-64.2000113.8D79 K82 M83 Y86 N268 N349 L350 Q351D79-F353 HydrophobicContact CB-CB 4.35Å; D79-F353 WeakPolarHBondContact CB-O 3.44Å; K82-F353 HydrophobicContact CB-CD1 3.86Å; K82-F353 HydrophobicContact CB-CE1 3.57Å; K82-F353 HydrophobicContact CB-CZ 4.4Å; K82-F353 HydrophobicContact CD-CE1 4.42Å; M83-F353 HydrophobicContact CB-CB 3.8Å; M83-F353 HydrophobicContact CB-CD1 4.39Å; M83-F353 HydrophobicContact CB-CD2 3.56Å; M83-F353 HydrophobicContact CB-CE2 4.23Å; M83-F353 HydrophobicContact CB-CG 3.66Å; M83-F353 HydrophobicContact CG-CB 4.15Å; M83-F353 HydrophobicContact CG-CD2 3.62Å; M83-F353 HydrophobicContact CG-CE2 4.35Å; M83-F353 HydrophobicContact CG-CG 4.12Å; M83-F353 HydrophobicContact SD-CB 4.06Å; M83-F353 HydrophobicContact SD-CD2 4.34Å; Y86-F353 HydrophobicContact CD1-CE2 4.01Å; Y86-F353 HydrophobicContact CD2-CZ 4.49Å; Y86-F353 AromaticContact CG-CE2 3.92Å; Y86-F353 HydrophobicContact CG-CE2 3.92Å; Y86-F353 HydrophobicContact CG-CZ 4.07Å; N268-F353 PolarHBondContact ND2-O 3.22Å; N268-F353 PolarHBondContact OD1-O 2.94Å; N349-F353 WeakPolarHBondContact O-CE2 3.23Å; L350-F353 HydrophobicContact CD2-CD2 4.44Å; L350-F353 WeakPolarHBondContact O-CD2 3.46Å; L350-F353 PolarHBondContact O-N 2.96Å; L350-F353 VanDerWaalsContact O-N 3.08Å; Q351-F353 PolarHBondContact O-N 3.28Å; Q351-F353 VanDerWaalsContact O-N 3.16Å
354L94.1Very high92.6Very high18 Ų1861.9 Ų61.99%0.09431%0.311CS..G310 helixtrans-97.4-1.5170.7-63.8-174.7000113.1N268 Y272 Q351 Q352 Q357 S358N268-L354 WeakPolarHBondContact OD1-CD2 3.15Å; Y272-L354 HydrophobicContact CD1-CD1 3.54Å; Y272-L354 HydrophobicContact CD1-CD2 3.98Å; Y272-L354 HydrophobicContact CD1-CG 4.04Å; Y272-L354 HydrophobicContact CE1-CD1 3.46Å; Y272-L354 VanDerWaalsContact CE1-CD1 3.46Å; Y272-L354 HydrophobicContact CE1-CG 4.27Å; Y272-L354 HydrophobicContact CG-CD1 4.28Å; Y272-L354 HydrophobicContact CG-CD2 4.07Å; Y272-L354 HydrophobicContact CG-CG 4.3Å; Q351-L354 WeakPolarHBondContact O-CB 3.46Å; Q351-L354 PolarHBondContact O-N 3.15Å; Q351-L354 VanDerWaalsContact O-N 3.15Å; Q352-L354 PolarHBondContact O-N 3.3Å; L354-Q357 HydrophobicContact CB-CG 4.46Å; L354-Q357 HydrophobicContact CD2-CG 4.45Å; L354-Q357 VanDerWaalsContact O-CG 3.31Å; L354-Q357 WeakPolarHBondContact O-CG 3.34Å; L354-Q357 PolarHBondContact O-N 3.09Å; L354-Q357 PolarHBondContact O-NE2 3.01Å; L354-Q357 VanDerWaalsContact O-NE2 3.17Å; L354-S358 PolarHBondContact O-N 3.41Å; L354-S358 VanDerWaalsContact O-N 3.11Å; L354-S358 PolarHBondContact O-OG 2.94Å
355E91.8Very high92.5Very high113 Ų11362.1 Ų62.153%0.52831%0.312SS..Hα-helixtrans-64.9-45.5-171.8-171.3179.5177.900112.6Q352 Q357 S358 Q359Q352-E355 WeakPolarHBondContact O-CB 3.5Å; Q352-E355 PolarHBondContact O-N 3.37Å; E355-Q357 VanDerWaalsContact C-N 3.35Å; E355-Q357 PolarHBondContact O-N 2.85Å; E355-S358 PolarHBondContact O-N 3.44Å; E355-S358 PolarHBondContact O-OG 3.44Å; E355-Q359 VanDerWaalsContact O-CG 3.31Å; E355-Q359 WeakPolarHBondContact O-CG 3.12Å; E355-Q359 PolarHBondContact O-N 2.98Å; E355-Q359 PolarHBondContact OE1-NE2 3.34Å; E355-Q359 VanDerWaalsContact OE1-NE2 3.12Å
356T91Very high92.4Very high12 Ų1257.7 Ų57.77%0.07429%0.292CS..Hα-helixtrans-65.2-39.6-178.7-56.70000111.8T73 T74 P76 D79 Q359 L360T73-T356 PolarHBondContact O-OG1 3.37Å; T74-T356 VanDerWaalsContact O-CG2 3.31Å; T74-T356 WeakPolarHBondContact O-CG2 3.46Å; P76-T356 HydrophobicContact CG-CG2 4.29Å; D79-T356 WeakPolarHBondContact OD2-CB 3.47Å; D79-T356 PolarHBondContact OD2-OG1 3.22Å; T356-Q359 PolarHBondContact O-N 2.83Å; T356-L360 HydrophobicContact CG2-CD1 4.23Å; T356-L360 WeakPolarHBondContact O-CB 3.47Å; T356-L360 WeakPolarHBondContact O-CG 3.38Å; T356-L360 PolarHBondContact O-N 3.46Å
357Q90.6Very high92.3Very high7 Ų761.8 Ų61.83%0.03332%0.317CS..Hα-helixtrans-68.6-37.5178.473.47438.200111.8P76 Y240 A265 N268 L354 E355 Q359 L360 F361P76-Q357 HydrophobicContact CB-CB 4.31Å; P76-Q357 HydrophobicContact CG-CB 4.1Å; Y240-Q357 PolarHBondContact OH-OE1 3.43Å; A265-Q357 HydrophobicContact CB-CB 4.27Å; N268-Q357 WeakPolarHBondContact OD1-CG 3.47Å; L354-Q357 HydrophobicContact CB-CG 4.46Å; L354-Q357 HydrophobicContact CD2-CG 4.45Å; L354-Q357 VanDerWaalsContact O-CG 3.31Å; L354-Q357 WeakPolarHBondContact O-CG 3.34Å; L354-Q357 PolarHBondContact O-N 3.09Å; L354-Q357 PolarHBondContact O-NE2 3.01Å; L354-Q357 VanDerWaalsContact O-NE2 3.17Å; E355-Q357 VanDerWaalsContact C-N 3.35Å; E355-Q357 PolarHBondContact O-N 2.85Å; Q357-Q359 VanDerWaalsContact C-N 3.34Å; Q357-Q359 PolarHBondContact O-N 2.94Å; Q357-L360 PolarHBondContact O-N 3.41Å; Q357-F361 PolarHBondContact O-N 3.46Å
358S89.4Confident92.2Very high59 Ų5965 Ų6541%0.41334%0.34SS..Hα-helixtrans-69.8-31.8177.964.90000112.5L354 E355 F361L354-S358 PolarHBondContact O-N 3.41Å; L354-S358 VanDerWaalsContact O-N 3.11Å; L354-S358 PolarHBondContact O-OG 2.94Å; E355-S358 PolarHBondContact O-N 3.44Å; E355-S358 PolarHBondContact O-OG 3.44Å; S358-F361 CarbonylContact O-C 3Å
359Q91.6Very high92Very high126 Ų12661.2 Ų61.259%0.58932%0.32SS*.Hα-helixtrans-70-37.2171.9-70.8177.810.400112.7E355 T356 Q357 P362E355-Q359 VanDerWaalsContact O-CG 3.31Å; E355-Q359 WeakPolarHBondContact O-CG 3.12Å; E355-Q359 PolarHBondContact O-N 2.98Å; E355-Q359 PolarHBondContact OE1-NE2 3.34Å; E355-Q359 VanDerWaalsContact OE1-NE2 3.12Å; T356-Q359 PolarHBondContact O-N 2.83Å; Q357-Q359 VanDerWaalsContact C-N 3.34Å; Q357-Q359 PolarHBondContact O-N 2.94Å; Q359-P362 WeakPolarHBondContact O-CD 3.4Å
360L89.3Confident91.9Very high66 Ų6660.5 Ų60.535%0.34632%0.316SS..Hα-helixtrans-74.2-34.8178.3-75.3175.4000113T74 P76 T356 Q357 P362T74-L360 WeakPolarHBondContact O-CD1 3.4Å; P76-L360 HydrophobicContact CG-CD1 3.69Å; T356-L360 HydrophobicContact CG2-CD1 4.23Å; T356-L360 WeakPolarHBondContact O-CB 3.47Å; T356-L360 WeakPolarHBondContact O-CG 3.38Å; T356-L360 PolarHBondContact O-N 3.46Å; Q357-L360 PolarHBondContact O-N 3.41Å; L360-P362 VanDerWaalsContact C-CD 3.43Å
361F91.8Very high91.7Very high8 Ų867.6 Ų67.64%0.03535%0.349CS..SBendtrans-127.768.4-176.9-54.4-76.4000111.9Y240 F260 L262 A265 Q357 S358 L369Y240-F361 HydrophobicContact CE1-CB 4.08Å; Y240-F361 HydrophobicContact CE1-CD1 4.29Å; Y240-F361 AromaticContact CE1-CD2 3.79Å; Y240-F361 HydrophobicContact CE1-CD2 3.79Å; Y240-F361 HydrophobicContact CE1-CE2 4.3Å; Y240-F361 AromaticContact CE1-CG 3.79Å; Y240-F361 HydrophobicContact CE1-CG 3.79Å; Y240-F361 AromaticContact CZ-CD2 3.94Å; Y240-F361 WeakPolarHBondContact OH-CB 3.45Å; Y240-F361 WeakPolarHBondContact OH-CD2 3.36Å; F260-F361 HydrophobicContact CB-CE1 4.13Å; F260-F361 HydrophobicContact CB-CZ 4.13Å; F260-F361 AromaticContact CD1-CE1 3.85Å; F260-F361 HydrophobicContact CD1-CE1 3.85Å; F260-F361 HydrophobicContact CD1-CZ 4.41Å; F260-F361 HydrophobicContact CG-CE1 4.35Å; L262-F361 HydrophobicContact CD2-CD1 4.33Å; L262-F361 HydrophobicContact CD2-CE1 3.58Å; L262-F361 HydrophobicContact CD2-CE2 4.5Å; L262-F361 HydrophobicContact CD2-CZ 3.67Å; L262-F361 HydrophobicContact CG-CE1 4.31Å; L262-F361 HydrophobicContact CG-CZ 4.16Å; A265-F361 HydrophobicContact CB-CD2 4.13Å; A265-F361 HydrophobicContact CB-CE2 3.7Å; Q357-F361 PolarHBondContact O-N 3.46Å; S358-F361 CarbonylContact O-C 3Å; F361-L369 HydrophobicContact CD1-CD1 4.4Å; F361-L369 HydrophobicContact CE1-CD1 4.48Å
362P92.1Very high91.3Very high45 Ų4565.8 Ų65.829%0.29236%0.362SS..  trans-56.1155.4166.3-22.133000111.2Q359 L360 E364 V365 L366Q359-P362 WeakPolarHBondContact O-CD 3.4Å; L360-P362 VanDerWaalsContact C-CD 3.43Å; P362-E364 WeakPolarHBondContact CB-OE2 3.3Å; P362-E364 PolarHBondContact O-N 3.16Å; P362-E364 VanDerWaalsContact O-N 3.15Å; P362-V365 HydrophobicContact CB-CG2 4.42Å; P362-V365 HydrophobicContact CG-CG2 4.28Å; P362-V365 PolarHBondContact O-N 2.95Å; P362-L366 PolarHBondContact O-N 3.25Å
363E90.1Very high91.2Very high155 Ų15562.3 Ų62.372%0.72435%0.348SS*.Hα-helixtrans-54.9-37.7-175.6-170.8177.6174.300112.4L366 T367E363-L366 PolarHBondContact O-N 3.11Å; E363-T367 VanDerWaalsContact O-CB 3.29Å; E363-T367 WeakPolarHBondContact O-CB 3.45Å; E363-T367 PolarHBondContact O-N 3.41Å; E363-T367 PolarHBondContact O-OG1 2.87Å
364E91.2Very high91Very high146 Ų14666.8 Ų66.868%0.68238%0.377SS*.Hα-helixtrans-67.4-41.4179.1-55.781.9-178.900112.1P362 S368P362-E364 WeakPolarHBondContact CB-OE2 3.3Å; P362-E364 PolarHBondContact O-N 3.16Å; P362-E364 VanDerWaalsContact O-N 3.15Å; E364-S368 PolarHBondContact O-N 3.26Å; E364-S368 VanDerWaalsContact O-N 3.08Å
365V90.9Very high91Very high58 Ų5868.5 Ų68.535%0.35239%0.388SS..Hα-helixtrans-66.9-47.9177.3177.70000109.4P362 T367 S368 L369P362-V365 HydrophobicContact CB-CG2 4.42Å; P362-V365 HydrophobicContact CG-CG2 4.28Å; P362-V365 PolarHBondContact O-N 2.95Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.31Å; V365-S368 PolarHBondContact O-N 3.27Å; V365-L369 HydrophobicContact CG1-CD1 4.05Å; V365-L369 HydrophobicContact CG1-CG 4.36Å; V365-L369 VanDerWaalsContact O-CG 3.31Å; V365-L369 WeakPolarHBondContact O-CG 3.44Å; V365-L369 PolarHBondContact O-N 3.49Å
366L91.9Very high91.1Very high12 Ų1266.1 Ų66.16%0.06338%0.376CS..Hα-helixtrans-60-45179.9-169.363.4000111.1L236 C239 Y240 L243 P362 E363 S368 L369 L370L236-L366 HydrophobicContact CD2-CD2 3.91Å; C239-L366 HydrophobicContact CB-CD1 4.17Å; C239-L366 HydrophobicContact CB-CD2 3.9Å; C239-L366 HydrophobicContact CB-CG 4.26Å; Y240-L366 HydrophobicContact CD1-CD1 4.26Å; Y240-L366 HydrophobicContact CE1-CD1 3.95Å; L243-L366 HydrophobicContact CD1-CD1 3.92Å; P362-L366 PolarHBondContact O-N 3.25Å; E363-L366 PolarHBondContact O-N 3.11Å; L366-S368 VanDerWaalsContact C-N 3.34Å; L366-S368 PolarHBondContact O-N 2.76Å; L366-L369 PolarHBondContact O-N 3.23Å; L366-L370 HydrophobicContact CD1-CD1 4.38Å; L366-L370 HydrophobicContact CG-CD1 3.92Å; L366-L370 WeakPolarHBondContact O-CB 3.36Å; L366-L370 VanDerWaalsContact O-CG 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 3.45Å
367T92.3Very high91.2Very high88 Ų8867 Ų6754%0.5438%0.383SS..Hα-helixtrans-59-43.5176.4-57.10000111.9E363 V365 L370 E371E363-T367 VanDerWaalsContact O-CB 3.29Å; E363-T367 WeakPolarHBondContact O-CB 3.45Å; E363-T367 PolarHBondContact O-N 3.41Å; E363-T367 PolarHBondContact O-OG1 2.87Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.31Å; T367-L370 PolarHBondContact O-N 3.21Å; T367-E371 PolarHBondContact O-N 3.37Å
368S91.3Very high91.3Very high78 Ų7867.7 Ų67.755%0.54539%0.387SS..Hα-helixtrans-65.3-40.4177.2179.20000112.6E364 V365 L366 L370 E371E364-S368 PolarHBondContact O-N 3.26Å; E364-S368 VanDerWaalsContact O-N 3.08Å; V365-S368 PolarHBondContact O-N 3.27Å; L366-S368 VanDerWaalsContact C-N 3.34Å; L366-S368 PolarHBondContact O-N 2.76Å; S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 2.56Å; S368-E371 WeakPolarHBondContact O-CB 3.24Å; S368-E371 PolarHBondContact O-N 2.91Å
369L90.7Very high91.4Very high14 Ų1469.9 Ų69.97%0.07339%0.391CS..Hα-helixtrans-66.8-33.2178.1-65.8177.2000112L243 R253 L257 F361 V365 L366 E371L243-L369 HydrophobicContact CD1-CB 4.2Å; L243-L369 HydrophobicContact CD2-CB 3.98Å; L243-L369 WeakPolarHBondContact CD2-O 3.19Å; R253-L369 PolarHBondContact NH1-O 3.38Å; L257-L369 HydrophobicContact CD2-CD1 4.47Å; L257-L369 HydrophobicContact CD2-CD2 3.82Å; F361-L369 HydrophobicContact CD1-CD1 4.4Å; F361-L369 HydrophobicContact CE1-CD1 4.48Å; V365-L369 HydrophobicContact CG1-CD1 4.05Å; V365-L369 HydrophobicContact CG1-CG 4.36Å; V365-L369 VanDerWaalsContact O-CG 3.31Å; V365-L369 WeakPolarHBondContact O-CG 3.44Å; V365-L369 PolarHBondContact O-N 3.49Å; L366-L369 PolarHBondContact O-N 3.23Å; L369-E371 VanDerWaalsContact C-N 3.28Å; L369-E371 PolarHBondContact O-N 2.99Å
370L92.4Very high91.4Very high25 Ų2568 Ų6813%0.13138%0.382CS..THydrogen-bonded Turntrans-79.7-2.8179.3-71.1170.3000114.1C239 L243 L366 T367 S368 G372 V373 V375C239-L370 HydrophobicContact CB-CD1 3.89Å; C239-L370 HydrophobicContact CB-CD2 4.49Å; L243-L370 HydrophobicContact CD1-CD2 4.31Å; L243-L370 HydrophobicContact CD2-CD2 3.79Å; L243-L370 HydrophobicContact CD2-CG 4.31Å; L243-L370 HydrophobicContact CG-CD2 3.71Å; L243-L370 HydrophobicContact CG-CG 4.4Å; L366-L370 HydrophobicContact CD1-CD1 4.38Å; L366-L370 HydrophobicContact CG-CD1 3.92Å; L366-L370 WeakPolarHBondContact O-CB 3.36Å; L366-L370 VanDerWaalsContact O-CG 3.23Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 3.45Å; T367-L370 PolarHBondContact O-N 3.21Å; S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 2.56Å; L370-G372 PolarHBondContact O-N 3.37Å; L370-G372 VanDerWaalsContact O-N 3.11Å; L370-V373 HydrophobicContact CD2-CB 4.4Å; L370-V373 HydrophobicContact CD2-CG1 4.45Å; L370-V373 WeakPolarHBondContact O-CB 3.23Å; L370-V373 PolarHBondContact O-N 3.43Å; L370-V375 HydrophobicContact CD1-CG2 4.06Å; L370-V375 HydrophobicContact CD2-CG2 3.61Å; L370-V375 HydrophobicContact CG-CG2 4.35Å
371E90.5Very high91.6Very high148 Ų14866 Ų6669%0.69237%0.37SS*.THydrogen-bonded Turntrans-58.6120.1-179.5-161.1174.8-162.900110.6R253 T367 S368 L369R253-E371 PolarHBondContact NH2-O 3.17Å; T367-E371 PolarHBondContact O-N 3.37Å; S368-E371 WeakPolarHBondContact O-CB 3.24Å; S368-E371 PolarHBondContact O-N 2.91Å; L369-E371 VanDerWaalsContact C-N 3.28Å; L369-E371 PolarHBondContact O-N 2.99Å
372G85.4Confident91.5Very high82 Ų8268.2 Ų68.285%0.84538%0.381SS*.THydrogen-bonded Turntrans78.310.1-175.700000115.8L370L370-G372 PolarHBondContact O-N 3.37Å; L370-G372 VanDerWaalsContact O-N 3.11Å
373V91.6Very high91.5Very high30 Ų3074.1 Ų74.118%0.18240%0.398CS..  trans-107.5128.6175.4-177.40000109.9A242 L370 V375A242-V373 HydrophobicContact CB-CG1 3.86Å; L370-V373 HydrophobicContact CD2-CB 4.4Å; L370-V373 HydrophobicContact CD2-CG1 4.45Å; L370-V373 WeakPolarHBondContact O-CB 3.23Å; L370-V373 PolarHBondContact O-N 3.43Å; V373-V375 PolarHBondContact O-N 2.77Å
374T91.5Very high91.4Very high113 Ų11372.2 Ų72.269%0.69339%0.389SS*.  trans-79.3108.2173.4-55.30000109.7K376T374-K376 HydrophobicContact CG2-CG 4.27Å
375V94.1Very high91.3Very high54 Ų5466.3 Ų66.333%0.32736%0.363SS..  trans-80123.3171.8-175.80000108.9P238 A242 L370 V373P238-V375 HydrophobicContact CB-CG1 3.64Å; A242-V375 HydrophobicContact CB-CG2 4.2Å; L370-V375 HydrophobicContact CD1-CG2 4.06Å; L370-V375 HydrophobicContact CD2-CG2 3.61Å; L370-V375 HydrophobicContact CG-CG2 4.35Å; V373-V375 PolarHBondContact O-N 2.77Å
376K93.3Very high90.8Very high63 Ų6369.1 Ų69.127%0.27437%0.374SS..  trans-111140.9174.6-58.2-176.8-175-173.70109.6P238 T374 E380 R381 E384P238-K376 WeakPolarHBondContact CB-O 3.22Å; T374-K376 HydrophobicContact CG2-CG 4.27Å; K376-E380 VanDerWaalsContact CA-OE2 3.23Å; K376-E380 WeakPolarHBondContact CA-OE2 3.46Å; K376-E380 HydrophobicContact CB-CB 4.29Å; K376-R381 HydrophobicContact CB-CG 4.16Å; K376-R381 VanDerWaalsContact O-CZ 3.32Å; K376-R381 PolarHBondContact O-NH1 3.42Å; K376-R381 PolarHBondContact O-NH2 2.86Å; K376-E384 WeakPolarHBondContact CD-OE1 3.31Å; K376-E384 VanDerWaalsContact CE-OE1 3.3Å; K376-E384 WeakPolarHBondContact CE-OE1 3.48Å; K376-E384 IonicContact NZ-OE1 3.56Å; K376-E384 PolarHBondContact NZ-OE1 3.16Å; K376-E384 IonicContact NZ-OE2 3.68Å; K376-E384 PolarHBondContact NZ-OE2 3.34Å
377S93.7Very high90.3Very high31 Ų3173.3 Ų73.322%0.21741%0.41CS..  trans-71.4168.6169.393.80000111.3E379 E380 R381S377-E379 VanDerWaalsContact C-N 3.34Å; S377-E379 WeakPolarHBondContact CB-OE2 3.44Å; S377-E379 PolarHBondContact OG-N 2.97Å; S377-E379 PolarHBondContact OG-OE2 3.42Å; S377-E380 PolarHBondContact N-OE2 3.06Å; S377-E380 PolarHBondContact O-N 3.39Å; S377-E380 PolarHBondContact OG-N 3.13Å; S377-E380 VanDerWaalsContact OG-N 3.14Å; S377-R381 WeakPolarHBondContact O-CG 3.46Å; S377-R381 PolarHBondContact O-N 3.43Å
378D91.9Very high89.9Confident21 Ų2171.6 Ų71.611%0.11240%0.399CS..Hα-helixtrans-67.1-37.7175.2-72.1-16.8000111.9R270 E380 R381 I382 P432R270-D378 IonicContact CZ-OD2 3.66Å; R270-D378 IonicContact NH1-OD2 2.77Å; R270-D378 PolarHBondContact NH1-OD2 3.08Å; R270-D378 IonicContact NH2-OD1 2.76Å; R270-D378 PolarHBondContact NH2-OD1 3.32Å; R270-D378 IonicContact NH2-OD2 3.69Å; R270-D378 PolarHBondContact NH2-OD2 3.13Å; D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 2.9Å; D378-R381 PolarHBondContact O-N 3.45Å; D378-R381 IonicContact OD1-NH1 3.09Å; D378-R381 PolarHBondContact OD1-NH1 2.88Å; D378-I382 WeakPolarHBondContact O-CB 3.29Å; D378-I382 VanDerWaalsContact O-CG1 3.26Å; D378-I382 WeakPolarHBondContact O-CG1 3.36Å; D378-I382 PolarHBondContact O-N 3.36Å; D378-P432 HydrophobicContact CB-CB 4.11Å; D378-P432 HydrophobicContact CB-CG 3.88Å
379E91.2Very high89.8Confident105 Ų10572.6 Ų72.649%0.49139%0.391SS..Hα-helixtrans-62.6-37.8174.1-5974.5-164.200111.3S377 R383S377-E379 VanDerWaalsContact C-N 3.34Å; S377-E379 WeakPolarHBondContact CB-OE2 3.44Å; S377-E379 PolarHBondContact OG-N 2.97Å; S377-E379 PolarHBondContact OG-OE2 3.42Å; E379-R383 VanDerWaalsContact O-CB 3.23Å; E379-R383 WeakPolarHBondContact O-CB 3.44Å; E379-R383 PolarHBondContact O-N 3.36Å
380E92.9Very high89.8Confident87 Ų8772.1 Ų72.141%0.40739%0.389SS..Hα-helixtrans-66.9-46.1175-69.2174.1164.300111.3K376 S377 D378 I382 R383 E384K376-E380 VanDerWaalsContact CA-OE2 3.23Å; K376-E380 WeakPolarHBondContact CA-OE2 3.46Å; K376-E380 HydrophobicContact CB-CB 4.29Å; S377-E380 PolarHBondContact N-OE2 3.06Å; S377-E380 PolarHBondContact O-N 3.39Å; S377-E380 PolarHBondContact OG-N 3.13Å; S377-E380 VanDerWaalsContact OG-N 3.14Å; D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 2.9Å; E380-I382 VanDerWaalsContact C-N 3.3Å; E380-I382 PolarHBondContact O-N 2.96Å; E380-R383 PolarHBondContact O-N 3.25Å; E380-R383 VanDerWaalsContact O-N 3.15Å; E380-E384 WeakPolarHBondContact O-CG 3.37Å; E380-E384 PolarHBondContact O-N 3.16Å
381R92.1Very high89.5Confident23 Ų2374.4 Ų74.49%0.08740%0.401CS..Hα-helixtrans-57.5-42.5174.6-72.7-175.4179.382.412.1112E245 K376 S377 D378 T385 P432E245-R381 IonicContact OE1-NE 3.91Å; E245-R381 IonicContact OE2-CZ 3.43Å; E245-R381 IonicContact OE2-NE 3.78Å; E245-R381 PolarHBondContact OE2-NE 2.88Å; E245-R381 IonicContact OE2-NH2 3.21Å; E245-R381 PolarHBondContact OE2-NH2 3.22Å; K376-R381 HydrophobicContact CB-CG 4.16Å; K376-R381 VanDerWaalsContact O-CZ 3.32Å; K376-R381 PolarHBondContact O-NH1 3.42Å; K376-R381 PolarHBondContact O-NH2 2.86Å; S377-R381 WeakPolarHBondContact O-CG 3.46Å; S377-R381 PolarHBondContact O-N 3.43Å; D378-R381 PolarHBondContact O-N 3.45Å; D378-R381 IonicContact OD1-NH1 3.09Å; D378-R381 PolarHBondContact OD1-NH1 2.88Å; R381-T385 PolarHBondContact O-OG1 3.21Å; R381-P432 HydrophobicContact CB-CG 4.09Å
382I90.7Very high89.3Confident55 Ų5570.9 Ų70.928%0.28239%0.39SS..Hα-helixtrans-65.6-45.9176.3-69.2166.9000110D378 E380 E384 T385 M386 P432 N434D378-I382 WeakPolarHBondContact O-CB 3.29Å; D378-I382 VanDerWaalsContact O-CG1 3.26Å; D378-I382 WeakPolarHBondContact O-CG1 3.36Å; D378-I382 PolarHBondContact O-N 3.36Å; E380-I382 VanDerWaalsContact C-N 3.3Å; E380-I382 PolarHBondContact O-N 2.96Å; I382-E384 VanDerWaalsContact C-N 3.34Å; I382-E384 PolarHBondContact O-N 2.72Å; I382-T385 PolarHBondContact O-N 3.44Å; I382-T385 VanDerWaalsContact O-N 3.12Å; I382-T385 PolarHBondContact O-OG1 3.12Å; I382-T385 VanDerWaalsContact O-OG1 3.1Å; I382-M386 WeakPolarHBondContact O-CG 3.34Å; I382-M386 PolarHBondContact O-N 3.27Å; I382-P432 HydrophobicContact CD1-CB 4.2Å; I382-P432 HydrophobicContact CG1-CB 4.25Å; I382-N434 HydrophobicContact CG1-CB 4.49Å; I382-N434 HydrophobicContact CG2-CB 4.26Å; I382-N434 PolarHBondContact O-ND2 3.39Å
383R91.3Very high89.3Confident168 Ų16870.6 Ų70.663%0.63438%0.375SS*.Hα-helixtrans-60.7-40.3-178.1-166.6-177.8-50.6179.27.7112.9E379 E380 T385 M386E379-R383 VanDerWaalsContact O-CB 3.23Å; E379-R383 WeakPolarHBondContact O-CB 3.44Å; E379-R383 PolarHBondContact O-N 3.36Å; E380-R383 PolarHBondContact O-N 3.25Å; E380-R383 VanDerWaalsContact O-N 3.15Å; R383-T385 PolarHBondContact O-N 3.17Å; R383-M386 HydrophobicContact CG-SD 4.42Å; R383-M386 PolarHBondContact O-N 3.35Å
384E89.6Confident89.1Confident116 Ų11673.2 Ų73.254%0.54239%0.388SS..Hα-helixtrans-60.5-27.7178.1-74-179.7170.600113K376 E380 I382K376-E384 WeakPolarHBondContact CD-OE1 3.31Å; K376-E384 VanDerWaalsContact CE-OE1 3.3Å; K376-E384 WeakPolarHBondContact CE-OE1 3.48Å; K376-E384 IonicContact NZ-OE1 3.56Å; K376-E384 PolarHBondContact NZ-OE1 3.16Å; K376-E384 IonicContact NZ-OE2 3.68Å; K376-E384 PolarHBondContact NZ-OE2 3.34Å; E380-E384 WeakPolarHBondContact O-CG 3.37Å; E380-E384 PolarHBondContact O-N 3.16Å; I382-E384 VanDerWaalsContact C-N 3.34Å; I382-E384 PolarHBondContact O-N 2.72Å
385T87.5Confident88.7Confident22 Ų2269.3 Ų69.314%0.13536%0.361CS..Hα-helixtrans-106.32.4-174.756.70000113.9R381 I382 R383 A387 T388 N434 S450R381-T385 PolarHBondContact O-OG1 3.21Å; I382-T385 PolarHBondContact O-N 3.44Å; I382-T385 VanDerWaalsContact O-N 3.12Å; I382-T385 PolarHBondContact O-OG1 3.12Å; I382-T385 VanDerWaalsContact O-OG1 3.1Å; R383-T385 PolarHBondContact O-N 3.17Å; T385-A387 VanDerWaalsContact C-N 3.25Å; T385-A387 PolarHBondContact O-N 3.43Å; T385-T388 WeakPolarHBondContact CA-OG1 3.34Å; T385-T388 PolarHBondContact O-N 2.59Å; T385-T388 VanDerWaalsContact O-N 3.07Å; T385-T388 PolarHBondContact O-OG1 3.41Å; T385-N434 VanDerWaalsContact C-ND2 3.3Å; T385-N434 PolarHBondContact O-ND2 3.03Å; T385-N434 PolarHBondContact OG1-ND2 3.35Å; T385-S450 WeakPolarHBondContact CG2-O 3.21Å
386M80.5Confident87.9Confident117 Ų11776 Ų7658%0.57639%0.386SS*.THydrogen-bonded Turntrans-60.1-32.4179.3-74.9-1767400113.6I382 R383 T388 N434I382-M386 WeakPolarHBondContact O-CG 3.34Å; I382-M386 PolarHBondContact O-N 3.27Å; R383-M386 HydrophobicContact CG-SD 4.42Å; R383-M386 PolarHBondContact O-N 3.35Å; M386-T388 VanDerWaalsContact C-N 3.32Å; M386-N434 PolarHBondContact N-ND2 3.04Å
387A81.1Confident87.3Confident99 Ų9980.7 Ų80.782%0.81841%0.414SS*.THydrogen-bonded Turntrans-82.7-10.1179.900000113.3T385T385-A387 VanDerWaalsContact C-N 3.25Å; T385-A387 PolarHBondContact O-N 3.43Å
388T84.7Confident87Confident53 Ų5381 Ų8133%0.32541%0.412SS..  trans-98.796.1-174.1550000111.1T385 M386 I437T385-T388 WeakPolarHBondContact CA-OG1 3.34Å; T385-T388 PolarHBondContact O-N 2.59Å; T385-T388 VanDerWaalsContact O-N 3.07Å; T385-T388 PolarHBondContact O-OG1 3.41Å; M386-T388 VanDerWaalsContact C-N 3.32Å; T388-I437 WeakPolarHBondContact O-CA 3.35Å; T388-I437 WeakPolarHBondContact O-CG1 3.42Å
389R89Confident87Confident98 Ų9883.8 Ų83.837%0.3742%0.424SS..PPolyproline II helixtrans-101.5144-179.6-164.4175.8172.9158.4-1112.3F402 E404 K452R389-F402 HydrophobicContact CG-CD1 4.32Å; R389-F402 HydrophobicContact CG-CE1 3.53Å; R389-F402 HydrophobicContact CG-CZ 4.1Å; R389-F402 VanDerWaalsContact NH2-CD2 3.3Å; R389-E404 IonicContact CZ-OE1 3.73Å; R389-E404 IonicContact CZ-OE2 3.42Å; R389-E404 IonicContact NH1-OE1 3.85Å; R389-E404 PolarHBondContact NH1-OE1 2.95Å; R389-E404 IonicContact NH1-OE2 2.72Å; R389-E404 PolarHBondContact NH1-OE2 3.18Å; R389-E404 IonicContact NH2-OE1 3.01Å; R389-E404 IonicContact NH2-OE2 3.44Å; R389-E404 PolarHBondContact NH2-OE2 2.96Å; R389-K452 WeakPolarHBondContact O-CD 3.49Å; R389-K452 WeakPolarHBondContact O-CE 3.4Å; R389-K452 PolarHBondContact O-NZ 2.97Å
390V90.4Very high87Confident4 Ų479.6 Ų79.62%0.02440%0.404CS..PPolyproline II helixtrans-70.4143.4169.3-54.90000110.8W400 F402 I437 K452 A455 Y456V390-W400 HydrophobicContact CB-CH2 4.46Å; V390-W400 HydrophobicContact CB-CZ2 4.48Å; V390-W400 HydrophobicContact CG1-CH2 3.96Å; V390-W400 HydrophobicContact CG1-CZ2 4.38Å; V390-W400 HydrophobicContact CG1-CZ3 4.07Å; V390-W400 HydrophobicContact CG2-CD2 3.62Å; V390-W400 HydrophobicContact CG2-CE3 3.56Å; V390-W400 HydrophobicContact CG2-CG 4.17Å; V390-W400 HydrophobicContact CG2-CH2 4.18Å; V390-W400 HydrophobicContact CG2-CZ2 4.21Å; V390-W400 HydrophobicContact CG2-CZ3 3.84Å; V390-F402 HydrophobicContact CG2-CE1 4.29Å; V390-F402 HydrophobicContact CG2-CZ 3.69Å; V390-I437 HydrophobicContact CG1-CG2 3.83Å; V390-I437 WeakPolarHBondContact CG2-O 3.17Å; V390-I437 PolarHBondContact N-O 2.94Å; V390-K452 HydrophobicContact CG1-CG 4.42Å; V390-A455 HydrophobicContact CG1-CB 3.67Å; V390-Y456 HydrophobicContact CB-CE2 3.8Å; V390-Y456 HydrophobicContact CG1-CD2 4.04Å; V390-Y456 HydrophobicContact CG1-CE2 3.74Å
391N87.4Confident86.8Confident74 Ų7475.8 Ų75.840%0.39639%0.386SS..PPolyproline II helixtrans-91.2116.9174.9-176-5.4000109.3S393 D394 Y456N391-S393 PolarHBondContact ND2-OG 3.43Å; N391-S393 PolarHBondContact O-N 3.31Å; N391-S393 PolarHBondContact OD1-N 3.29Å; N391-S393 VanDerWaalsContact OD1-N 3.09Å; N391-S393 PolarHBondContact OD1-OG 3.45Å; N391-D394 WeakPolarHBondContact O-CB 3.46Å; N391-D394 PolarHBondContact O-N 2.82Å; N391-Y456 PolarHBondContact N-OH 3.07Å
392V86.3Confident86.7Confident73 Ų7374.9 Ų74.944%0.44238%0.383SS..G310 helixtrans-58.4-31.4-178.7-173.10000111.8D394 F395 W400 F402V392-D394 PolarHBondContact O-N 2.81Å; V392-F395 PolarHBondContact O-N 2.85Å; V392-W400 HydrophobicContact CG2-CB 4.37Å; V392-F402 HydrophobicContact CG2-CD2 4.48Å; V392-F402 HydrophobicContact CG2-CE2 3.5Å; V392-F402 VanDerWaalsContact CG2-CE2 3.5Å; V392-F402 HydrophobicContact CG2-CZ 4.12Å
393S83.9Confident86.5Confident77 Ų7775 Ų7554%0.53839%0.388SS..G310 helixtrans-67.8-19.1-179.961.30000114.2N391 F395N391-S393 PolarHBondContact ND2-OG 3.43Å; N391-S393 PolarHBondContact O-N 3.31Å; N391-S393 PolarHBondContact OD1-N 3.29Å; N391-S393 VanDerWaalsContact OD1-N 3.09Å; N391-S393 PolarHBondContact OD1-OG 3.45Å; S393-F395 VanDerWaalsContact C-N 3.28Å; S393-F395 PolarHBondContact O-N 2.88Å
394D87.3Confident86.2Confident85 Ų8572.4 Ų72.446%0.45538%0.383SS..G310 helixtrans-74.3-21.9179.6-62.9-9.6000111.8N391 V392 Y456N391-D394 WeakPolarHBondContact O-CB 3.46Å; N391-D394 PolarHBondContact O-N 2.82Å; V392-D394 PolarHBondContact O-N 2.81Å; D394-Y456 HydrophobicContact CB-CE1 4.15Å; D394-Y456 VanDerWaalsContact OD2-CE1 3.23Å; D394-Y456 WeakPolarHBondContact OD2-CE1 3.28Å; D394-Y456 VanDerWaalsContact OD2-CZ 3.24Å; D394-Y456 PolarHBondContact OD2-OH 3.08Å
395F83.4Confident85.9Confident30 Ų3069.6 Ų69.613%0.13237%0.373CS..  trans-131.785.3-176.1-60.7-82.1000112V392 S393 N397 Q398 W400 Y456 A459 Q460V392-F395 PolarHBondContact O-N 2.85Å; S393-F395 VanDerWaalsContact C-N 3.28Å; S393-F395 PolarHBondContact O-N 2.88Å; F395-N397 PolarHBondContact O-N 3.46Å; F395-Q398 HydrophobicContact CB-CB 3.82Å; F395-Q398 HydrophobicContact CB-CG 3.87Å; F395-Q398 HydrophobicContact CD1-CG 4.37Å; F395-Q398 HydrophobicContact CG-CG 4.38Å; F395-Q398 PolarHBondContact O-N 2.82Å; F395-W400 HydrophobicContact CD2-CZ2 4.35Å; F395-W400 AromaticContact CD2-NE1 3.95Å; F395-Y456 AromaticContact CE2-CD1 3.64Å; F395-Y456 HydrophobicContact CE2-CD1 3.64Å; F395-Y456 HydrophobicContact CE2-CD2 4.04Å; F395-Y456 AromaticContact CE2-CE1 3.76Å; F395-Y456 HydrophobicContact CE2-CE1 3.76Å; F395-Y456 HydrophobicContact CE2-CE2 4.17Å; F395-Y456 AromaticContact CE2-CG 3.79Å; F395-Y456 HydrophobicContact CE2-CG 3.79Å; F395-Y456 AromaticContact CZ-CD1 3.66Å; F395-Y456 HydrophobicContact CZ-CD1 3.66Å; F395-Y456 HydrophobicContact CZ-CD2 4.48Å; F395-Y456 HydrophobicContact CZ-CE1 4.2Å; F395-Y456 AromaticContact CZ-CG 3.83Å; F395-Y456 HydrophobicContact CZ-CG 3.83Å; F395-A459 HydrophobicContact CD1-CB 3.91Å; F395-A459 HydrophobicContact CD2-CB 4.41Å; F395-A459 HydrophobicContact CE1-CB 3.67Å; F395-A459 HydrophobicContact CE2-CB 4.19Å; F395-A459 HydrophobicContact CG-CB 4.28Å; F395-A459 HydrophobicContact CZ-CB 3.82Å; F395-Q460 HydrophobicContact CE1-CG 4.42Å
396K76.9Confident85.6Confident196 Ų19668.6 Ų68.685%0.85237%0.367SS*.THydrogen-bonded Turntrans-63.5-22.7-178.5-64.3-174.4-179.3-179.10115.1
397N82.6Confident85.6Confident160 Ų16065.7 Ų65.786%0.85636%0.362SS*.THydrogen-bonded Turntrans-103.63.9-174.9-62.6-11.2000113.2F395F395-N397 PolarHBondContact O-N 3.46Å
398Q87.4Confident85.8Confident38 Ų3861.5 Ų61.518%0.17833%0.326CS..SBendtrans-113.5138.5-176.5-62.9-62.9-600110.4F395 L440 A459F395-Q398 HydrophobicContact CB-CB 3.82Å; F395-Q398 HydrophobicContact CB-CG 3.87Å; F395-Q398 HydrophobicContact CD1-CG 4.37Å; F395-Q398 HydrophobicContact CG-CG 4.38Å; F395-Q398 PolarHBondContact O-N 2.82Å; Q398-L440 HydrophobicContact CB-CD1 3.76Å; Q398-L440 HydrophobicContact CG-CD1 4.31Å; Q398-A459 HydrophobicContact CG-CB 4.43Å; Q398-A459 PolarHBondContact NE2-O 3.17Å
399E90.1Very high85.8Confident80 Ų8059.9 Ų59.937%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-94107.8178.5-172.5-176.8169.200109.5L401 K441E399-L401 HydrophobicContact CG-CD2 4.32Å; E399-K441 HydrophobicContact CB-CB 4.19Å; E399-K441 HydrophobicContact CG-CB 4.25Å; E399-K441 PolarHBondContact O-N 3.47Å; E399-K441 IonicContact OE1-NZ 2.65Å; E399-K441 PolarHBondContact OE1-NZ 3Å; E399-K441 IonicContact OE2-NZ 2.91Å; E399-K441 PolarHBondContact OE2-NZ 3.44Å
400W91.4Very high85.5Confident16 Ų1662.6 Ų62.66%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-102.1126.1176.7-67.496.2000110.9V390 V392 F395 F402 I439 L440 F449 A455 A459V390-W400 HydrophobicContact CB-CH2 4.46Å; V390-W400 HydrophobicContact CB-CZ2 4.48Å; V390-W400 HydrophobicContact CG1-CH2 3.96Å; V390-W400 HydrophobicContact CG1-CZ2 4.38Å; V390-W400 HydrophobicContact CG1-CZ3 4.07Å; V390-W400 HydrophobicContact CG2-CD2 3.62Å; V390-W400 HydrophobicContact CG2-CE3 3.56Å; V390-W400 HydrophobicContact CG2-CG 4.17Å; V390-W400 HydrophobicContact CG2-CH2 4.18Å; V390-W400 HydrophobicContact CG2-CZ2 4.21Å; V390-W400 HydrophobicContact CG2-CZ3 3.84Å; V392-W400 HydrophobicContact CG2-CB 4.37Å; F395-W400 HydrophobicContact CD2-CZ2 4.35Å; F395-W400 AromaticContact CD2-NE1 3.95Å; W400-F402 HydrophobicContact CB-CE2 3.7Å; W400-F402 HydrophobicContact CB-CZ 4.17Å; W400-I439 WeakPolarHBondContact CA-O 3.28Å; W400-L440 HydrophobicContact CD2-CD1 4.05Å; W400-L440 HydrophobicContact CE3-CB 3.96Å; W400-L440 HydrophobicContact CE3-CD1 4.36Å; W400-L440 HydrophobicContact CH2-CB 3.99Å; W400-L440 HydrophobicContact CH2-CD1 4.33Å; W400-L440 HydrophobicContact CZ2-CD1 4.04Å; W400-L440 HydrophobicContact CZ3-CB 3.69Å; W400-F449 HydrophobicContact CH2-CD2 4.44Å; W400-F449 AromaticContact CH2-CE2 3.92Å; W400-F449 HydrophobicContact CH2-CE2 3.92Å; W400-F449 HydrophobicContact CZ3-CD2 4.23Å; W400-F449 AromaticContact CZ3-CE2 3.78Å; W400-F449 HydrophobicContact CZ3-CE2 3.78Å; W400-A455 HydrophobicContact CH2-CB 3.87Å; W400-A455 HydrophobicContact CZ3-CB 4.37Å; W400-A459 HydrophobicContact CH2-CB 4.35Å; W400-A459 HydrophobicContact CZ2-CB 3.7Å
401L90.3Very high85.1Confident7 Ų768.7 Ų68.74%0.03736%0.364CS..EExtended strand (participates in β ladder)trans-102.7138.9179.1-53.8175.4000110E399 L412 I439 K441 P506E399-L401 HydrophobicContact CG-CD2 4.32Å; L401-L412 HydrophobicContact CB-CD1 4.49Å; L401-L412 HydrophobicContact CD1-CD1 3.77Å; L401-I439 HydrophobicContact CB-CB 4.2Å; L401-I439 PolarHBondContact N-O 2.98Å; L401-I439 PolarHBondContact O-N 3.37Å; L401-I439 VanDerWaalsContact O-N 3.08Å; L401-K441 HydrophobicContact CD1-CB 4.12Å; L401-K441 HydrophobicContact CD1-CD 4.17Å; L401-K441 HydrophobicContact CG-CB 4.35Å; L401-P506 HydrophobicContact CD1-CB 3.93Å; L401-P506 HydrophobicContact CD1-CG 4.2Å; L401-P506 HydrophobicContact CD2-CB 4.21Å; L401-P506 HydrophobicContact CD2-CG 4.48Å
402F90Very high85Confident4 Ų465.8 Ų65.82%0.01835%0.349CS..  trans-139162178-61.6-82.7000111.4R389 V390 V392 W400 E404 T405 T406 F409R389-F402 HydrophobicContact CG-CD1 4.32Å; R389-F402 HydrophobicContact CG-CE1 3.53Å; R389-F402 HydrophobicContact CG-CZ 4.1Å; R389-F402 VanDerWaalsContact NH2-CD2 3.3Å; V390-F402 HydrophobicContact CG2-CE1 4.29Å; V390-F402 HydrophobicContact CG2-CZ 3.69Å; V392-F402 HydrophobicContact CG2-CD2 4.48Å; V392-F402 HydrophobicContact CG2-CE2 3.5Å; V392-F402 VanDerWaalsContact CG2-CE2 3.5Å; V392-F402 HydrophobicContact CG2-CZ 4.12Å; W400-F402 HydrophobicContact CB-CE2 3.7Å; W400-F402 HydrophobicContact CB-CZ 4.17Å; F402-E404 VanDerWaalsContact CB-OE2 3.23Å; F402-E404 WeakPolarHBondContact CB-OE2 3.5Å; F402-E404 PolarHBondContact O-N 3.38Å; F402-T405 PolarHBondContact N-OG1 3.04Å; F402-T405 PolarHBondContact O-N 3.05Å; F402-T405 VanDerWaalsContact O-N 3.15Å; F402-T405 PolarHBondContact O-OG1 3.21Å; F402-T406 WeakPolarHBondContact O-CB 3.26Å; F402-T406 PolarHBondContact O-N 3.29Å; F402-T406 PolarHBondContact O-OG1 2.95Å; F402-F409 VanDerWaalsContact C-CE2 3.44Å; F402-F409 VanDerWaalsContact CA-CE2 3.46Å; F402-F409 WeakPolarHBondContact O-CD2 3.36Å
403P86.2Confident85Confident59 Ų5965.6 Ų65.638%0.38335%0.345SS..THydrogen-bonded Turntrans-58-33.2179.9-23.932.7000113.5F409P403-F409 HydrophobicContact CB-CD1 4.24Å; P403-F409 HydrophobicContact CB-CG 4.33Å; P403-F409 HydrophobicContact CG-CD1 3.83Å; P403-F409 HydrophobicContact CG-CD2 4.45Å; P403-F409 HydrophobicContact CG-CE1 3.67Å; P403-F409 HydrophobicContact CG-CE2 4.32Å; P403-F409 HydrophobicContact CG-CG 4.21Å; P403-F409 HydrophobicContact CG-CZ 3.92Å
404E84.4Confident85.3Confident113 Ų11363.4 Ų63.453%0.52833%0.327SS..THydrogen-bonded Turntrans-74.5-32.8-178.7-47.687.817200111.8R389 F402 K509R389-E404 IonicContact CZ-OE1 3.73Å; R389-E404 IonicContact CZ-OE2 3.42Å; R389-E404 IonicContact NH1-OE1 3.85Å; R389-E404 PolarHBondContact NH1-OE1 2.95Å; R389-E404 IonicContact NH1-OE2 2.72Å; R389-E404 PolarHBondContact NH1-OE2 3.18Å; R389-E404 IonicContact NH2-OE1 3.01Å; R389-E404 IonicContact NH2-OE2 3.44Å; R389-E404 PolarHBondContact NH2-OE2 2.96Å; F402-E404 VanDerWaalsContact CB-OE2 3.23Å; F402-E404 WeakPolarHBondContact CB-OE2 3.5Å; F402-E404 PolarHBondContact O-N 3.38Å; E404-K509 WeakPolarHBondContact O-CD 3.49Å
405T82.2Confident85.5Confident56 Ų5661.2 Ų61.234%0.34431%0.314SS..THydrogen-bonded Turntrans-94.1-15.3-174.959.20000113.7F402 K509F402-T405 PolarHBondContact N-OG1 3.04Å; F402-T405 PolarHBondContact O-N 3.05Å; F402-T405 VanDerWaalsContact O-N 3.15Å; F402-T405 PolarHBondContact O-OG1 3.21Å; T405-K509 PolarHBondContact O-N 3.16Å
406T83.1Confident85.8Confident1 Ų159.9 Ų59.91%0.00631%0.308CS..BIsolated β-bridgetrans-120.6130.1-174.1-45.30000110.5F402 N408 F409 L412 P506 K509F402-T406 WeakPolarHBondContact O-CB 3.26Å; F402-T406 PolarHBondContact O-N 3.29Å; F402-T406 PolarHBondContact O-OG1 2.95Å; T406-N408 WeakPolarHBondContact CG2-OD1 3.35Å; T406-F409 HydrophobicContact CG2-CB 4.48Å; T406-L412 HydrophobicContact CG2-CD1 4.3Å; T406-P506 HydrophobicContact CG2-CB 4.04Å; T406-K509 PolarHBondContact O-NZ 3.15Å
407A79.4Confident86.3Confident56 Ų5653.6 Ų53.646%0.46328%0.281SS..THydrogen-bonded Turntrans-76.2-42.1-178.800000112.8I507 K509A407-I507 HydrophobicContact CB-CB 4.14Å; A407-I507 HydrophobicContact CB-CG2 4.02Å; A407-I507 PolarHBondContact N-O 2.71Å; A407-K509 HydrophobicContact CB-CD 4.46Å; A407-K509 HydrophobicContact CB-CG 3.99Å
408N84.5Confident86.7Confident11 Ų1148.3 Ų48.36%0.05926%0.257CS..THydrogen-bonded Turntrans-99.138.3179.263.1-33000112.1T406 D410 E411 L412 K505 I507T406-N408 WeakPolarHBondContact CG2-OD1 3.35Å; N408-D410 VanDerWaalsContact C-N 3.33Å; N408-D410 PolarHBondContact O-N 3.45Å; N408-E411 HydrophobicContact CB-CB 4.31Å; N408-E411 PolarHBondContact O-N 2.99Å; N408-E411 VanDerWaalsContact O-N 3.13Å; N408-L412 WeakPolarHBondContact O-CG 3.33Å; N408-L412 PolarHBondContact O-N 3.26Å; N408-K505 PolarHBondContact ND2-O 3.01Å; N408-K505 VanDerWaalsContact ND2-O 3.12Å; N408-I507 HydrophobicContact CB-CD1 4.49Å; N408-I507 PolarHBondContact OD1-N 2.87Å
409F85.4Confident87Confident19 Ų1947.6 Ų47.68%0.08325%0.253CS..G310 helixtrans-57.3-43.2-173.4-174.2-95.6000112.8F402 P403 T406 E411 L412 P435 I439F402-F409 VanDerWaalsContact C-CE2 3.44Å; F402-F409 VanDerWaalsContact CA-CE2 3.46Å; F402-F409 WeakPolarHBondContact O-CD2 3.36Å; P403-F409 HydrophobicContact CB-CD1 4.24Å; P403-F409 HydrophobicContact CB-CG 4.33Å; P403-F409 HydrophobicContact CG-CD1 3.83Å; P403-F409 HydrophobicContact CG-CD2 4.45Å; P403-F409 HydrophobicContact CG-CE1 3.67Å; P403-F409 HydrophobicContact CG-CE2 4.32Å; P403-F409 HydrophobicContact CG-CG 4.21Å; P403-F409 HydrophobicContact CG-CZ 3.92Å; T406-F409 HydrophobicContact CG2-CB 4.48Å; F409-E411 VanDerWaalsContact C-N 3.25Å; F409-E411 PolarHBondContact O-N 3.49Å; F409-L412 HydrophobicContact CD2-CD1 4.17Å; F409-L412 WeakPolarHBondContact O-CG 3.22Å; F409-L412 PolarHBondContact O-N 3.28Å; F409-P435 HydrophobicContact CE1-CB 4.02Å; F409-P435 HydrophobicContact CZ-CB 3.98Å; F409-I439 HydrophobicContact CD2-CD1 4.26Å; F409-I439 HydrophobicContact CE1-CD1 4.21Å; F409-I439 HydrophobicContact CE2-CD1 3.51Å; F409-I439 HydrophobicContact CE2-CG1 3.98Å; F409-I439 HydrophobicContact CZ-CD1 3.49Å; F409-I439 VanDerWaalsContact CZ-CD1 3.49Å; F409-I439 HydrophobicContact CZ-CG1 3.91Å
410D83.1Confident87.3Confident155 Ų15543.8 Ų43.883%0.82924%0.236SC*.G310 helixtrans-75.7-13.9-178.1-56.1-41.7000113.2N408N408-D410 VanDerWaalsContact C-N 3.33Å; N408-D410 PolarHBondContact O-N 3.45Å
411E82.8Confident87.5Confident133 Ų13343 Ų4362%0.62123%0.233SC*.G310 helixtrans-99.22.3179.5-59.3176.7-178.700112.3N408 F409 L413N408-E411 HydrophobicContact CB-CB 4.31Å; N408-E411 PolarHBondContact O-N 2.99Å; N408-E411 VanDerWaalsContact O-N 3.13Å; F409-E411 VanDerWaalsContact C-N 3.25Å; F409-E411 PolarHBondContact O-N 3.49Å; E411-L413 PolarHBondContact O-N 3.48Å
412L84.9Confident87.7Confident12 Ų1243.2 Ų43.26%0.06323%0.233CC..  trans-67.8131.2179.9-67.1176.3000110.7L401 T406 N408 F409 I414 I439 P506L401-L412 HydrophobicContact CB-CD1 4.49Å; L401-L412 HydrophobicContact CD1-CD1 3.77Å; T406-L412 HydrophobicContact CG2-CD1 4.3Å; N408-L412 WeakPolarHBondContact O-CG 3.33Å; N408-L412 PolarHBondContact O-N 3.26Å; F409-L412 HydrophobicContact CD2-CD1 4.17Å; F409-L412 WeakPolarHBondContact O-CG 3.22Å; F409-L412 PolarHBondContact O-N 3.28Å; L412-I414 PolarHBondContact O-N 2.89Å; L412-I414 VanDerWaalsContact O-N 3.16Å; L412-I439 HydrophobicContact CD1-CD1 3.98Å; L412-P506 HydrophobicContact CD2-CB 3.98Å
413L85.9Confident87.9Confident69 Ų6943 Ų4336%0.36123%0.233SC..  trans-76.4103.3173.6-64.8176.7000110.1E411 E501E411-L413 PolarHBondContact O-N 3.48Å; L413-E501 HydrophobicContact CD1-CB 4.22Å
414I90.1Very high88.2Confident31 Ų3140.2 Ų40.216%0.15922%0.215CC..BIsolated β-bridgetrans-88.1128.6179.2-57.4169.4000108.9L412 P435 I439 V448L412-I414 PolarHBondContact O-N 2.89Å; L412-I414 VanDerWaalsContact O-N 3.16Å; I414-P435 HydrophobicContact CD1-CG 4.32Å; I414-I439 HydrophobicContact CD1-CD1 4.17Å; I414-I439 HydrophobicContact CG1-CD1 4.45Å; I414-V448 HydrophobicContact CD1-CG1 3.89Å; I414-V448 HydrophobicContact CG1-CG1 4.41Å; I414-V448 HydrophobicContact CG2-CB 4.2Å; I414-V448 HydrophobicContact CG2-CG1 3.71Å; I414-V448 HydrophobicContact CG2-CG2 3.59Å
415Q90.4Very high88.4Confident40 Ų4034.9 Ų34.919%0.18719%0.19CC..SBendtrans-65.5158.5178.4-66.2-65.1-70.700111.9H417 S418 R445 C446 Y447Q415-H417 VanDerWaalsContact C-N 3.28Å; Q415-H417 PolarHBondContact O-N 3.45Å; Q415-S418 PolarHBondContact O-N 2.89Å; Q415-R445 HydrophobicContact CG-CB 3.77Å; Q415-R445 HydrophobicContact CG-CG 4.16Å; Q415-C446 WeakPolarHBondContact CB-O 3.47Å; Q415-C446 PolarHBondContact N-O 3.06Å; Q415-Y447 HydrophobicContact CB-CD1 3.89Å; Q415-Y447 HydrophobicContact CB-CE1 3.73Å; Q415-Y447 HydrophobicContact CG-CD1 4.31Å; Q415-Y447 HydrophobicContact CG-CE1 3.83Å
416Y90.9Very high88.7Confident2 Ų237.3 Ų37.31%0.00820%0.197CC..G310 helixtrans60.735175-48.1-40.5000112.9S418 F419 A421 I424 Y447 N469 L483 L485Y416-S418 PolarHBondContact O-N 3.38Å; Y416-S418 VanDerWaalsContact O-N 3.17Å; Y416-F419 WeakPolarHBondContact O-CB 3.23Å; Y416-F419 WeakPolarHBondContact O-CD2 3.27Å; Y416-F419 PolarHBondContact O-N 2.95Å; Y416-A421 HydrophobicContact CD2-CB 3.87Å; Y416-A421 HydrophobicContact CE2-CB 3.86Å; Y416-I424 HydrophobicContact CD2-CD1 4.23Å; Y416-I424 HydrophobicContact CG-CD1 4.17Å; Y416-Y447 HydrophobicContact CD2-CD1 4.09Å; Y416-Y447 HydrophobicContact CD2-CE1 4.3Å; Y416-Y447 AromaticContact CE2-CD1 3.64Å; Y416-Y447 HydrophobicContact CE2-CD1 3.64Å; Y416-Y447 AromaticContact CE2-CE1 3.53Å; Y416-Y447 HydrophobicContact CE2-CE1 3.53Å; Y416-Y447 AromaticContact CZ-CE1 3.88Å; Y416-N469 WeakPolarHBondContact CE2-ND2 3.35Å; Y416-L483 HydrophobicContact CD1-CB 4.07Å; Y416-L485 HydrophobicContact CD1-CD2 4.45Å; Y416-L485 HydrophobicContact CE1-CD2 3.86Å
417H87.8Confident88.8Confident63 Ų6341.4 Ų41.429%0.29222%0.215SC..G310 helixtrans47.642.3-176.2-66.199.3000113.7Q415 F419 L482 E484Q415-H417 VanDerWaalsContact C-N 3.28Å; Q415-H417 PolarHBondContact O-N 3.45Å; H417-F419 HydrophobicContact CB-CD2 4.19Å; H417-F419 HydrophobicContact CB-CE2 4.07Å; H417-F419 PolarHBondContact O-N 2.79Å; H417-F419 VanDerWaalsContact O-N 3.15Å; H417-L482 PolarHBondContact CE1-O 3.3Å; H417-L482 VanDerWaalsContact CE1-O 3.23Å; H417-L482 PolarHBondContact ND1-O 3.39Å; H417-E484 WeakPolarHBondContact CE1-CG 3.49Å; H417-E484 IonicContact CE1-OE1 3.89Å; H417-E484 IonicContact NE2-OE1 2.8Å; H417-E484 PolarHBondContact NE2-OE1 3.39Å
418S90.2Very high89Confident50 Ų5039 Ų3935%0.3520%0.195SC..G310 helixtrans6317.1-179.9-54.20000115.3Q415 Y416 G433 V448Q415-S418 PolarHBondContact O-N 2.89Å; Y416-S418 PolarHBondContact O-N 3.38Å; Y416-S418 VanDerWaalsContact O-N 3.17Å; S418-G433 VanDerWaalsContact O-CA 3.3Å; S418-G433 WeakPolarHBondContact O-CA 3.46Å; S418-G433 PolarHBondContact O-N 3.26Å; S418-V448 VanDerWaalsContact C-CG2 3.49Å; S418-V448 VanDerWaalsContact O-CG2 3.24Å; S418-V448 WeakPolarHBondContact O-CG2 3.33Å
419F94.9Very high89.3Confident22 Ų2238.7 Ų38.710%0.09619%0.194CC..BIsolated β-bridgetrans-77.8155.2168.5-63.6-57.6000111.7Y416 H417 A421 I424 I430 L431 L482 L483Y416-F419 WeakPolarHBondContact O-CB 3.23Å; Y416-F419 WeakPolarHBondContact O-CD2 3.27Å; Y416-F419 PolarHBondContact O-N 2.95Å; H417-F419 HydrophobicContact CB-CD2 4.19Å; H417-F419 HydrophobicContact CB-CE2 4.07Å; H417-F419 PolarHBondContact O-N 2.79Å; H417-F419 VanDerWaalsContact O-N 3.15Å; F419-A421 PolarHBondContact O-N 3.11Å; F419-I424 HydrophobicContact CB-CD1 3.98Å; F419-I430 HydrophobicContact CB-CG2 4.37Å; F419-I430 HydrophobicContact CD1-CG2 3.33Å; F419-I430 HydrophobicContact CD2-CG2 3.59Å; F419-I430 HydrophobicContact CE1-CG2 3.31Å; F419-I430 HydrophobicContact CE2-CG2 3.57Å; F419-I430 HydrophobicContact CG-CG2 3.5Å; F419-I430 VanDerWaalsContact CG-CG2 3.5Å; F419-I430 HydrophobicContact CZ-CG2 3.43Å; F419-I430 VanDerWaalsContact CZ-CG2 3.43Å; F419-L431 CarbonylContact C-O 3.56Å; F419-L431 WeakPolarHBondContact CA-O 3.49Å; F419-L482 HydrophobicContact CE2-CD1 4.12Å; F419-L482 HydrophobicContact CE2-CG 4.42Å; F419-L483 HydrophobicContact CD2-CD2 4.1Å
420C95.7Very high89.6Confident0 Ų037.8 Ų37.80%019%0.19CC..BIsolated β-bridgetrans-63.3111.9-179.8176.10000111.3H422 A423 I424 L431 V448 S450C420-H422 PolarHBondContact O-N 3.36Å; C420-H422 VanDerWaalsContact O-N 3.17Å; C420-A423 HydrophobicContact CB-CB 3.84Å; C420-A423 PolarHBondContact O-N 2.91Å; C420-A423 VanDerWaalsContact O-N 3.17Å; C420-A423 PolarHBondContact SG-N 3.19Å; C420-A423 VanDerWaalsContact SG-N 3.41Å; C420-I424 WeakPolarHBondContact O-CG1 3.45Å; C420-I424 PolarHBondContact O-N 2.84Å; C420-L431 HydrophobicContact CB-CB 4.32Å; C420-L431 PolarHBondContact N-O 2.96Å; C420-V448 WeakPolarHBondContact CA-O 3.26Å; C420-S450 PolarHBondContact SG-N 3.07Å; C420-S450 PolarHBondContact SG-OG 3.19Å
421A94.6Very high90.1Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-60.2-31.3-177.300000113.2Y416 F419 Y447 V448 F449 F458 N469Y416-A421 HydrophobicContact CD2-CB 3.87Å; Y416-A421 HydrophobicContact CE2-CB 3.86Å; F419-A421 PolarHBondContact O-N 3.11Å; A421-Y447 HydrophobicContact CB-CD1 3.95Å; A421-Y447 HydrophobicContact CB-CG 4.4Å; A421-V448 PolarHBondContact N-O 3.2Å; A421-V448 VanDerWaalsContact N-O 3.08Å; A421-F449 HydrophobicContact CB-CE1 4.25Å; A421-F458 HydrophobicContact CB-CD2 4.17Å; A421-F458 HydrophobicContact CB-CE2 3.67Å; A421-F458 HydrophobicContact CB-CZ 4.13Å; A421-N469 PolarHBondContact O-ND2 3.35Å; A421-N469 PolarHBondContact O-OD1 2.81Å; A421-N469 VanDerWaalsContact O-OD1 3.08Å
422H95.6Very high90.6Very high11 Ų1125.2 Ų25.25%0.05113%0.128CC..Hα-helixtrans-75.6-42.9177.1173.2-107.1000112.9C420 I424 G425 E426 F449 S454 I457 F458 F465C420-H422 PolarHBondContact O-N 3.36Å; C420-H422 VanDerWaalsContact O-N 3.17Å; H422-I424 VanDerWaalsContact C-N 3.31Å; H422-I424 PolarHBondContact O-N 3.48Å; H422-G425 PolarHBondContact O-N 3.32Å; H422-E426 WeakPolarHBondContact O-CB 3.31Å; H422-E426 PolarHBondContact O-N 2.67Å; H422-F449 HydrophobicContact CB-CD1 4.36Å; H422-S454 WeakPolarHBondContact ND1-CB 3.45Å; H422-S454 PolarHBondContact ND1-OG 3.46Å; H422-I457 WeakPolarHBondContact NE2-CG2 3.3Å; H422-F458 HydrophobicContact CB-CB 4.36Å; H422-F458 HydrophobicContact CB-CD2 4.4Å; H422-F465 AromaticContact CD2-CD1 3.89Å; H422-F465 AromaticContact CD2-CE1 3.43Å; H422-F465 VanDerWaalsContact CD2-CE1 3.43Å; H422-F465 WeakPolarHBondContact CD2-CE1 3.37Å; H422-F465 AromaticContact CD2-CZ 3.72Å; H422-F465 AromaticContact NE2-CE1 3.87Å
423A93.9Very high91Very high1 Ų124.9 Ų24.91%0.00813%0.127CC..Hα-helixtrans-66-35-175.900000112.4C420 K427 G428 L429 L431C420-A423 HydrophobicContact CB-CB 3.84Å; C420-A423 PolarHBondContact O-N 2.91Å; C420-A423 VanDerWaalsContact O-N 3.17Å; C420-A423 PolarHBondContact SG-N 3.19Å; C420-A423 VanDerWaalsContact SG-N 3.41Å; A423-K427 WeakPolarHBondContact O-CA 3.21Å; A423-K427 WeakPolarHBondContact O-CB 3.4Å; A423-K427 PolarHBondContact O-N 2.89Å; A423-G428 PolarHBondContact O-N 3.26Å; A423-G428 VanDerWaalsContact O-N 3.11Å; A423-L429 CarbonylContact C-O 3.57Å; A423-L429 PolarHBondContact O-N 2.71Å; A423-L431 HydrophobicContact CB-CB 4.22Å; A423-L431 HydrophobicContact CB-CD1 3.88Å; A423-L431 HydrophobicContact CB-CG 4.11Å
424I93Very high91.3Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-59.4-54.1175.6-64.3164.7000109.9Y416 F419 C420 H422 G428 L429 I430 N469 L483Y416-I424 HydrophobicContact CD2-CD1 4.23Å; Y416-I424 HydrophobicContact CG-CD1 4.17Å; F419-I424 HydrophobicContact CB-CD1 3.98Å; C420-I424 WeakPolarHBondContact O-CG1 3.45Å; C420-I424 PolarHBondContact O-N 2.84Å; H422-I424 VanDerWaalsContact C-N 3.31Å; H422-I424 PolarHBondContact O-N 3.48Å; I424-G428 WeakPolarHBondContact O-CA 3.48Å; I424-G428 PolarHBondContact O-N 3.01Å; I424-L429 WeakPolarHBondContact CA-O 3.46Å; I424-L429 PolarHBondContact N-O 3.33Å; I424-I430 HydrophobicContact CG1-CD1 4.01Å; I424-N469 HydrophobicContact CG2-CB 4.2Å; I424-L483 HydrophobicContact CD1-CD1 4.22Å; I424-L483 HydrophobicContact CD1-CD2 3.92Å; I424-L483 HydrophobicContact CG2-CD1 3.94Å
425G88.1Confident91.4Very high1 Ų122.1 Ų22.11%0.0112%0.115CC..Hα-helixtrans-69.1-53.8-174.800000112.4H422 L468 N469H422-G425 PolarHBondContact O-N 3.32Å; G425-L468 WeakPolarHBondContact O-CD2 3.49Å; G425-L468 VanDerWaalsContact O-CG 3.29Å; G425-L468 WeakPolarHBondContact O-CG 3.27Å; G425-N469 WeakPolarHBondContact CA-OD1 3.34Å; G425-N469 PolarHBondContact N-OD1 2.85Å
426E88.1Confident91.4Very high107 Ų10721.9 Ų21.950%0.512%0.12SC..Hα-helixtrans-74.2-42.9-170.8-170.169.5-165.200112.1H422 F465H422-E426 WeakPolarHBondContact O-CB 3.31Å; H422-E426 PolarHBondContact O-N 2.67Å; E426-F465 HydrophobicContact CB-CE1 4.47Å
427K84.8Confident91.4Very high86 Ų8621.8 Ų21.837%0.37412%0.12SC..Hα-helixtrans-106.5-18.2-172.7-55.1-175.8180-177.10113.1K263 A423 L429K263-K427 PolarHBondContact NZ-O 3.13Å; A423-K427 WeakPolarHBondContact O-CA 3.21Å; A423-K427 WeakPolarHBondContact O-CB 3.4Å; A423-K427 PolarHBondContact O-N 2.89Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 HydrophobicContact CB-CB 4.29Å; K427-L429 HydrophobicContact CB-CD1 3.91Å; K427-L429 HydrophobicContact CB-CG 3.73Å; K427-L429 HydrophobicContact CD-CD1 4.08Å
428G85.2Confident91.6Very high5 Ų518.8 Ų18.85%0.05211%0.106CC..  trans64.435.4-169.900000111.8A423 I424A423-G428 PolarHBondContact O-N 3.26Å; A423-G428 VanDerWaalsContact O-N 3.11Å; I424-G428 WeakPolarHBondContact O-CA 3.48Å; I424-G428 PolarHBondContact O-N 3.01Å
429L89.6Confident91.8Very high5 Ų516.5 Ų16.53%0.0269%0.089CC..  trans-115.2145.5179.9-59.1-179000110.8L244 A423 I424 K427 L431L244-L429 HydrophobicContact CB-CD2 3.65Å; L244-L429 HydrophobicContact CD1-CD2 3.91Å; L244-L429 HydrophobicContact CD2-CD2 4.43Å; L244-L429 HydrophobicContact CG-CD2 4.21Å; A423-L429 CarbonylContact C-O 3.57Å; A423-L429 PolarHBondContact O-N 2.71Å; I424-L429 WeakPolarHBondContact CA-O 3.46Å; I424-L429 PolarHBondContact N-O 3.33Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 HydrophobicContact CB-CB 4.29Å; K427-L429 HydrophobicContact CB-CD1 3.91Å; K427-L429 HydrophobicContact CB-CG 3.73Å; K427-L429 HydrophobicContact CD-CD1 4.08Å; L429-L431 HydrophobicContact CB-CG 4.24Å
430I92.4Very high91.7Very high0 Ų015.4 Ų15.40%09%0.085CC..  trans-99.885.9176.5-55.7-54.1000108.2L266 F267 R270 F419 I424 L479 L483L266-I430 HydrophobicContact CD2-CB 4.34Å; F267-I430 HydrophobicContact CD1-CG1 3.82Å; F267-I430 HydrophobicContact CE1-CD1 4.29Å; F267-I430 HydrophobicContact CE1-CG1 3.7Å; R270-I430 HydrophobicContact CG-CG2 4.2Å; F419-I430 HydrophobicContact CB-CG2 4.37Å; F419-I430 HydrophobicContact CD1-CG2 3.33Å; F419-I430 HydrophobicContact CD2-CG2 3.59Å; F419-I430 HydrophobicContact CE1-CG2 3.31Å; F419-I430 HydrophobicContact CE2-CG2 3.57Å; F419-I430 HydrophobicContact CG-CG2 3.5Å; F419-I430 VanDerWaalsContact CG-CG2 3.5Å; F419-I430 HydrophobicContact CZ-CG2 3.43Å; F419-I430 VanDerWaalsContact CZ-CG2 3.43Å; I424-I430 HydrophobicContact CG1-CD1 4.01Å; I430-L479 HydrophobicContact CD1-CD2 3.79Å; I430-L479 HydrophobicContact CG1-CD2 4.29Å; I430-L483 HydrophobicContact CD1-CD2 4.34Å
431L93.4Very high91.6Very high11 Ų1116.9 Ų16.96%0.0589%0.091CC..PPolyproline II helixtrans-99.5139.5177-62-178.2000110.3T241 E245 F419 C420 A423 L429 G433T241-L431 HydrophobicContact CG2-CD2 3.37Å; E245-L431 HydrophobicContact CG-CD2 4.48Å; E245-L431 WeakPolarHBondContact OE1-CD2 3.48Å; F419-L431 CarbonylContact C-O 3.56Å; F419-L431 WeakPolarHBondContact CA-O 3.49Å; C420-L431 HydrophobicContact CB-CB 4.32Å; C420-L431 PolarHBondContact N-O 2.96Å; A423-L431 HydrophobicContact CB-CB 4.22Å; A423-L431 HydrophobicContact CB-CD1 3.88Å; A423-L431 HydrophobicContact CB-CG 4.11Å; L429-L431 HydrophobicContact CB-CG 4.24Å; L431-G433 PolarHBondContact O-N 3.38Å
432P93.4Very high91.5Very high14 Ų1418.4 Ų18.49%0.09110%0.098CC..BIsolated β-bridgetrans-61.2135.317528.3-36.3000110.3D378 R381 I382 S450D378-P432 HydrophobicContact CB-CB 4.11Å; D378-P432 HydrophobicContact CB-CG 3.88Å; R381-P432 HydrophobicContact CB-CG 4.09Å; I382-P432 HydrophobicContact CD1-CB 4.2Å; I382-P432 HydrophobicContact CG1-CB 4.25Å; P432-S450 WeakPolarHBondContact O-CB 3.17Å
433G92.8Very high91.1Very high5 Ų524.6 Ų24.65%0.05213%0.125CC..PPolyproline II helixtrans-85.9143.6170.900000111S418 L431 P435 F449S418-G433 VanDerWaalsContact O-CA 3.3Å; S418-G433 WeakPolarHBondContact O-CA 3.46Å; S418-G433 PolarHBondContact O-N 3.26Å; L431-G433 PolarHBondContact O-N 3.38Å; G433-P435 WeakPolarHBondContact O-CD 3.38Å; G433-F449 WeakPolarHBondContact CA-O 3.33Å
434N93.4Very high90.7Very high5 Ų529.4 Ų29.43%0.02715%0.15CC..  trans-106.8108.2176-177.8-2.8000110.3I382 T385 M386 A436 I437 F449I382-N434 HydrophobicContact CG1-CB 4.49Å; I382-N434 HydrophobicContact CG2-CB 4.26Å; I382-N434 PolarHBondContact O-ND2 3.39Å; T385-N434 VanDerWaalsContact C-ND2 3.3Å; T385-N434 PolarHBondContact O-ND2 3.03Å; T385-N434 PolarHBondContact OG1-ND2 3.35Å; M386-N434 PolarHBondContact N-ND2 3.04Å; N434-A436 PolarHBondContact O-N 2.89Å; N434-A436 WeakPolarHBondContact OD1-CB 3.4Å; N434-A436 PolarHBondContact OD1-N 2.96Å; N434-I437 HydrophobicContact CB-CD1 3.97Å; N434-I437 HydrophobicContact CB-CG1 3.97Å; N434-I437 WeakPolarHBondContact O-CB 3.35Å; N434-I437 PolarHBondContact O-N 3.22Å; N434-F449 PolarHBondContact N-O 3.4Å
435P91.3Very high90.5Very high37 Ų3732.8 Ų32.824%0.2416%0.163CC..G310 helixtrans-58.4-25.7176.3-25.134.5000114.3F409 I414 G433 I437 G438 I439 V448F409-P435 HydrophobicContact CE1-CB 4.02Å; F409-P435 HydrophobicContact CZ-CB 3.98Å; I414-P435 HydrophobicContact CD1-CG 4.32Å; G433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-I437 PolarHBondContact O-N 2.82Å; P435-G438 PolarHBondContact O-N 3.44Å; P435-I439 HydrophobicContact CB-CD1 4.23Å; P435-I439 HydrophobicContact CB-CG1 4.18Å; P435-V448 HydrophobicContact CG-CG1 4.23Å
436A89.9Confident90.7Very high35 Ų3533.2 Ų33.229%0.28917%0.166SC..G310 helixtrans-66.2-23.3-179.600000113.2N434 G438N434-A436 PolarHBondContact O-N 2.89Å; N434-A436 WeakPolarHBondContact OD1-CB 3.4Å; N434-A436 PolarHBondContact OD1-N 2.96Å; A436-G438 PolarHBondContact O-N 3.35Å
437I92.4Very high91Very high0 Ų028.2 Ų28.20%014%0.142CC..G310 helixtrans-63.6-34.2173.1-60.6-177.6000110.5T388 V390 N434 P435 F449 A455T388-I437 WeakPolarHBondContact O-CA 3.35Å; T388-I437 WeakPolarHBondContact O-CG1 3.42Å; V390-I437 HydrophobicContact CG1-CG2 3.83Å; V390-I437 WeakPolarHBondContact CG2-O 3.17Å; V390-I437 PolarHBondContact N-O 2.94Å; N434-I437 HydrophobicContact CB-CD1 3.97Å; N434-I437 HydrophobicContact CB-CG1 3.97Å; N434-I437 WeakPolarHBondContact O-CB 3.35Å; N434-I437 PolarHBondContact O-N 3.22Å; P435-I437 PolarHBondContact O-N 2.82Å; I437-F449 WeakPolarHBondContact CD1-O 3.37Å; I437-A455 HydrophobicContact CG2-CB 4.13Å
438G91.1Very high91.5Very high0 Ų024.1 Ų24.10%013%0.125CC..  trans128.5132.4-174.700000110.7P435 A436P435-G438 PolarHBondContact O-N 3.44Å; A436-G438 PolarHBondContact O-N 3.35Å
439I93.9Very high92Very high1 Ų123.9 Ų23.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-88.4123.8174.5-61.5177.2000108W400 L401 F409 L412 I414 P435 C446 V448W400-I439 WeakPolarHBondContact CA-O 3.28Å; L401-I439 HydrophobicContact CB-CB 4.2Å; L401-I439 PolarHBondContact N-O 2.98Å; L401-I439 PolarHBondContact O-N 3.37Å; L401-I439 VanDerWaalsContact O-N 3.08Å; F409-I439 HydrophobicContact CD2-CD1 4.26Å; F409-I439 HydrophobicContact CE1-CD1 4.21Å; F409-I439 HydrophobicContact CE2-CD1 3.51Å; F409-I439 HydrophobicContact CE2-CG1 3.98Å; F409-I439 HydrophobicContact CZ-CD1 3.49Å; F409-I439 VanDerWaalsContact CZ-CD1 3.49Å; F409-I439 HydrophobicContact CZ-CG1 3.91Å; L412-I439 HydrophobicContact CD1-CD1 3.98Å; I414-I439 HydrophobicContact CD1-CD1 4.17Å; I414-I439 HydrophobicContact CG1-CD1 4.45Å; P435-I439 HydrophobicContact CB-CD1 4.23Å; P435-I439 HydrophobicContact CB-CG1 4.18Å; I439-C446 HydrophobicContact CG2-CB 3.61Å; I439-V448 HydrophobicContact CG1-CG1 4.01Å
440L94Very high92.2Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-88.5121.7174.5179.865.5000109.7Q398 W400 C446 Y447 F449 F458 A459 P462Q398-L440 HydrophobicContact CB-CD1 3.76Å; Q398-L440 HydrophobicContact CG-CD1 4.31Å; W400-L440 HydrophobicContact CD2-CD1 4.05Å; W400-L440 HydrophobicContact CE3-CB 3.96Å; W400-L440 HydrophobicContact CE3-CD1 4.36Å; W400-L440 HydrophobicContact CH2-CB 3.99Å; W400-L440 HydrophobicContact CH2-CD1 4.33Å; W400-L440 HydrophobicContact CZ2-CD1 4.04Å; W400-L440 HydrophobicContact CZ3-CB 3.69Å; L440-C446 WeakPolarHBondContact O-CA 3.34Å; L440-Y447 PolarHBondContact N-O 2.94Å; L440-Y447 PolarHBondContact O-N 2.77Å; L440-F449 HydrophobicContact CB-CE2 3.72Å; L440-F449 HydrophobicContact CB-CZ 3.9Å; L440-F449 HydrophobicContact CD2-CZ 4.09Å; L440-F458 HydrophobicContact CD2-CD1 3.52Å; L440-F458 HydrophobicContact CD2-CE1 3.72Å; L440-A459 HydrophobicContact CD2-CB 4.37Å; L440-P462 HydrophobicContact CD2-CG 4.31Å
441K92.8Very high92.3Very high31 Ų3126.1 Ų26.114%0.13514%0.138CC..EExtended strand (participates in β ladder)trans-95.1119.8171.1175.5159.4164.2-102.70110.1E399 L401 R445 P506E399-K441 HydrophobicContact CB-CB 4.19Å; E399-K441 HydrophobicContact CG-CB 4.25Å; E399-K441 PolarHBondContact O-N 3.47Å; E399-K441 IonicContact OE1-NZ 2.65Å; E399-K441 PolarHBondContact OE1-NZ 3Å; E399-K441 IonicContact OE2-NZ 2.91Å; E399-K441 PolarHBondContact OE2-NZ 3.44Å; L401-K441 HydrophobicContact CD1-CB 4.12Å; L401-K441 HydrophobicContact CD1-CD 4.17Å; L401-K441 HydrophobicContact CG-CB 4.35Å; K441-R445 WeakPolarHBondContact CA-O 3.41Å; K441-P506 HydrophobicContact CD-CG 3.75Å
442H91.8Very high92.3Very high32 Ų3228.7 Ų28.715%0.14815%0.149CC..EExtended strand (participates in β ladder)trans-139.2126.1177.5-177.972.5000110.2D444 R445 Y447 P462 D463H442-D444 VanDerWaalsContact C-N 3.32Å; H442-D444 PolarHBondContact O-N 2.73Å; H442-R445 PolarHBondContact N-O 3.18Å; H442-R445 PolarHBondContact O-N 3.12Å; H442-Y447 HydrophobicContact CB-CD2 4.46Å; H442-Y447 HydrophobicContact CB-CE2 4.12Å; H442-P462 HydrophobicContact CB-CB 4.46Å; H442-D463 IonicContact CD2-OD1 2.81Å; H442-D463 IonicContact CE1-OD1 2.82Å; H442-D463 IonicContact NE2-OD1 2.72Å; H442-D463 PolarHBondContact NE2-OD1 3.39Å; H442-D463 IonicContact NE2-OD2 3.08Å
443K87.9Confident92.3Very high140 Ų14033.6 Ų33.661%0.60917%0.171SC*.THydrogen-bonded Turntrans50.348.1-176.9-62.9175.6176.8167.30113R445 D463K443-R445 PolarHBondContact O-N 3.15Å; K443-R445 VanDerWaalsContact O-N 3.17Å; K443-D463 WeakPolarHBondContact CE-OD1 3.25Å; K443-D463 IonicContact NZ-OD1 2.71Å; K443-D463 PolarHBondContact NZ-OD1 2.91Å; K443-D463 IonicContact NZ-OD2 3.88Å; K443-D463 PolarHBondContact NZ-OD2 3.01Å
444D84.7Confident92.4Very high102 Ų10233.9 Ų33.955%0.54517%0.172SC..THydrogen-bonded Turntrans59.918.6-177.9-66-34.9000115.6H442H442-D444 VanDerWaalsContact C-N 3.32Å; H442-D444 PolarHBondContact O-N 2.73Å
445R89.5Confident92.4Very high72 Ų7233.6 Ų33.627%0.27217%0.171SC..EExtended strand (participates in β ladder)trans-119141.4174.8-68.1-178.5-176.71760.8111Q415 K441 H442 K443 Y447 H488Q415-R445 HydrophobicContact CG-CB 3.77Å; Q415-R445 HydrophobicContact CG-CG 4.16Å; K441-R445 WeakPolarHBondContact CA-O 3.41Å; H442-R445 PolarHBondContact N-O 3.18Å; H442-R445 PolarHBondContact O-N 3.12Å; K443-R445 PolarHBondContact O-N 3.15Å; K443-R445 VanDerWaalsContact O-N 3.17Å; R445-Y447 HydrophobicContact CB-CE2 3.73Å; R445-Y447 WeakPolarHBondContact CB-OH 3.43Å; R445-Y447 WeakPolarHBondContact CD-OH 3.37Å; R445-Y447 WeakPolarHBondContact O-CE2 3.25Å; R445-H488 PolarHBondContact NH1-CE1 3.47Å; R445-H488 PolarHBondContact NH1-NE2 3.28Å; R445-H488 PolarHBondContact NH2-CE1 3.23Å; R445-H488 VanDerWaalsContact NH2-CE1 3.35Å; R445-H488 PolarHBondContact NH2-NE2 3.17Å; R445-H488 VanDerWaalsContact NH2-NE2 3.12Å
446C92.6Very high92.5Very high9 Ų934 Ų346%0.06117%0.167CC..EExtended strand (participates in β ladder)trans-100.7133.5-178.6-680000110.8Q415 I439 L440Q415-C446 WeakPolarHBondContact CB-O 3.47Å; Q415-C446 PolarHBondContact N-O 3.06Å; I439-C446 HydrophobicContact CG2-CB 3.61Å; L440-C446 WeakPolarHBondContact O-CA 3.34Å
447Y94.8Very high92.7Very high2 Ų235.5 Ų35.51%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-127.8144.9-179-56.2-83.5000111.2Q415 Y416 A421 L440 H442 R445 F458 I466Q415-Y447 HydrophobicContact CB-CD1 3.89Å; Q415-Y447 HydrophobicContact CB-CE1 3.73Å; Q415-Y447 HydrophobicContact CG-CD1 4.31Å; Q415-Y447 HydrophobicContact CG-CE1 3.83Å; Y416-Y447 HydrophobicContact CD2-CD1 4.09Å; Y416-Y447 HydrophobicContact CD2-CE1 4.3Å; Y416-Y447 AromaticContact CE2-CD1 3.64Å; Y416-Y447 HydrophobicContact CE2-CD1 3.64Å; Y416-Y447 AromaticContact CE2-CE1 3.53Å; Y416-Y447 HydrophobicContact CE2-CE1 3.53Å; Y416-Y447 AromaticContact CZ-CE1 3.88Å; A421-Y447 HydrophobicContact CB-CD1 3.95Å; A421-Y447 HydrophobicContact CB-CG 4.4Å; L440-Y447 PolarHBondContact N-O 2.94Å; L440-Y447 PolarHBondContact O-N 2.77Å; H442-Y447 HydrophobicContact CB-CD2 4.46Å; H442-Y447 HydrophobicContact CB-CE2 4.12Å; R445-Y447 HydrophobicContact CB-CE2 3.73Å; R445-Y447 WeakPolarHBondContact CB-OH 3.43Å; R445-Y447 WeakPolarHBondContact CD-OH 3.37Å; R445-Y447 WeakPolarHBondContact O-CE2 3.25Å; Y447-F458 HydrophobicContact CD1-CZ 4.34Å; Y447-F458 HydrophobicContact CD2-CE1 4.33Å; Y447-F458 HydrophobicContact CD2-CZ 4.38Å; Y447-F458 HydrophobicContact CG-CE1 4.35Å; Y447-F458 HydrophobicContact CG-CZ 4.16Å; Y447-I466 HydrophobicContact CE1-CG1 4.29Å; Y447-I466 HydrophobicContact CE2-CD1 4.16Å; Y447-I466 WeakPolarHBondContact OH-CD1 3.19Å
448V95.1Very high92.9Very high1 Ų135.5 Ų35.51%0.00617%0.17CC..BIsolated β-bridgetrans-120.4164.2177.9-70.80000111.7I414 S418 C420 A421 P435 I439I414-V448 HydrophobicContact CD1-CG1 3.89Å; I414-V448 HydrophobicContact CG1-CG1 4.41Å; I414-V448 HydrophobicContact CG2-CB 4.2Å; I414-V448 HydrophobicContact CG2-CG1 3.71Å; I414-V448 HydrophobicContact CG2-CG2 3.59Å; S418-V448 VanDerWaalsContact C-CG2 3.49Å; S418-V448 VanDerWaalsContact O-CG2 3.24Å; S418-V448 WeakPolarHBondContact O-CG2 3.33Å; C420-V448 WeakPolarHBondContact CA-O 3.26Å; A421-V448 PolarHBondContact N-O 3.2Å; A421-V448 VanDerWaalsContact N-O 3.08Å; P435-V448 HydrophobicContact CG-CG1 4.23Å; I439-V448 HydrophobicContact CG1-CG1 4.01Å
449F95.8Very high93Very high0 Ų035.6 Ų35.60%017%0.171CC..  trans-137148.8-171.6-51-75.5000111.6W400 A421 H422 G433 N434 I437 L440 A455 F458W400-F449 HydrophobicContact CH2-CD2 4.44Å; W400-F449 AromaticContact CH2-CE2 3.92Å; W400-F449 HydrophobicContact CH2-CE2 3.92Å; W400-F449 HydrophobicContact CZ3-CD2 4.23Å; W400-F449 AromaticContact CZ3-CE2 3.78Å; W400-F449 HydrophobicContact CZ3-CE2 3.78Å; A421-F449 HydrophobicContact CB-CE1 4.25Å; H422-F449 HydrophobicContact CB-CD1 4.36Å; G433-F449 WeakPolarHBondContact CA-O 3.33Å; N434-F449 PolarHBondContact N-O 3.4Å; I437-F449 WeakPolarHBondContact CD1-O 3.37Å; L440-F449 HydrophobicContact CB-CE2 3.72Å; L440-F449 HydrophobicContact CB-CZ 3.9Å; L440-F449 HydrophobicContact CD2-CZ 4.09Å; F449-A455 HydrophobicContact CB-CB 3.85Å; F449-A455 HydrophobicContact CD1-CB 4.32Å; F449-A455 HydrophobicContact CD2-CB 3.41Å; F449-A455 VanDerWaalsContact CD2-CB 3.41Å; F449-A455 HydrophobicContact CE2-CB 4.06Å; F449-A455 VanDerWaalsContact CG-CA 3.49Å; F449-A455 HydrophobicContact CG-CB 3.57Å; F449-F458 HydrophobicContact CD1-CB 4.22Å; F449-F458 HydrophobicContact CD1-CG 4.5Å; F449-F458 HydrophobicContact CE1-CB 3.46Å; F449-F458 VanDerWaalsContact CE1-CB 3.46Å; F449-F458 AromaticContact CE1-CD1 3.65Å; F449-F458 HydrophobicContact CE1-CD1 3.65Å; F449-F458 AromaticContact CE1-CD2 3.91Å; F449-F458 HydrophobicContact CE1-CD2 3.91Å; F449-F458 HydrophobicContact CE1-CE1 4.31Å; F449-F458 AromaticContact CE1-CG 3.41Å; F449-F458 HydrophobicContact CE1-CG 3.41Å; F449-F458 VanDerWaalsContact CE1-CG 3.41Å; F449-F458 HydrophobicContact CZ-CB 4.05Å; F449-F458 AromaticContact CZ-CD1 3.6Å; F449-F458 HydrophobicContact CZ-CD1 3.6Å; F449-F458 HydrophobicContact CZ-CE1 4.16Å; F449-F458 AromaticContact CZ-CG 3.88Å; F449-F458 HydrophobicContact CZ-CG 3.88Å
450S94.2Very high92.9Very high25 Ų2542.8 Ų42.818%0.17520%0.204CC..SBendtrans-81.4-19.5176.556.70000112.8T385 C420 P432T385-S450 WeakPolarHBondContact CG2-O 3.21Å; C420-S450 PolarHBondContact SG-N 3.07Å; C420-S450 PolarHBondContact SG-OG 3.19Å; P432-S450 WeakPolarHBondContact O-CB 3.17Å
451S93.8Very high92.8Very high26 Ų2646.6 Ų46.618%0.18223%0.225CC..SBendtrans-149.4160.7178.289.80000111.7E453 S454 A455S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 WeakPolarHBondContact CB-OE2 3.29Å; S451-E453 PolarHBondContact O-N 3.47Å; S451-E453 PolarHBondContact OG-N 3.34Å; S451-E453 PolarHBondContact OG-OE2 3.28Å; S451-S454 WeakPolarHBondContact O-CB 3.22Å; S451-S454 PolarHBondContact O-N 3.08Å; S451-S454 PolarHBondContact OG-N 3.46Å; S451-S454 VanDerWaalsContact OG-N 3.14Å; S451-S454 PolarHBondContact OG-OG 3.02Å; S451-A455 PolarHBondContact O-N 3.36Å
452K93.5Very high92.8Very high65 Ų6545.5 Ų45.528%0.28322%0.221SC..Hα-helixtrans-60.8-39.4175.6179.9175.3176.4161.70111.4R389 V390 S454 A455 Y456R389-K452 WeakPolarHBondContact O-CD 3.49Å; R389-K452 WeakPolarHBondContact O-CE 3.4Å; R389-K452 PolarHBondContact O-NZ 2.97Å; V390-K452 HydrophobicContact CG1-CG 4.42Å; K452-S454 PolarHBondContact O-N 3.14Å; K452-A455 WeakPolarHBondContact O-CB 3.26Å; K452-A455 PolarHBondContact O-N 2.94Å; K452-Y456 HydrophobicContact CD-CE2 4.2Å; K452-Y456 VanDerWaalsContact CE-CE2 3.42Å; K452-Y456 WeakPolarHBondContact CE-OH 3.39Å; K452-Y456 HydrophobicContact CG-CD2 3.89Å; K452-Y456 HydrophobicContact CG-CE2 3.65Å; K452-Y456 WeakPolarHBondContact O-CD2 3.27Å; K452-Y456 PolarHBondContact O-N 3.49Å
453E93.1Very high92.9Very high117 Ų11747.2 Ų47.255%0.54723%0.231SC..Hα-helixtrans-63.2-44.7178.9-57.167.3-142.300110.3S451 A455 Y456 I457S451-E453 VanDerWaalsContact C-N 3.28Å; S451-E453 WeakPolarHBondContact CB-OE2 3.29Å; S451-E453 PolarHBondContact O-N 3.47Å; S451-E453 PolarHBondContact OG-N 3.34Å; S451-E453 PolarHBondContact OG-OE2 3.28Å; E453-A455 VanDerWaalsContact C-N 3.29Å; E453-A455 PolarHBondContact O-N 3.4Å; E453-Y456 PolarHBondContact O-N 3.35Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.47Å; E453-I457 PolarHBondContact O-N 2.91Å
454S94.1Very high93.2Very high11 Ų1145.8 Ų45.88%0.07723%0.225CC..Hα-helixtrans-60.1-40.5175.8-64.80000111.7H422 S451 K452 F458H422-S454 WeakPolarHBondContact ND1-CB 3.45Å; H422-S454 PolarHBondContact ND1-OG 3.46Å; S451-S454 WeakPolarHBondContact O-CB 3.22Å; S451-S454 PolarHBondContact O-N 3.08Å; S451-S454 PolarHBondContact OG-N 3.46Å; S451-S454 VanDerWaalsContact OG-N 3.14Å; S451-S454 PolarHBondContact OG-OG 3.02Å; K452-S454 PolarHBondContact O-N 3.14Å; S454-F458 VanDerWaalsContact O-CB 3.31Å; S454-F458 WeakPolarHBondContact O-CB 3.41Å; S454-F458 PolarHBondContact O-N 3.21Å
455A94.3Very high93.6Very high0 Ų041.3 Ų41.30%020%0.201CC..Hα-helixtrans-63.3-43.3175.700000111.9V390 W400 I437 F449 S451 K452 E453 A459V390-A455 HydrophobicContact CG1-CB 3.67Å; W400-A455 HydrophobicContact CH2-CB 3.87Å; W400-A455 HydrophobicContact CZ3-CB 4.37Å; I437-A455 HydrophobicContact CG2-CB 4.13Å; F449-A455 HydrophobicContact CB-CB 3.85Å; F449-A455 HydrophobicContact CD1-CB 4.32Å; F449-A455 HydrophobicContact CD2-CB 3.41Å; F449-A455 VanDerWaalsContact CD2-CB 3.41Å; F449-A455 HydrophobicContact CE2-CB 4.06Å; F449-A455 VanDerWaalsContact CG-CA 3.49Å; F449-A455 HydrophobicContact CG-CB 3.57Å; S451-A455 PolarHBondContact O-N 3.36Å; K452-A455 WeakPolarHBondContact O-CB 3.26Å; K452-A455 PolarHBondContact O-N 2.94Å; E453-A455 VanDerWaalsContact C-N 3.29Å; E453-A455 PolarHBondContact O-N 3.4Å; A455-A459 WeakPolarHBondContact O-CB 3.42Å; A455-A459 PolarHBondContact O-N 3.36Å
456Y94.1Very high93.8Very high44 Ų4439 Ų3917%0.17319%0.193CC..Hα-helixtrans-67.6-44.9179-86.2-123.7000112V390 N391 D394 F395 K452 E453 F458 A459 Q460V390-Y456 HydrophobicContact CB-CE2 3.8Å; V390-Y456 HydrophobicContact CG1-CD2 4.04Å; V390-Y456 HydrophobicContact CG1-CE2 3.74Å; N391-Y456 PolarHBondContact N-OH 3.07Å; D394-Y456 HydrophobicContact CB-CE1 4.15Å; D394-Y456 VanDerWaalsContact OD2-CE1 3.23Å; D394-Y456 WeakPolarHBondContact OD2-CE1 3.28Å; D394-Y456 VanDerWaalsContact OD2-CZ 3.24Å; D394-Y456 PolarHBondContact OD2-OH 3.08Å; F395-Y456 AromaticContact CE2-CD1 3.64Å; F395-Y456 HydrophobicContact CE2-CD1 3.64Å; F395-Y456 HydrophobicContact CE2-CD2 4.04Å; F395-Y456 AromaticContact CE2-CE1 3.76Å; F395-Y456 HydrophobicContact CE2-CE1 3.76Å; F395-Y456 HydrophobicContact CE2-CE2 4.17Å; F395-Y456 AromaticContact CE2-CG 3.79Å; F395-Y456 HydrophobicContact CE2-CG 3.79Å; F395-Y456 AromaticContact CZ-CD1 3.66Å; F395-Y456 HydrophobicContact CZ-CD1 3.66Å; F395-Y456 HydrophobicContact CZ-CD2 4.48Å; F395-Y456 HydrophobicContact CZ-CE1 4.2Å; F395-Y456 AromaticContact CZ-CG 3.83Å; F395-Y456 HydrophobicContact CZ-CG 3.83Å; K452-Y456 HydrophobicContact CD-CE2 4.2Å; K452-Y456 VanDerWaalsContact CE-CE2 3.42Å; K452-Y456 WeakPolarHBondContact CE-OH 3.39Å; K452-Y456 HydrophobicContact CG-CD2 3.89Å; K452-Y456 HydrophobicContact CG-CE2 3.65Å; K452-Y456 WeakPolarHBondContact O-CD2 3.27Å; K452-Y456 PolarHBondContact O-N 3.49Å; E453-Y456 PolarHBondContact O-N 3.35Å; Y456-F458 VanDerWaalsContact C-N 3.34Å; Y456-F458 PolarHBondContact O-N 3.43Å; Y456-A459 PolarHBondContact O-N 2.99Å; Y456-Q460 WeakPolarHBondContact O-CG 3.38Å; Y456-Q460 PolarHBondContact O-N 3.31Å
457I94.3Very high93.7Very high67 Ų6744.2 Ų44.234%0.34422%0.217SC..Hα-helixtrans-61.5-45.6178.4-67.7164.5000109.9H422 E453 Q460 F465H422-I457 WeakPolarHBondContact NE2-CG2 3.3Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.47Å; E453-I457 PolarHBondContact O-N 2.91Å; I457-Q460 PolarHBondContact O-N 3.11Å; I457-F465 HydrophobicContact CG2-CE1 4.44Å; I457-F465 HydrophobicContact CG2-CE2 3.87Å; I457-F465 HydrophobicContact CG2-CZ 3.47Å; I457-F465 VanDerWaalsContact CG2-CZ 3.47Å; I457-F465 WeakPolarHBondContact O-CE2 3.5Å
458F94.6Very high93.7Very high0 Ų045.8 Ų45.80%023%0.225CC..Hα-helixtrans-63.4-43.2177.3-171.4-83.4000112.2A421 H422 L440 Y447 F449 S454 Y456 Q460 N461 P462 F465 I466A421-F458 HydrophobicContact CB-CD2 4.17Å; A421-F458 HydrophobicContact CB-CE2 3.67Å; A421-F458 HydrophobicContact CB-CZ 4.13Å; H422-F458 HydrophobicContact CB-CB 4.36Å; H422-F458 HydrophobicContact CB-CD2 4.4Å; L440-F458 HydrophobicContact CD2-CD1 3.52Å; L440-F458 HydrophobicContact CD2-CE1 3.72Å; Y447-F458 HydrophobicContact CD1-CZ 4.34Å; Y447-F458 HydrophobicContact CD2-CE1 4.33Å; Y447-F458 HydrophobicContact CD2-CZ 4.38Å; Y447-F458 HydrophobicContact CG-CE1 4.35Å; Y447-F458 HydrophobicContact CG-CZ 4.16Å; F449-F458 HydrophobicContact CD1-CB 4.22Å; F449-F458 HydrophobicContact CD1-CG 4.5Å; F449-F458 HydrophobicContact CE1-CB 3.46Å; F449-F458 VanDerWaalsContact CE1-CB 3.46Å; F449-F458 AromaticContact CE1-CD1 3.65Å; F449-F458 HydrophobicContact CE1-CD1 3.65Å; F449-F458 AromaticContact CE1-CD2 3.91Å; F449-F458 HydrophobicContact CE1-CD2 3.91Å; F449-F458 HydrophobicContact CE1-CE1 4.31Å; F449-F458 AromaticContact CE1-CG 3.41Å; F449-F458 HydrophobicContact CE1-CG 3.41Å; F449-F458 VanDerWaalsContact CE1-CG 3.41Å; F449-F458 HydrophobicContact CZ-CB 4.05Å; F449-F458 AromaticContact CZ-CD1 3.6Å; F449-F458 HydrophobicContact CZ-CD1 3.6Å; F449-F458 HydrophobicContact CZ-CE1 4.16Å; F449-F458 AromaticContact CZ-CG 3.88Å; F449-F458 HydrophobicContact CZ-CG 3.88Å; S454-F458 VanDerWaalsContact O-CB 3.31Å; S454-F458 WeakPolarHBondContact O-CB 3.41Å; S454-F458 PolarHBondContact O-N 3.21Å; Y456-F458 VanDerWaalsContact C-N 3.34Å; Y456-F458 PolarHBondContact O-N 3.43Å; F458-Q460 PolarHBondContact O-N 2.65Å; F458-N461 CarbonylContact O-C 3.45Å; F458-N461 PolarHBondContact O-N 3.47Å; F458-N461 VanDerWaalsContact O-N 3.13Å; F458-P462 HydrophobicContact CD1-CB 4.13Å; F458-P462 HydrophobicContact CD1-CG 4.36Å; F458-P462 HydrophobicContact CE1-CB 3.65Å; F458-P462 HydrophobicContact CE1-CG 4.29Å; F458-P462 HydrophobicContact CZ-CB 4.25Å; F458-P462 WeakPolarHBondContact O-CA 3.41Å; F458-P462 VanDerWaalsContact O-CD 3.3Å; F458-P462 WeakPolarHBondContact O-CD 3.35Å; F458-P462 WeakPolarHBondContact O-CG 3.47Å; F458-F465 HydrophobicContact CB-CD2 4.31Å; F458-F465 HydrophobicContact CD2-CB 3.34Å; F458-F465 AromaticContact CD2-CD2 3.86Å; F458-F465 HydrophobicContact CD2-CD2 3.86Å; F458-F465 AromaticContact CD2-CG 3.72Å; F458-F465 HydrophobicContact CD2-CG 3.72Å; F458-F465 HydrophobicContact CE2-CB 3.32Å; F458-F465 HydrophobicContact CE2-CG 4.22Å; F458-F465 HydrophobicContact CG-CB 4.4Å; F458-F465 HydrophobicContact CG-CD2 4.23Å; F458-F465 HydrophobicContact CZ-CB 4.37Å; F458-I466 HydrophobicContact CZ-CD1 4.48Å; F458-I466 HydrophobicContact CZ-CG1 4.05Å
459A93.7Very high93.5Very high3 Ų345.8 Ų45.83%0.02523%0.225CC..Hα-helixtrans-64.7-21.7-178.600000114.3F395 Q398 W400 L440 A455 Y456F395-A459 HydrophobicContact CD1-CB 3.91Å; F395-A459 HydrophobicContact CD2-CB 4.41Å; F395-A459 HydrophobicContact CE1-CB 3.67Å; F395-A459 HydrophobicContact CE2-CB 4.19Å; F395-A459 HydrophobicContact CG-CB 4.28Å; F395-A459 HydrophobicContact CZ-CB 3.82Å; Q398-A459 HydrophobicContact CG-CB 4.43Å; Q398-A459 PolarHBondContact NE2-O 3.17Å; W400-A459 HydrophobicContact CH2-CB 4.35Å; W400-A459 HydrophobicContact CZ2-CB 3.7Å; L440-A459 HydrophobicContact CD2-CB 4.37Å; A455-A459 WeakPolarHBondContact O-CB 3.42Å; A455-A459 PolarHBondContact O-N 3.36Å; Y456-A459 PolarHBondContact O-N 2.99Å
460Q92.8Very high93.2Very high151 Ų15146.9 Ų46.971%0.70623%0.232SC*.Hα-helixtrans-67.2-38.8173-70.9173.914.400112.3F395 Y456 I457 F458F395-Q460 HydrophobicContact CE1-CG 4.42Å; Y456-Q460 WeakPolarHBondContact O-CG 3.38Å; Y456-Q460 PolarHBondContact O-N 3.31Å; I457-Q460 PolarHBondContact O-N 3.11Å; F458-Q460 PolarHBondContact O-N 2.65Å
461N91.8Very high93Very high81 Ų8149 Ų4943%0.43324%0.239SC..  trans-150.778.5177.7-167.6-15.3000111.8F458 D463 K464 F465F458-N461 CarbonylContact O-C 3.45Å; F458-N461 PolarHBondContact O-N 3.47Å; F458-N461 VanDerWaalsContact O-N 3.13Å; N461-D463 VanDerWaalsContact C-N 3.29Å; N461-D463 PolarHBondContact O-N 3.26Å; N461-K464 HydrophobicContact CB-CB 4.18Å; N461-K464 PolarHBondContact O-N 3.1Å; N461-K464 PolarHBondContact OD1-N 3.29Å; N461-F465 VanDerWaalsContact O-CD2 3.31Å; N461-F465 WeakPolarHBondContact O-CD2 3.45Å
462P93.2Very high92.9Very high7 Ų750 Ų505%0.04524%0.24CC..Hα-helixtrans-59.1-38.7-177.4-27.936.6000113.2L440 H442 F458 K464 F465 I466L440-P462 HydrophobicContact CD2-CG 4.31Å; H442-P462 HydrophobicContact CB-CB 4.46Å; F458-P462 HydrophobicContact CD1-CB 4.13Å; F458-P462 HydrophobicContact CD1-CG 4.36Å; F458-P462 HydrophobicContact CE1-CB 3.65Å; F458-P462 HydrophobicContact CE1-CG 4.29Å; F458-P462 HydrophobicContact CZ-CB 4.25Å; F458-P462 WeakPolarHBondContact O-CA 3.41Å; F458-P462 VanDerWaalsContact O-CD 3.3Å; F458-P462 WeakPolarHBondContact O-CD 3.35Å; F458-P462 WeakPolarHBondContact O-CG 3.47Å; P462-K464 VanDerWaalsContact C-N 3.33Å; P462-K464 PolarHBondContact O-N 3.39Å; P462-F465 PolarHBondContact O-N 2.96Å; P462-I466 WeakPolarHBondContact O-CD1 3.4Å; P462-I466 VanDerWaalsContact O-CG1 3.28Å; P462-I466 WeakPolarHBondContact O-CG1 3.26Å; P462-I466 PolarHBondContact O-N 2.91Å
463D93.6Very high92.7Very high69 Ų6946.9 Ų46.937%0.36923%0.227SC..Hα-helixtrans-64-37.5-176.7-76.1-22.7000112.3H442 K443 N461 F465 I466 Q467H442-D463 IonicContact CD2-OD1 2.81Å; H442-D463 IonicContact CE1-OD1 2.82Å; H442-D463 IonicContact NE2-OD1 2.72Å; H442-D463 PolarHBondContact NE2-OD1 3.39Å; H442-D463 IonicContact NE2-OD2 3.08Å; K443-D463 WeakPolarHBondContact CE-OD1 3.25Å; K443-D463 IonicContact NZ-OD1 2.71Å; K443-D463 PolarHBondContact NZ-OD1 2.91Å; K443-D463 IonicContact NZ-OD2 3.88Å; K443-D463 PolarHBondContact NZ-OD2 3.01Å; N461-D463 VanDerWaalsContact C-N 3.29Å; N461-D463 PolarHBondContact O-N 3.26Å; D463-F465 PolarHBondContact O-N 3.42Å; D463-I466 PolarHBondContact O-N 2.9Å; D463-Q467 WeakPolarHBondContact O-CB 3.49Å; D463-Q467 PolarHBondContact O-N 3.48Å
464K94.4Very high92.5Very high110 Ų11044.9 Ų44.948%0.47822%0.216SC..Hα-helixtrans-58.3-48.5174.4179.6-168.4172.9-162.50111.3N461 P462 Q467 L468N461-K464 HydrophobicContact CB-CB 4.18Å; N461-K464 PolarHBondContact O-N 3.1Å; N461-K464 PolarHBondContact OD1-N 3.29Å; P462-K464 VanDerWaalsContact C-N 3.33Å; P462-K464 PolarHBondContact O-N 3.39Å; K464-Q467 PolarHBondContact O-N 3.41Å; K464-L468 WeakPolarHBondContact O-CB 3.35Å; K464-L468 PolarHBondContact O-N 3.47Å
465F93.3Very high92.3Very high7 Ų746.6 Ų46.63%0.03122%0.223CC..Hα-helixtrans-73.9-33.4-176.7-69.4-73.6000112.4H422 E426 I457 F458 N461 P462 D463 Q467 L468 N469H422-F465 AromaticContact CD2-CD1 3.89Å; H422-F465 AromaticContact CD2-CE1 3.43Å; H422-F465 VanDerWaalsContact CD2-CE1 3.43Å; H422-F465 WeakPolarHBondContact CD2-CE1 3.37Å; H422-F465 AromaticContact CD2-CZ 3.72Å; H422-F465 AromaticContact NE2-CE1 3.87Å; E426-F465 HydrophobicContact CB-CE1 4.47Å; I457-F465 HydrophobicContact CG2-CE1 4.44Å; I457-F465 HydrophobicContact CG2-CE2 3.87Å; I457-F465 HydrophobicContact CG2-CZ 3.47Å; I457-F465 VanDerWaalsContact CG2-CZ 3.47Å; I457-F465 WeakPolarHBondContact O-CE2 3.5Å; F458-F465 HydrophobicContact CB-CD2 4.31Å; F458-F465 HydrophobicContact CD2-CB 3.34Å; F458-F465 AromaticContact CD2-CD2 3.86Å; F458-F465 HydrophobicContact CD2-CD2 3.86Å; F458-F465 AromaticContact CD2-CG 3.72Å; F458-F465 HydrophobicContact CD2-CG 3.72Å; F458-F465 HydrophobicContact CE2-CB 3.32Å; F458-F465 HydrophobicContact CE2-CG 4.22Å; F458-F465 HydrophobicContact CG-CB 4.4Å; F458-F465 HydrophobicContact CG-CD2 4.23Å; F458-F465 HydrophobicContact CZ-CB 4.37Å; N461-F465 VanDerWaalsContact O-CD2 3.31Å; N461-F465 WeakPolarHBondContact O-CD2 3.45Å; P462-F465 PolarHBondContact O-N 2.96Å; D463-F465 PolarHBondContact O-N 3.42Å; F465-Q467 VanDerWaalsContact C-N 3.32Å; F465-Q467 PolarHBondContact O-N 2.97Å; F465-L468 HydrophobicContact CD1-CD2 4.3Å; F465-L468 PolarHBondContact O-N 3.39Å; F465-N469 WeakPolarHBondContact O-CB 3.23Å; F465-N469 PolarHBondContact O-N 3.23Å; F465-N469 PolarHBondContact O-OD1 3.42Å; F465-N469 VanDerWaalsContact O-OD1 3.07Å
466I92.6Very high92.2Very high23 Ų2347.8 Ų47.812%0.11823%0.229CC..Hα-helixtrans-61.6-43171.8-67.1163.2000110.6Y447 F458 P462 D463 N469 T470Y447-I466 HydrophobicContact CE1-CG1 4.29Å; Y447-I466 HydrophobicContact CE2-CD1 4.16Å; Y447-I466 WeakPolarHBondContact OH-CD1 3.19Å; F458-I466 HydrophobicContact CZ-CD1 4.48Å; F458-I466 HydrophobicContact CZ-CG1 4.05Å; P462-I466 WeakPolarHBondContact O-CD1 3.4Å; P462-I466 VanDerWaalsContact O-CG1 3.28Å; P462-I466 WeakPolarHBondContact O-CG1 3.26Å; P462-I466 PolarHBondContact O-N 2.91Å; D463-I466 PolarHBondContact O-N 2.9Å; I466-N469 PolarHBondContact O-N 3.29Å; I466-T470 PolarHBondContact O-N 3.22Å; I466-T470 VanDerWaalsContact O-N 3.13Å; I466-T470 PolarHBondContact O-OG1 2.93Å
467Q91.4Very high92Very high119 Ų11946 Ų4656%0.55622%0.223SC*.Hα-helixtrans-63.1-45.8173.9-179.8176.3-1100111.3D463 K464 F465 N469 T470 E471D463-Q467 WeakPolarHBondContact O-CB 3.49Å; D463-Q467 PolarHBondContact O-N 3.48Å; K464-Q467 PolarHBondContact O-N 3.41Å; F465-Q467 VanDerWaalsContact C-N 3.32Å; F465-Q467 PolarHBondContact O-N 2.97Å; Q467-N469 VanDerWaalsContact C-N 3.32Å; Q467-N469 PolarHBondContact O-N 3.46Å; Q467-T470 CarbonylContact O-C 3.34Å; Q467-T470 WeakPolarHBondContact O-CA 3.27Å; Q467-T470 VanDerWaalsContact O-CB 3.32Å; Q467-T470 WeakPolarHBondContact O-CB 3.31Å; Q467-T470 PolarHBondContact O-N 3.21Å; Q467-E471 HydrophobicContact CG-CG 4.44Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.43Å; Q467-E471 PolarHBondContact NE2-OE1 3.01Å; Q467-E471 WeakPolarHBondContact O-CG 3.45Å; Q467-E471 PolarHBondContact O-N 2.87Å
468L93.1Very high91.9Very high36 Ų3643.1 Ų43.119%0.18821%0.208CC..Hα-helixtrans-61.8-39.2179.5-169.761.2000112.2G425 K464 F465 T470 E471 K472G425-L468 WeakPolarHBondContact O-CD2 3.49Å; G425-L468 VanDerWaalsContact O-CG 3.29Å; G425-L468 WeakPolarHBondContact O-CG 3.27Å; K464-L468 WeakPolarHBondContact O-CB 3.35Å; K464-L468 PolarHBondContact O-N 3.47Å; F465-L468 HydrophobicContact CD1-CD2 4.3Å; F465-L468 PolarHBondContact O-N 3.39Å; L468-T470 VanDerWaalsContact C-N 3.29Å; L468-T470 PolarHBondContact O-N 3.36Å; L468-E471 PolarHBondContact O-N 3.4Å; L468-K472 VanDerWaalsContact O-CG 3.32Å; L468-K472 WeakPolarHBondContact O-CG 3.33Å; L468-K472 PolarHBondContact O-N 3.49Å
469N92.6Very high91.8Very high0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-62.5-39.2173.8-670.5000111.3Y416 A421 I424 G425 F465 I466 Q467 K472 A473Y416-N469 WeakPolarHBondContact CE2-ND2 3.35Å; A421-N469 PolarHBondContact O-ND2 3.35Å; A421-N469 PolarHBondContact O-OD1 2.81Å; A421-N469 VanDerWaalsContact O-OD1 3.08Å; I424-N469 HydrophobicContact CG2-CB 4.2Å; G425-N469 WeakPolarHBondContact CA-OD1 3.34Å; G425-N469 PolarHBondContact N-OD1 2.85Å; F465-N469 WeakPolarHBondContact O-CB 3.23Å; F465-N469 PolarHBondContact O-N 3.23Å; F465-N469 PolarHBondContact O-OD1 3.42Å; F465-N469 VanDerWaalsContact O-OD1 3.07Å; I466-N469 PolarHBondContact O-N 3.29Å; Q467-N469 VanDerWaalsContact C-N 3.32Å; Q467-N469 PolarHBondContact O-N 3.46Å; N469-K472 PolarHBondContact O-N 2.96Å; N469-A473 PolarHBondContact O-N 3Å
470T89.6Confident91.4Very high23 Ų2343.1 Ų43.114%0.14121%0.207CC..Hα-helixtrans-67-41.1176.1-53.50000111.2I466 Q467 L468 A473 K474 F489I466-T470 PolarHBondContact O-N 3.22Å; I466-T470 VanDerWaalsContact O-N 3.13Å; I466-T470 PolarHBondContact O-OG1 2.93Å; Q467-T470 CarbonylContact O-C 3.34Å; Q467-T470 WeakPolarHBondContact O-CA 3.27Å; Q467-T470 VanDerWaalsContact O-CB 3.32Å; Q467-T470 WeakPolarHBondContact O-CB 3.31Å; Q467-T470 PolarHBondContact O-N 3.21Å; L468-T470 VanDerWaalsContact C-N 3.29Å; L468-T470 PolarHBondContact O-N 3.36Å; T470-A473 PolarHBondContact O-N 3.43Å; T470-K474 WeakPolarHBondContact O-CG 3.5Å; T470-K474 PolarHBondContact O-N 3.37Å; T470-K474 VanDerWaalsContact O-N 3.1Å; T470-F489 HydrophobicContact CG2-CZ 4.06Å
471E89.8Confident91.2Very high70 Ų7036.8 Ų36.833%0.32718%0.178SC..Hα-helixtrans-63.5-42.7175.3-71.7169.7-176.500111.2Q467 L468 A473 K474 E475Q467-E471 HydrophobicContact CG-CG 4.44Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.43Å; Q467-E471 PolarHBondContact NE2-OE1 3.01Å; Q467-E471 WeakPolarHBondContact O-CG 3.45Å; Q467-E471 PolarHBondContact O-N 2.87Å; L468-E471 PolarHBondContact O-N 3.4Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 3.27Å; E471-K474 WeakPolarHBondContact O-CB 3.39Å; E471-K474 PolarHBondContact O-N 3.44Å; E471-K474 VanDerWaalsContact O-N 3.08Å; E471-E475 PolarHBondContact O-N 2.95Å
472K91.4Very high91.1Very high47 Ų4733 Ų3320%0.20416%0.157CC..Hα-helixtrans-61.5-39.2174.7-71.6-72157.3-1500112.7L468 N469 K474 E475 H476 L479L468-K472 VanDerWaalsContact O-CG 3.32Å; L468-K472 WeakPolarHBondContact O-CG 3.33Å; L468-K472 PolarHBondContact O-N 3.49Å; N469-K472 PolarHBondContact O-N 2.96Å; K472-K474 VanDerWaalsContact C-N 3.29Å; K472-K474 PolarHBondContact O-N 2.98Å; K472-E475 IonicContact NZ-OE1 3.66Å; K472-E475 IonicContact NZ-OE2 3.83Å; K472-E475 PolarHBondContact NZ-OE2 3.36Å; K472-E475 PolarHBondContact O-N 3.5Å; K472-H476 PolarHBondContact O-N 2.83Å; K472-L479 HydrophobicContact CB-CD1 4.5Å
473A89.9Confident91Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-70.5-22.8175.100000113.9N469 T470 E471 H476 L479 I480 L485N469-A473 PolarHBondContact O-N 3Å; T470-A473 PolarHBondContact O-N 3.43Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 3.27Å; A473-H476 CarbonylContact C-O 3.19Å; A473-H476 CarbonylContact O-C 3.43Å; A473-L479 HydrophobicContact CB-CB 4.11Å; A473-I480 HydrophobicContact CB-CG1 4.31Å; A473-I480 WeakPolarHBondContact O-CG1 3.3Å; A473-L485 HydrophobicContact CB-CD1 3.36Å
474K87.9Confident90.5Very high75 Ų7532.2 Ų32.233%0.32615%0.151SC..Hα-helixtrans-75.2-38.2170.2-70.2173.9-178.7176.40111.9L42 D43 T470 E471 K472 F489L42-K474 HydrophobicContact CB-CG 4.42Å; L42-K474 WeakPolarHBondContact O-CB 3.49Å; D43-K474 WeakPolarHBondContact CA-O 3.2Å; T470-K474 WeakPolarHBondContact O-CG 3.5Å; T470-K474 PolarHBondContact O-N 3.37Å; T470-K474 VanDerWaalsContact O-N 3.1Å; E471-K474 WeakPolarHBondContact O-CB 3.39Å; E471-K474 PolarHBondContact O-N 3.44Å; E471-K474 VanDerWaalsContact O-N 3.08Å; K472-K474 VanDerWaalsContact C-N 3.29Å; K472-K474 PolarHBondContact O-N 2.98Å; K474-F489 HydrophobicContact CD-CE1 4.39Å; K474-F489 HydrophobicContact CG-CE1 3.78Å; K474-F489 HydrophobicContact CG-CZ 3.81Å
475E90.5Very high89.8Confident46 Ų4627 Ų2722%0.21513%0.128CC..Hα-helixtrans-68.7-36174.7-68.7174.6179.600112.1P44 R45 E471 K472P44-E475 HydrophobicContact CG-CG 3.89Å; R45-E475 PolarHBondContact NH2-O 3.04Å; E471-E475 PolarHBondContact O-N 2.95Å; K472-E475 IonicContact NZ-OE1 3.66Å; K472-E475 IonicContact NZ-OE2 3.83Å; K472-E475 PolarHBondContact NZ-OE2 3.36Å; K472-E475 PolarHBondContact O-N 3.5Å
476H91.3Very high88.7Confident26 Ų2628.8 Ų28.812%0.1214%0.137CC..  trans-12494.1-177.8-63.3-75.3000109.7F267 K472 A473 E478 L479F267-H476 HydrophobicContact CE2-CB 3.92Å; F267-H476 AromaticContact CE2-CG 3.84Å; F267-H476 AromaticContact CE2-ND1 3.93Å; K472-H476 PolarHBondContact O-N 2.83Å; A473-H476 CarbonylContact C-O 3.19Å; A473-H476 CarbonylContact O-C 3.43Å; H476-E478 WeakPolarHBondContact CA-OE2 3.22Å; H476-E478 WeakPolarHBondContact CB-OE2 3.42Å; H476-E478 PolarHBondContact O-N 3.44Å; H476-E478 VanDerWaalsContact O-N 3.13Å; H476-L479 HydrophobicContact CB-CD1 4Å; H476-L479 HydrophobicContact CB-CG 4.02Å; H476-L479 WeakPolarHBondContact O-CB 3.35Å; H476-L479 PolarHBondContact O-N 2.93Å
477A89.7Confident87.1Confident6 Ų632.7 Ų32.75%0.0515%0.154CC..THydrogen-bonded Turntrans-60.4-23.6-178.100000113F35 A39 I81 L479 I480F35-A477 HydrophobicContact CE1-CB 4.23Å; A39-A477 HydrophobicContact CB-CB 3.73Å; I81-A477 HydrophobicContact CD1-CB 4.18Å; I81-A477 HydrophobicContact CG1-CB 4.49Å; A477-L479 PolarHBondContact O-N 3.46Å; A477-I480 HydrophobicContact CB-CD1 4.09Å; A477-I480 WeakPolarHBondContact O-CB 3.37Å; A477-I480 WeakPolarHBondContact O-CG1 3.49Å; A477-I480 PolarHBondContact O-N 3.26Å; A477-I480 VanDerWaalsContact O-N 3.09Å
478E92.4Very high85.2Confident6 Ų630.5 Ų30.53%0.02814%0.144CC..Hα-helixtrans-57-27.7172.1-51.793.8141.200112.3S77 T80 Q84 F267 H476S77-E478 WeakPolarHBondContact CA-OE1 3.43Å; S77-E478 WeakPolarHBondContact CB-OE1 3.35Å; S77-E478 VanDerWaalsContact OG-CD 3.26Å; S77-E478 PolarHBondContact OG-OE1 3.45Å; T80-E478 HydrophobicContact CG2-CB 3.8Å; T80-E478 HydrophobicContact CG2-CG 4.01Å; Q84-E478 PolarHBondContact NE2-O 3.07Å; F267-E478 HydrophobicContact CB-CB 3.94Å; F267-E478 HydrophobicContact CD2-CB 4Å; F267-E478 HydrophobicContact CD2-CG 4.45Å; F267-E478 HydrophobicContact CG-CB 4.37Å; H476-E478 WeakPolarHBondContact CA-OE2 3.22Å; H476-E478 WeakPolarHBondContact CB-OE2 3.42Å; H476-E478 PolarHBondContact O-N 3.44Å; H476-E478 VanDerWaalsContact O-N 3.13Å
479L91.8Very high83.4Confident1 Ų129.5 Ų29.51%0.00514%0.138CC..Hα-helixtrans-82-14.8-180-63.4-178.4000113.2F267 I430 K472 A473 H476 A477 L482 L483F267-L479 HydrophobicContact CD1-CD2 3.7Å; F267-L479 HydrophobicContact CD2-CD2 4.13Å; F267-L479 HydrophobicContact CD2-CG 4.35Å; F267-L479 HydrophobicContact CE1-CD2 3.72Å; F267-L479 HydrophobicContact CE1-CG 4.49Å; F267-L479 HydrophobicContact CE2-CD1 4.33Å; F267-L479 HydrophobicContact CE2-CD2 4.12Å; F267-L479 HydrophobicContact CE2-CG 4.12Å; F267-L479 HydrophobicContact CG-CD2 3.93Å; F267-L479 HydrophobicContact CZ-CD1 4.1Å; F267-L479 HydrophobicContact CZ-CD2 3.92Å; F267-L479 HydrophobicContact CZ-CG 4.2Å; I430-L479 HydrophobicContact CD1-CD2 3.79Å; I430-L479 HydrophobicContact CG1-CD2 4.29Å; K472-L479 HydrophobicContact CB-CD1 4.5Å; A473-L479 HydrophobicContact CB-CB 4.11Å; H476-L479 HydrophobicContact CB-CD1 4Å; H476-L479 HydrophobicContact CB-CG 4.02Å; H476-L479 WeakPolarHBondContact O-CB 3.35Å; H476-L479 PolarHBondContact O-N 2.93Å; A477-L479 PolarHBondContact O-N 3.46Å; L479-L482 HydrophobicContact CD2-CD2 4.11Å; L479-L483 HydrophobicContact CB-CD1 3.95Å; L479-L483 HydrophobicContact CB-CG 4.23Å; L479-L483 HydrophobicContact CD1-CD1 4.49Å; L479-L483 VanDerWaalsContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 VanDerWaalsContact O-CG 3.25Å; L479-L483 WeakPolarHBondContact O-CG 3.43Å; L479-L483 PolarHBondContact O-N 2.89Å
480I87Confident81.2Confident3 Ų336.5 Ų36.52%0.01517%0.171CC..Hα-helixtrans-63.5-51.5-171.8-63.9172.9000110.5A473 A477 E484 L485 F489 L492A473-I480 HydrophobicContact CB-CG1 4.31Å; A473-I480 WeakPolarHBondContact O-CG1 3.3Å; A477-I480 HydrophobicContact CB-CD1 4.09Å; A477-I480 WeakPolarHBondContact O-CB 3.37Å; A477-I480 WeakPolarHBondContact O-CG1 3.49Å; A477-I480 PolarHBondContact O-N 3.26Å; A477-I480 VanDerWaalsContact O-N 3.09Å; I480-E484 PolarHBondContact O-N 3.23Å; I480-L485 PolarHBondContact O-N 2.98Å; I480-F489 HydrophobicContact CG1-CE2 4.28Å; I480-F489 HydrophobicContact CG2-CD2 4.04Å; I480-F489 HydrophobicContact CG2-CE2 4.41Å; I480-L492 HydrophobicContact CD1-CD1 3.72Å; I480-L492 HydrophobicContact CG2-CD1 3.75Å
481Q87.2Confident79.2Confident18 Ų1845.2 Ų45.28%0.08420%0.202CC..Hα-helixtrans-78.7-37.9177.4177.8156.624.300112.1Q84 D88 F275 L483 E484 H486Q84-Q481 VanDerWaalsContact CA-OE1 3.24Å; Q84-Q481 HydrophobicContact CG-CB 3.91Å; Q84-Q481 HydrophobicContact CG-CG 4.25Å; Q84-Q481 VanDerWaalsContact CG-OE1 3.26Å; Q84-Q481 PolarHBondContact O-OE1 3.1Å; D88-Q481 PolarHBondContact OD1-NE2 2.99Å; F275-Q481 HydrophobicContact CE1-CG 4.19Å; F275-Q481 HydrophobicContact CZ-CG 4.03Å; Q481-L483 PolarHBondContact O-N 2.92Å; Q481-L483 VanDerWaalsContact O-N 3.15Å; Q481-E484 PolarHBondContact O-N 3.11Å; Q481-E484 VanDerWaalsContact O-N 3.07Å; Q481-H486 VanDerWaalsContact CA-CE1 3.45Å; Q481-H486 WeakPolarHBondContact CA-CE1 3.42Å
482L90.9Very high77.1Confident1 Ų142.3 Ų42.31%0.00519%0.189CC..Hα-helixtrans-61.7-22.6177.9-178.957.9000113R270 Q271 A274 H417 F419 L479R270-L482 HydrophobicContact CB-CD1 4.12Å; R270-L482 HydrophobicContact CB-CD2 3.84Å; Q271-L482 VanDerWaalsContact OE1-CA 3.27Å; A274-L482 HydrophobicContact CB-CD1 4.3Å; H417-L482 PolarHBondContact CE1-O 3.3Å; H417-L482 VanDerWaalsContact CE1-O 3.23Å; H417-L482 PolarHBondContact ND1-O 3.39Å; F419-L482 HydrophobicContact CE2-CD1 4.12Å; F419-L482 HydrophobicContact CE2-CG 4.42Å; L479-L482 HydrophobicContact CD2-CD2 4.11Å
483L89.4Confident74.6Confident1 Ų141.2 Ų41.21%0.00519%0.189CC..THydrogen-bonded Turntrans-111.59.1177.9-55.3-177.8000113Y416 F419 I424 I430 L479 Q481 L485Y416-L483 HydrophobicContact CD1-CB 4.07Å; F419-L483 HydrophobicContact CD2-CD2 4.1Å; I424-L483 HydrophobicContact CD1-CD1 4.22Å; I424-L483 HydrophobicContact CD1-CD2 3.92Å; I424-L483 HydrophobicContact CG2-CD1 3.94Å; I430-L483 HydrophobicContact CD1-CD2 4.34Å; L479-L483 HydrophobicContact CB-CD1 3.95Å; L479-L483 HydrophobicContact CB-CG 4.23Å; L479-L483 HydrophobicContact CD1-CD1 4.49Å; L479-L483 VanDerWaalsContact O-CB 3.23Å; L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 VanDerWaalsContact O-CG 3.25Å; L479-L483 WeakPolarHBondContact O-CG 3.43Å; L479-L483 PolarHBondContact O-N 2.89Å; Q481-L483 PolarHBondContact O-N 2.92Å; Q481-L483 VanDerWaalsContact O-N 3.15Å; L483-L485 VanDerWaalsContact C-N 3.25Å; L483-L485 HydrophobicContact CB-CD1 3.91Å; L483-L485 HydrophobicContact CB-CG 3.9Å; L483-L485 HydrophobicContact CD1-CD1 4.15Å; L483-L485 PolarHBondContact O-N 3.06Å
484E83.8Confident72.1Confident58 Ų5845.7 Ų45.727%0.27122%0.218SC..THydrogen-bonded Turntrans52.736.4-175.4-48.5-165128.100114.6H417 I480 Q481 H486 R499H417-E484 WeakPolarHBondContact CE1-CG 3.49Å; H417-E484 IonicContact CE1-OE1 3.89Å; H417-E484 IonicContact NE2-OE1 2.8Å; H417-E484 PolarHBondContact NE2-OE1 3.39Å; I480-E484 PolarHBondContact O-N 3.23Å; Q481-E484 PolarHBondContact O-N 3.11Å; Q481-E484 VanDerWaalsContact O-N 3.07Å; E484-H486 PolarHBondContact O-N 3.36Å; E484-R499 IonicContact OE1-CZ 3.62Å; E484-R499 IonicContact OE1-NH1 3.14Å; E484-R499 PolarHBondContact OE1-NH1 2.91Å; E484-R499 IonicContact OE1-NH2 2.65Å
485L80.9Confident69.9Low1 Ų151.7 Ų51.71%0.00524%0.24CC..G310 helixtrans-80.45.8-175.3-71.2173.1000114Y416 A473 I480 L483 H487 H488 F489Y416-L485 HydrophobicContact CD1-CD2 4.45Å; Y416-L485 HydrophobicContact CE1-CD2 3.86Å; A473-L485 HydrophobicContact CB-CD1 3.36Å; I480-L485 PolarHBondContact O-N 2.98Å; L483-L485 VanDerWaalsContact C-N 3.25Å; L483-L485 HydrophobicContact CB-CD1 3.91Å; L483-L485 HydrophobicContact CB-CG 3.9Å; L483-L485 HydrophobicContact CD1-CD1 4.15Å; L483-L485 PolarHBondContact O-N 3.06Å; L485-H487 PolarHBondContact O-N 3.28Å; L485-H487 VanDerWaalsContact O-N 3.08Å; L485-H488 WeakPolarHBondContact O-CB 3.5Å; L485-H488 PolarHBondContact O-N 2.77Å; L485-F489 HydrophobicContact CB-CD2 4.18Å; L485-F489 HydrophobicContact CB-CE2 3.91Å; L485-F489 VanDerWaalsContact O-CD2 3.25Å; L485-F489 WeakPolarHBondContact O-CD2 3.19Å
486H68.4Low67.3Low45 Ų4553 Ų5321%0.20825%0.254CS..G310 helixtrans-51.5-35.7-178.8-54.9101.1000113.9Q481 E484 H488 F489 E490Q481-H486 VanDerWaalsContact CA-CE1 3.45Å; Q481-H486 WeakPolarHBondContact CA-CE1 3.42Å; E484-H486 PolarHBondContact O-N 3.36Å; H486-H488 PolarHBondContact O-N 3.4Å; H486-F489 CarbonylContact O-C 3.52Å; H486-F489 WeakPolarHBondContact O-CA 3.29Å; H486-F489 PolarHBondContact O-N 3.22Å; H486-E490 PolarHBondContact O-N 3.49Å
487H59.4Low64.8Low105 Ų10556.4 Ų56.449%0.48627%0.27SS..G310 helixtrans-65.2-24.9177.2-62.1-70.9000113.6L485L485-H487 PolarHBondContact O-N 3.28Å; L485-H487 VanDerWaalsContact O-N 3.08Å
488H52.9Low62Low72 Ų7259.5 Ų59.533%0.33330%0.296SS..G310 helixtrans-82.9-9.7174.3-60.484.6000112.1R445 L485 H486R445-H488 PolarHBondContact NH1-CE1 3.47Å; R445-H488 PolarHBondContact NH1-NE2 3.28Å; R445-H488 PolarHBondContact NH2-CE1 3.23Å; R445-H488 VanDerWaalsContact NH2-CE1 3.35Å; R445-H488 PolarHBondContact NH2-NE2 3.17Å; R445-H488 VanDerWaalsContact NH2-NE2 3.12Å; L485-H488 WeakPolarHBondContact O-CB 3.5Å; L485-H488 PolarHBondContact O-N 2.77Å; H486-H488 PolarHBondContact O-N 3.4Å
489F54.4Low59.4Low15 Ų1564 Ų647%0.06631%0.313CS..G310 helixtrans-134.854.3-178-54-74.1000109.6L42 T470 K474 I480 L485 H486 Y491 L492L42-F489 HydrophobicContact CD1-CD1 3.8Å; L42-F489 HydrophobicContact CD1-CE1 4.09Å; L42-F489 HydrophobicContact CD2-CD1 4.36Å; L42-F489 HydrophobicContact CD2-CE1 4.46Å; T470-F489 HydrophobicContact CG2-CZ 4.06Å; K474-F489 HydrophobicContact CD-CE1 4.39Å; K474-F489 HydrophobicContact CG-CE1 3.78Å; K474-F489 HydrophobicContact CG-CZ 3.81Å; I480-F489 HydrophobicContact CG1-CE2 4.28Å; I480-F489 HydrophobicContact CG2-CD2 4.04Å; I480-F489 HydrophobicContact CG2-CE2 4.41Å; L485-F489 HydrophobicContact CB-CD2 4.18Å; L485-F489 HydrophobicContact CB-CE2 3.91Å; L485-F489 VanDerWaalsContact O-CD2 3.25Å; L485-F489 WeakPolarHBondContact O-CD2 3.19Å; H486-F489 CarbonylContact O-C 3.52Å; H486-F489 WeakPolarHBondContact O-CA 3.29Å; H486-F489 PolarHBondContact O-N 3.22Å; F489-Y491 PolarHBondContact O-N 3.38Å; F489-L492 HydrophobicContact CB-CB 4.13Å; F489-L492 HydrophobicContact CB-CD1 3.22Å; F489-L492 HydrophobicContact CB-CG 3.56Å; F489-L492 HydrophobicContact CD1-CD1 4.23Å; F489-L492 HydrophobicContact CD2-CD1 3.87Å; F489-L492 HydrophobicContact CG-CD1 3.56Å; F489-L492 HydrophobicContact CG-CG 4.32Å; F489-L492 WeakPolarHBondContact O-CB 3.28Å; F489-L492 PolarHBondContact O-N 2.96Å
490E46Very low56.6Low147 Ų14771.1 Ų71.169%0.68735%0.35SS*.THydrogen-bonded Turntrans-50.5-19.7-178.7-72.3-179.6157.600113.6H486H486-E490 PolarHBondContact O-N 3.49Å
491Y48.3Very low54.3Low206 Ų20675.2 Ų75.281%0.80837%0.369SS*.THydrogen-bonded Turntrans-78.6-9.5173.6-60-79.8000115.5K38 F489K38-Y491 WeakPolarHBondContact CD-O 3.25Å; K38-Y491 VanDerWaalsContact CE-O 3.26Å; K38-Y491 WeakPolarHBondContact CE-O 3.37Å; K38-Y491 PolarHBondContact NZ-O 3.47Å; F489-Y491 PolarHBondContact O-N 3.38Å
492L45.4Very low51.7Low10 Ų1079.2 Ų79.25%0.05240%0.398CS..SBendtrans-81.9-39.5-173.1-77.3178.9000113.9K38 L42 I480 F489K38-L492 HydrophobicContact CB-CD2 3.39Å; K38-L492 HydrophobicContact CD-CD2 3.68Å; K38-L492 HydrophobicContact CG-CD2 4.17Å; K38-L492 PolarHBondContact NZ-O 3.3Å; L42-L492 HydrophobicContact CD1-CD1 3.99Å; L42-L492 HydrophobicContact CD1-CD2 3.82Å; L42-L492 HydrophobicContact CD1-CG 4.13Å; I480-L492 HydrophobicContact CD1-CD1 3.72Å; I480-L492 HydrophobicContact CG2-CD1 3.75Å; F489-L492 HydrophobicContact CB-CB 4.13Å; F489-L492 HydrophobicContact CB-CD1 3.22Å; F489-L492 HydrophobicContact CB-CG 3.56Å; F489-L492 HydrophobicContact CD1-CD1 4.23Å; F489-L492 HydrophobicContact CD2-CD1 3.87Å; F489-L492 HydrophobicContact CG-CD1 3.56Å; F489-L492 HydrophobicContact CG-CG 4.32Å; F489-L492 WeakPolarHBondContact O-CB 3.28Å; F489-L492 PolarHBondContact O-N 2.96Å
493A38.8Very low49.6Very low24 Ų2483.9 Ų83.920%0.19842%0.423CS..  trans-96.8122.9-177.600000111.8Y495A493-Y495 PolarHBondContact O-N 3.47Å
494P38.2Very low47.5Very low93 Ų9389 Ų8960%0.60445%0.448SS*.THydrogen-bonded Turntrans-68.5-14.2165.422.9-24.4000112.6
495Y40.6Very low45.9Very low202 Ų20294 Ų9479%0.79247%0.469SS*.THydrogen-bonded Turntrans-135.945.1-179.1-65.9-82.9000112A493 Q497A493-Y495 PolarHBondContact O-N 3.47Å; Y495-Q497 PolarHBondContact O-N 3.37Å
496S36.7Very low44.5Very low72 Ų7295 Ų9550%0.50348%0.476SS..  trans-66.286.7161.140.60000107.6A498S496-A498 VanDerWaalsContact C-N 3.34Å; S496-A498 PolarHBondContact O-N 3.43Å
497Q38.9Very low44.4Very low98 Ų9897.8 Ų97.846%0.45849%0.491SS..  trans-51.3113.9149.8-73.3179.31.300104.5E96 Y495 R499E96-Q497 PolarHBondContact OE1-NE2 2.88Å; E96-Q497 PolarHBondContact OE1-OE1 3.07Å; E96-Q497 PolarHBondContact OE2-NE2 3.28Å; Y495-Q497 PolarHBondContact O-N 3.37Å; Q497-R499 PolarHBondContact O-N 3.31Å
498A31.2Very low44.7Very low72 Ų7297 Ų9760%0.59549%0.493SS*.  trans-48.5100.5169.800000106.9S496 N500S496-A498 VanDerWaalsContact C-N 3.34Å; S496-A498 PolarHBondContact O-N 3.43Å; A498-N500 PolarHBondContact O-N 3.48Å
499R37.8Very low44.8Very low101 Ų10198.7 Ų98.738%0.38150%0.5SS..  trans-63.981.5155-81.9-174.2177.8-164.617103.8E484 Q497 E501E484-R499 IonicContact OE1-CZ 3.62Å; E484-R499 IonicContact OE1-NH1 3.14Å; E484-R499 PolarHBondContact OE1-NH1 2.91Å; E484-R499 IonicContact OE1-NH2 2.65Å; Q497-R499 PolarHBondContact O-N 3.31Å; R499-E501 HydrophobicContact CB-CG 4.29Å; R499-E501 WeakPolarHBondContact CD-OE1 3.37Å; R499-E501 IonicContact CZ-OE1 2.88Å; R499-E501 IonicContact NE-OE1 2.85Å; R499-E501 IonicContact NH1-OE1 2.91Å; R499-E501 PolarHBondContact NH1-OE1 3.27Å; R499-E501 VanDerWaalsContact NH1-OE1 3.08Å; R499-E501 PolarHBondContact O-N 2.97Å
500N31.7Very low44.5Very low149 Ų149103.1 Ų103.180%0.79753%0.531SS*.  trans-69.765.9154.2-83.6-24.5000105.7A498 C502A498-N500 PolarHBondContact O-N 3.48Å; N500-C502 VanDerWaalsContact C-N 3.27Å; N500-C502 PolarHBondContact O-N 3.32Å
501E39.5Very low44.4Very low89 Ų89104.3 Ų104.342%0.41654%0.543SS..  trans-66.3103.1157.5-76.5176.8-160.500104.1L413 R499 L503L413-E501 HydrophobicContact CD1-CB 4.22Å; R499-E501 HydrophobicContact CB-CG 4.29Å; R499-E501 WeakPolarHBondContact CD-OE1 3.37Å; R499-E501 IonicContact CZ-OE1 2.88Å; R499-E501 IonicContact NE-OE1 2.85Å; R499-E501 IonicContact NH1-OE1 2.91Å; R499-E501 PolarHBondContact NH1-OE1 3.27Å; R499-E501 VanDerWaalsContact NH1-OE1 3.08Å; R499-E501 PolarHBondContact O-N 2.97Å; E501-L503 PolarHBondContact O-N 3.48Å
502C32.2Very low44.2Very low102 Ų10299.8 Ų99.869%0.68954%0.541SS*.  trans-52.2110.9171.4-169.30000106.2N500 M504N500-C502 VanDerWaalsContact C-N 3.27Å; N500-C502 PolarHBondContact O-N 3.32Å; C502-M504 VanDerWaalsContact C-N 3.35Å; C502-M504 PolarHBondContact O-N 2.97Å
503L46.7Very low44.5Very low100 Ų100104.9 Ų104.952%0.52458%0.577SS.*  trans-52.8102.9175.7-74.4164.8000107.5E501 K505E501-L503 PolarHBondContact O-N 3.48Å; L503-K505 PolarHBondContact O-N 3.37Å
504M44.6Very low45.2Very low109 Ų109109 Ų10954%0.53760%0.6SS.*  trans-65.6108.8178.2-87.1-69.5176.900107.1C502C502-M504 VanDerWaalsContact C-N 3.35Å; C502-M504 PolarHBondContact O-N 2.97Å
505K51.9Low46.3Very low162 Ų162113 Ų11370%0.70461%0.611SS**  trans-70.2137.6-179.7-67.3-174.4177.9-176.10108.9N408 L503 I507N408-K505 PolarHBondContact ND2-O 3.01Å; N408-K505 VanDerWaalsContact ND2-O 3.12Å; L503-K505 PolarHBondContact O-N 3.37Å; K505-I507 PolarHBondContact O-N 2.84Å
506P50.3Low47Very low23 Ų23109.6 Ų109.615%0.14961%0.611CS.*  trans-63132.1175.225.7-32.9000109.8L401 T406 L412 K441L401-P506 HydrophobicContact CD1-CB 3.93Å; L401-P506 HydrophobicContact CD1-CG 4.2Å; L401-P506 HydrophobicContact CD2-CB 4.21Å; L401-P506 HydrophobicContact CD2-CG 4.48Å; T406-P506 HydrophobicContact CG2-CB 4.04Å; L412-P506 HydrophobicContact CD2-CB 3.98Å; K441-P506 HydrophobicContact CD-CG 3.75Å
507I66.8Low48.1Very low103 Ų103111.5 Ų111.553%0.52862%0.616SS.*  trans-94.4101.3175.4-58.5173.3000107A407 N408 K505 K509A407-I507 HydrophobicContact CB-CB 4.14Å; A407-I507 HydrophobicContact CB-CG2 4.02Å; A407-I507 PolarHBondContact N-O 2.71Å; N408-I507 HydrophobicContact CB-CD1 4.49Å; N408-I507 PolarHBondContact OD1-N 2.87Å; K505-I507 PolarHBondContact O-N 2.84Å; I507-K509 PolarHBondContact O-N 2.74Å
508T64.8Low49.2Very low87 Ų87113 Ų11353%0.53463%0.632SS.*BIsolated β-bridgetrans-69.2127.3178.8-44.90000110.4
509K55.4Low50.9Low109 Ų109116.9 Ų116.947%0.47464%0.637SS.*  trans-77.9124.6166.5-70.4170.9171.7145.50107.9E404 T405 T406 A407 I507E404-K509 WeakPolarHBondContact O-CD 3.49Å; T405-K509 PolarHBondContact O-N 3.16Å; T406-K509 PolarHBondContact O-NZ 3.15Å; A407-K509 HydrophobicContact CB-CD 4.46Å; A407-K509 HydrophobicContact CB-CG 3.99Å; I507-K509 PolarHBondContact O-N 2.74Å
510C47.7Very low52.1Low108 Ų108119.2 Ų119.273%0.7366%0.656SS**  trans-118.8122.1173.3-64.40000109.2S512C510-S512 PolarHBondContact O-N 3.48Å
511D44.2Very low53.7Low172 Ų172118.7 Ų118.792%0.9265%0.652SS**  trans-72.2118.7169.3-75.3-24.6000109.1
512S44.3Very low55.1Low110 Ų110119.3 Ų119.377%0.76966%0.664SS**  trans-102.596.2171.9175.30000108.4C510C510-S512 PolarHBondContact O-N 3.48Å
513S51.5Low56.5Low117 Ų117119.3 Ų119.382%0.81866%0.663SS**  trans-87.3124.7167.558.20000109.1
514T55Low57.6Low111 Ų111120.7 Ų120.768%0.68168%0.676SS**  trans-101.4115.3167.6-44.20000106.4T516T514-T516 PolarHBondContact O-N 3.32Å
515Q60.9Low58.7Low176 Ų176121.5 Ų121.582%0.82268%0.68SS**  trans-61.9126.8166.4-175.4172.28.400106.5D517Q515-D517 PolarHBondContact O-N 3.02Å
516T55.2Low59.6Low132 Ų132117.6 Ų117.681%0.8167%0.67SS**  trans-51.5111.8179.8-28.10000108.8T514 T518T514-T516 PolarHBondContact O-N 3.32Å; T516-T518 PolarHBondContact O-N 3.1Å
517D59.4Low60.5Low112 Ų112122.5 Ų122.560%0.59970%0.7SS**  trans-60.5111.8-177.6-71.4-39.6000108.8Q515 H519Q515-D517 PolarHBondContact O-N 3.02Å; D517-H519 PolarHBondContact O-N 3.32Å
518T61.3Low60.6Low128 Ų128122 Ų12279%0.78571%0.706SS**SBendtrans-66.9-14.8176.440.80000112.2T516T516-T518 PolarHBondContact O-N 3.1Å
519H68.4Low61.3Low155 Ų155126 Ų12672%0.71871%0.712SS**SBendtrans-136.687.9176.7-57.7-61.7000110D517 L521D517-H519 PolarHBondContact O-N 3.32Å; H519-L521 VanDerWaalsContact C-N 3.33Å; H519-L521 PolarHBondContact O-N 3.07Å
520I63.2Low62.5Low150 Ų150123.7 Ų123.777%0.76970%0.703SS**  trans-65.696.6169.2-55.5172000107.3
521L65.3Low63.9Low138 Ų138128.8 Ų128.872%0.72371%0.707SS**PPolyproline II helixtrans-67.4139.4166.9-68.3172.1000107.9H519H519-L521 VanDerWaalsContact C-N 3.33Å; H519-L521 PolarHBondContact O-N 3.07Å
522P67.8Low65.8Low101 Ų101123 Ų12366%0.65668%0.676SS**PPolyproline II helixtrans-54.4136.9172.821.6-30.1000108.7T524P522-T524 PolarHBondContact O-N 3.18Å
523P61.5Low67.5Low103 Ų103123.3 Ų123.367%0.66967%0.666SS**PPolyproline II helixtrans-57122.6-173.124.9-34.6000108.3I525P523-I525 HydrophobicContact CB-CD1 4.32Å; P523-I525 HydrophobicContact CB-CG1 3.94Å; P523-I525 HydrophobicContact CG-CD1 4.29Å; P523-I525 HydrophobicContact CG-CG1 4.34Å; P523-I525 PolarHBondContact O-N 2.74Å
524T69.3Low68.9Low129 Ų129125.8 Ų125.879%0.79166%0.657SS**  trans-76.367.1175.2-46.80000107.6P522 V526P522-T524 PolarHBondContact O-N 3.18Å; T524-V526 VanDerWaalsContact C-N 3.33Å; T524-V526 HydrophobicContact CG2-CG2 4.42Å; T524-V526 PolarHBondContact O-N 2.92Å
525I68.4Low70.3Confident125 Ų125123 Ų12364%0.64164%0.636SS**  trans-72.598.7172.6-57178.8000105.4P523 T527P523-I525 HydrophobicContact CB-CD1 4.32Å; P523-I525 HydrophobicContact CB-CG1 3.94Å; P523-I525 HydrophobicContact CG-CD1 4.29Å; P523-I525 HydrophobicContact CG-CG1 4.34Å; P523-I525 PolarHBondContact O-N 2.74Å; I525-T527 HydrophobicContact CG2-CG2 4.11Å; I525-T527 PolarHBondContact O-N 3.39Å
526V70.6Confident71.6Confident80 Ų80118.7 Ų118.749%0.48562%0.618SS.*  trans-69.191.6166.4-177.30000105.8T524 S528 Y529T524-V526 VanDerWaalsContact C-N 3.33Å; T524-V526 HydrophobicContact CG2-CG2 4.42Å; T524-V526 PolarHBondContact O-N 2.92Å; V526-S528 WeakPolarHBondContact CG1-OG 3.45Å; V526-S528 PolarHBondContact O-N 3.36Å; V526-Y529 VanDerWaalsContact O-CB 3.29Å; V526-Y529 WeakPolarHBondContact O-CB 3.48Å; V526-Y529 PolarHBondContact O-N 2.82Å
527T70.4Confident73Confident127 Ų127118.1 Ų118.178%0.77960%0.602SS**THydrogen-bonded Turntrans-61-13.3179.852.90000112.9I525I525-T527 HydrophobicContact CG2-CG2 4.11Å; I525-T527 PolarHBondContact O-N 3.39Å
528S68.4Low74.4Confident93 Ų93119.9 Ų119.965%0.6560%0.6SS**THydrogen-bonded Turntrans-88.1-9172.656.50000114.4V526V526-S528 WeakPolarHBondContact CG1-OG 3.45Å; V526-S528 PolarHBondContact O-N 3.36Å
529Y79.3Confident75.6Confident171 Ų171117.5 Ų117.567%0.67158%0.578SS**  trans-78128.8179.5-178.9-99.5000110.7V526 W531V526-Y529 VanDerWaalsContact O-CB 3.29Å; V526-Y529 WeakPolarHBondContact O-CB 3.48Å; V526-Y529 PolarHBondContact O-N 2.82Å; Y529-W531 HydrophobicContact CE1-CB 4.16Å
530E79.8Confident76.4Confident60 Ų60112.8 Ų112.828%0.2857%0.567SS.*  trans-127.8124.8174.5-67.9-70.5178.500108.4L536 K539E530-L536 HydrophobicContact CB-CD2 3.92Å; E530-L536 HydrophobicContact CB-CG 4.16Å; E530-K539 VanDerWaalsContact CD-NZ 3.26Å; E530-K539 HydrophobicContact CG-CD 4.35Å; E530-K539 IonicContact OE1-NZ 3.49Å; E530-K539 PolarHBondContact OE1-NZ 3.36Å
531W77Confident77.6Confident214 Ų214110.7 Ų110.781%0.81156%0.556SS**  trans-82.2-19.1179.571.4-88.2000112.8Y529Y529-W531 HydrophobicContact CE1-CB 4.16Å
532N84.9Confident78.6Confident52 Ų52111 Ų11128%0.27855%0.551SS.*  trans-87114.2-176.7-176.7-22.2000111W534 E535 L536N532-W534 PolarHBondContact O-N 3.48Å; N532-W534 WeakPolarHBondContact OD1-CB 3.32Å; N532-W534 PolarHBondContact OD1-N 2.87Å; N532-E535 HydrophobicContact CB-CB 4.25Å; N532-E535 PolarHBondContact O-N 3.35Å; N532-E535 VanDerWaalsContact O-N 3.08Å; N532-L536 PolarHBondContact O-N 3.32Å; N532-L536 VanDerWaalsContact O-N 3.16Å
533E80.2Confident79.4Confident116 Ų116111.8 Ų111.854%0.54255%0.549SS..Hα-helixtrans-57.9-33.4-179.3-159.1-168.3150.600113L536 R537E533-L536 PolarHBondContact O-N 3.4Å; E533-R537 WeakPolarHBondContact O-CG 3.41Å; E533-R537 PolarHBondContact O-N 2.99Å; E533-R537 IonicContact OE1-CZ 3.52Å; E533-R537 IonicContact OE1-NE 3.65Å; E533-R537 PolarHBondContact OE1-NE 3.26Å; E533-R537 IonicContact OE1-NH2 3.65Å; E533-R537 PolarHBondContact OE1-NH2 2.99Å
534W80.4Confident80.6Confident168 Ų168109.2 Ų109.264%0.63654%0.537SS*.Hα-helixtrans-72.2-32.7178.3-67.9105.6000112.9N532 R537 R538N532-W534 PolarHBondContact O-N 3.48Å; N532-W534 WeakPolarHBondContact OD1-CB 3.32Å; N532-W534 PolarHBondContact OD1-N 2.87Å; W534-R537 PolarHBondContact O-N 2.86Å; W534-R538 PolarHBondContact O-N 3.25Å
535E85.6Confident81.3Confident53 Ų53106.9 Ų106.925%0.24852%0.519CS..Hα-helixtrans-68.5-42172.3-99.4-53.8138.900111.5N532 R537 R538 K539N532-E535 HydrophobicContact CB-CB 4.25Å; N532-E535 PolarHBondContact O-N 3.35Å; N532-E535 VanDerWaalsContact O-N 3.08Å; E535-R537 VanDerWaalsContact C-N 3.29Å; E535-R537 PolarHBondContact O-N 3.23Å; E535-R538 PolarHBondContact O-N 2.97Å; E535-R538 VanDerWaalsContact O-N 3.14Å; E535-R538 IonicContact OE1-CZ 3.02Å; E535-R538 IonicContact OE1-NE 3.48Å; E535-R538 PolarHBondContact OE1-NE 3.49Å; E535-R538 IonicContact OE1-NH2 2.76Å; E535-R538 PolarHBondContact OE1-NH2 2.89Å; E535-K539 WeakPolarHBondContact O-CG 3.23Å; E535-K539 PolarHBondContact O-N 2.76Å
536L86.4Confident81.9Confident85 Ų85106 Ų10645%0.44552%0.515SS..Hα-helixtrans-57.6-43.4174.3-70172.7000111.5E530 N532 E533 K539 A540E530-L536 HydrophobicContact CB-CD2 3.92Å; E530-L536 HydrophobicContact CB-CG 4.16Å; N532-L536 PolarHBondContact O-N 3.32Å; N532-L536 VanDerWaalsContact O-N 3.16Å; E533-L536 PolarHBondContact O-N 3.4Å; L536-K539 PolarHBondContact O-N 3.48Å; L536-A540 WeakPolarHBondContact O-CB 3.47Å; L536-A540 PolarHBondContact O-N 3.06Å
537R85.3Confident82Confident121 Ų121112.8 Ų112.846%0.45753%0.532SS..Hα-helixtrans-62.6-44.1174.6-71.6178-174.1-1661.9112.2E533 W534 E535 A540 I541E533-R537 WeakPolarHBondContact O-CG 3.41Å; E533-R537 PolarHBondContact O-N 2.99Å; E533-R537 IonicContact OE1-CZ 3.52Å; E533-R537 IonicContact OE1-NE 3.65Å; E533-R537 PolarHBondContact OE1-NE 3.26Å; E533-R537 IonicContact OE1-NH2 3.65Å; E533-R537 PolarHBondContact OE1-NH2 2.99Å; W534-R537 PolarHBondContact O-N 2.86Å; E535-R537 VanDerWaalsContact C-N 3.29Å; E535-R537 PolarHBondContact O-N 3.23Å; R537-A540 PolarHBondContact O-N 3.34Å; R537-I541 VanDerWaalsContact O-CG1 3.3Å; R537-I541 WeakPolarHBondContact O-CG1 3.12Å; R537-I541 PolarHBondContact O-N 3.39Å
538R88.1Confident82Confident148 Ų148116.8 Ų116.856%0.55853%0.533SS*.Hα-helixtrans-60.8-44.8175.7-80.2-165.2-75.1-119.41112.2W534 E535 I541 K542W534-R538 PolarHBondContact O-N 3.25Å; E535-R538 PolarHBondContact O-N 2.97Å; E535-R538 VanDerWaalsContact O-N 3.14Å; E535-R538 IonicContact OE1-CZ 3.02Å; E535-R538 IonicContact OE1-NE 3.48Å; E535-R538 PolarHBondContact OE1-NE 3.49Å; E535-R538 IonicContact OE1-NH2 2.76Å; E535-R538 PolarHBondContact OE1-NH2 2.89Å; R538-I541 PolarHBondContact O-N 3.17Å; R538-K542 WeakPolarHBondContact O-CB 3.49Å; R538-K542 PolarHBondContact O-N 3.04Å
539K86.6Confident82.2Confident78 Ų78119.9 Ų119.934%0.33954%0.535SS..Hα-helixtrans-63-42177-70.6-176.1-175.6-1710111.9E530 E535 L536 K542 L543E530-K539 VanDerWaalsContact CD-NZ 3.26Å; E530-K539 HydrophobicContact CG-CD 4.35Å; E530-K539 IonicContact OE1-NZ 3.49Å; E530-K539 PolarHBondContact OE1-NZ 3.36Å; E535-K539 WeakPolarHBondContact O-CG 3.23Å; E535-K539 PolarHBondContact O-N 2.76Å; L536-K539 PolarHBondContact O-N 3.48Å; K539-K542 WeakPolarHBondContact O-CB 3.48Å; K539-K542 PolarHBondContact O-N 3.08Å; K539-L543 PolarHBondContact O-N 2.62Å
540A86.9Confident81.1Confident57 Ų57119 Ų11947%0.47154%0.541SS..Hα-helixtrans-62.2-43.8176.100000112.3L536 R537 K542 L543 A544L536-A540 WeakPolarHBondContact O-CB 3.47Å; L536-A540 PolarHBondContact O-N 3.06Å; R537-A540 PolarHBondContact O-N 3.34Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 2.92Å; A540-L543 PolarHBondContact O-N 2.87Å; A540-A544 WeakPolarHBondContact O-CB 3.33Å; A540-A544 PolarHBondContact O-N 2.92Å
541I88Confident80.2Confident105 Ų105122 Ų12254%0.53856%0.563SS.*Hα-helixtrans-63.1-41.6175.6-67.5165.3000110.8R537 R538 L543 A544 N545R537-I541 VanDerWaalsContact O-CG1 3.3Å; R537-I541 WeakPolarHBondContact O-CG1 3.12Å; R537-I541 PolarHBondContact O-N 3.39Å; R538-I541 PolarHBondContact O-N 3.17Å; I541-L543 PolarHBondContact O-N 3.02Å; I541-A544 PolarHBondContact O-N 3.34Å; I541-N545 WeakPolarHBondContact O-CB 3.42Å; I541-N545 PolarHBondContact O-N 3.14Å; I541-N545 PolarHBondContact O-ND2 3.36Å
542K86.8Confident79.2Confident146 Ų146121.2 Ų121.264%0.63557%0.568SS**Hα-helixtrans-61.2-43.2176.7-167.7177.5-178.4179.70111.8R538 K539 A540 N545 L546R538-K542 WeakPolarHBondContact O-CB 3.49Å; R538-K542 PolarHBondContact O-N 3.04Å; K539-K542 WeakPolarHBondContact O-CB 3.48Å; K539-K542 PolarHBondContact O-N 3.08Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 2.92Å; K542-N545 PolarHBondContact O-N 3.05Å; K542-L546 WeakPolarHBondContact O-CG 3.38Å; K542-L546 PolarHBondContact O-N 2.96Å
543L84.6Confident78Confident116 Ų116122.6 Ų122.661%0.60759%0.587SS**Hα-helixtrans-65.2-41.7175-83.2161.3000112.6K539 A540 I541 N545 L546 R547K539-L543 PolarHBondContact O-N 2.62Å; A540-L543 PolarHBondContact O-N 2.87Å; I541-L543 PolarHBondContact O-N 3.02Å; L543-N545 VanDerWaalsContact C-N 3.32Å; L543-N545 PolarHBondContact O-N 3.36Å; L543-L546 PolarHBondContact O-N 2.98Å; L543-R547 PolarHBondContact O-N 3.47Å
544A86.1Confident76.8Confident49 Ų49125.4 Ų125.441%0.40560%0.602SS.*Hα-helixtrans-62.8-40.1174.900000111.7A540 I541 R547 R548A540-A544 WeakPolarHBondContact O-CB 3.33Å; A540-A544 PolarHBondContact O-N 2.92Å; I541-A544 PolarHBondContact O-N 3.34Å; A544-R547 WeakPolarHBondContact O-CB 3.46Å; A544-R547 PolarHBondContact O-N 2.93Å; A544-R548 PolarHBondContact O-N 3.35Å
545N83.8Confident75.6Confident80 Ų80125 Ų12543%0.42861%0.607SS.*Hα-helixtrans-65.6-41.4174.3-76.8-24000112.1I541 K542 L543 R547 R548 K549I541-N545 WeakPolarHBondContact O-CB 3.42Å; I541-N545 PolarHBondContact O-N 3.14Å; I541-N545 PolarHBondContact O-ND2 3.36Å; K542-N545 PolarHBondContact O-N 3.05Å; L543-N545 VanDerWaalsContact C-N 3.32Å; L543-N545 PolarHBondContact O-N 3.36Å; N545-R547 VanDerWaalsContact C-N 3.34Å; N545-R547 PolarHBondContact O-N 3.35Å; N545-R548 PolarHBondContact O-N 3.44Å; N545-R548 VanDerWaalsContact O-N 3.17Å; N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 3.49Å; N545-K549 VanDerWaalsContact O-N 3.08Å
546L80.7Confident74.2Confident106 Ų106125.9 Ų125.956%0.55562%0.616SS**Hα-helixtrans-60.9-42174.3-79.2163.4000111.8K542 L543 R548 K549K542-L546 WeakPolarHBondContact O-CG 3.38Å; K542-L546 PolarHBondContact O-N 2.96Å; L543-L546 PolarHBondContact O-N 2.98Å; L546-R548 PolarHBondContact O-N 2.93Å; L546-K549 PolarHBondContact O-N 3.23Å
547R73.4Confident72.6Confident223 Ų223129.2 Ų129.284%0.84264%0.635SS**Hα-helixtrans-58.8-33.3174.1-91.9-177.8141.4177.1-4.6113.5L543 A544 N545L543-R547 PolarHBondContact O-N 3.47Å; A544-R547 WeakPolarHBondContact O-CB 3.46Å; A544-R547 PolarHBondContact O-N 2.93Å; N545-R547 VanDerWaalsContact C-N 3.34Å; N545-R547 PolarHBondContact O-N 3.35Å
548R70.1Confident71Confident212 Ų212131.2 Ų131.280%0.865%0.653SS**Hα-helixtrans-83.1-14.7177.1-70.9-179.2175176.8-1.5113.3A544 N545 L546 L550A544-R548 PolarHBondContact O-N 3.35Å; N545-R548 PolarHBondContact O-N 3.44Å; N545-R548 VanDerWaalsContact O-N 3.17Å; L546-R548 PolarHBondContact O-N 2.93Å; R548-L550 VanDerWaalsContact C-N 3.34Å; R548-L550 PolarHBondContact O-N 3.37Å
549K72.5Confident69.5Low158 Ų158126.2 Ų126.269%0.68764%0.641SS**  trans-90.771.9174.8-69.6-173.2-177.8-163.40109.6N545 L546 T551N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 3.49Å; N545-K549 VanDerWaalsContact O-N 3.08Å; L546-K549 PolarHBondContact O-N 3.23Å; K549-T551 PolarHBondContact O-N 2.89Å
550L55.7Low67.8Low153 Ų153129.1 Ų129.180%0.80166%0.656SS**  trans-64.7107.7165.4-99.9145.1000108.6R548 H552R548-L550 VanDerWaalsContact C-N 3.34Å; R548-L550 PolarHBondContact O-N 3.37Å; L550-H552 PolarHBondContact O-N 3.46Å
551T62.1Low66Low121 Ų121134.3 Ų134.374%0.74267%0.672SS**  trans-74.1116.8168.246.30000108.6K549 A553K549-T551 PolarHBondContact O-N 2.89Å; T551-A553 PolarHBondContact O-N 3.33Å
552H55.6Low64.3Low199 Ų199140.2 Ų140.292%0.92169%0.687SS**SBendtrans-76.15.6-177.2-130.4-73.1000114.4L550L550-H552 PolarHBondContact O-N 3.46Å
553A59.6Low62.7Low80 Ų80144.1 Ų144.166%0.66170%0.698SS**  trans-126.8112.6-177.500000110.5T551T551-A553 PolarHBondContact O-N 3.33Å
554M54Low61Low176 Ų176147.3 Ų147.387%0.86771%0.71SS**  trans-88.3104.2164.7-98.1-173.973.300108.5T556M554-T556 HydrophobicContact CE-CG2 3.85Å
555Q55.3Low59.3Low160 Ų160151.7 Ų151.775%0.74873%0.727SS**  trans-87109.7162.3-155.2171.56.300106.9S559Q555-S559 WeakPolarHBondContact CG-OG 3.48Å
556T57.3Low57.7Low70 Ų70152.3 Ų152.343%0.42974%0.737SS.*  trans-84.2158.4177.6560000110.4M554 L558 S559M554-T556 HydrophobicContact CE-CG2 3.85Å; T556-L558 PolarHBondContact O-N 2.91Å; T556-S559 PolarHBondContact N-OG 2.78Å; T556-S559 PolarHBondContact O-N 2.92Å; T556-S559 PolarHBondContact O-OG 3.06Å
557N51.6Low56.2Low156 Ų156154.1 Ų154.183%0.83475%0.753SS**G310 helixtrans-52.3-24.9178.3-105.8-17.9000114.1S559N557-S559 VanDerWaalsContact C-N 3.31Å; N557-S559 PolarHBondContact O-N 3.18Å
558L52.5Low55.3Low163 Ų163150.5 Ų150.585%0.85375%0.746SS**G310 helixtrans-74.5-17.2176.5-72.6166.8000114.1T556T556-L558 PolarHBondContact O-N 2.91Å
559S57.2Low54.4Low43 Ų43146.8 Ų146.830%0.30175%0.746SS.*G310 helixtrans-95.3-1.1179.764.10000113.7Q555 T556 N557 M561Q555-S559 WeakPolarHBondContact CG-OG 3.48Å; T556-S559 PolarHBondContact N-OG 2.78Å; T556-S559 PolarHBondContact O-N 2.92Å; T556-S559 PolarHBondContact O-OG 3.06Å; N557-S559 VanDerWaalsContact C-N 3.31Å; N557-S559 PolarHBondContact O-N 3.18Å; S559-M561 VanDerWaalsContact C-N 3.26Å; S559-M561 PolarHBondContact O-N 2.9Å
560H50.7Low53.7Low139 Ų139149 Ų14964%0.64475%0.752SS**THydrogen-bonded Turntrans-73.9-9.8-179.2-164.1-63.6000113.5
561M49.2Very low53.9Low165 Ų165148.6 Ų148.681%0.81375%0.75SS**THydrogen-bonded Turntrans-126.616.7-173.1-70.6-70.1-177.800115.1S559 R563S559-M561 VanDerWaalsContact C-N 3.26Å; S559-M561 PolarHBondContact O-N 2.9Å; M561-R563 PolarHBondContact O-N 2.89Å
562R51.7Low53.8Low229 Ų229148.9 Ų148.986%0.86475%0.753SS**  trans-85.9103.5168.4-76.4-167.6177.4-176.30.1110E564R562-E564 PolarHBondContact O-N 3.21Å
563R53.9Low53.8Low228 Ų228149 Ų14986%0.8675%0.751SS**  trans-86.597.5175.9-159.8-179.6-166.7-1764.5108.6M561M561-R563 PolarHBondContact O-N 2.89Å
564E48.1Very low53.6Low183 Ų183153.1 Ų153.186%0.85576%0.762SS**  trans-85.1111.4161.5-81.2-171.8173.900108.2R562R562-E564 PolarHBondContact O-N 3.21Å
565N49.5Very low53.6Low142 Ų142151.2 Ų151.276%0.75976%0.76SS**  trans-95.7100.6176.1-144.422.1000107.4
566S50.1Low53.7Low92 Ų92147.3 Ų147.364%0.64376%0.763SS**  trans-127.1111.916347.70000108.3Q568S566-Q568 PolarHBondContact O-N 3Å
567T49.7Very low53.4Low144 Ų144150.5 Ų150.588%0.88378%0.782SS**  trans-70.6106.5176.610.30000108.8
568Q55.9Low53.3Low148 Ų148152.3 Ų152.369%0.69279%0.786SS**  trans-110.3122.9167.4-82-176.9-5.700110.1S566S566-Q568 PolarHBondContact O-N 3Å
569V50.9Low53.2Low134 Ų134150.9 Ų150.981%0.81278%0.784SS**  trans-73.2128.1172.8169.60000108.8
570Y56.1Low52.7Low205 Ų205157.8 Ų157.880%0.80481%0.808SS**  trans-100.5110.1170.9-79.8-91000109.7
571L60.8Low52.6Low144 Ų144162.7 Ų162.775%0.75482%0.821SS**PPolyproline II helixtrans-73.3151162-70.7166.8000109.5K573L571-K573 PolarHBondContact O-N 3.28Å
572P59.5Low52.7Low127 Ų127161.6 Ų161.683%0.82582%0.819SS**PPolyproline II helixtrans-56.2133177-21.131.7000111.5
573K56Low52.7Low200 Ų200158.4 Ų158.487%0.8782%0.819SS**PPolyproline II helixtrans-84.7131.5176.4-106.5-179175.8178.60110.5L571L571-K573 PolarHBondContact O-N 3.28Å
574D55.1Low53.1Low167 Ų167152.5 Ų152.589%0.89381%0.813SS**PPolyproline II helixtrans-63.2134172-75.7-39.5000112
575V53.8Low53.5Low137 Ų137149.1 Ų149.183%0.8381%0.809SS**  trans-90.3105.5177.5178.40000109
576G58.2Low54Low77 Ų77149.2 Ų149.279%0.79481%0.809SS**  trans-99.9124.7167.600000111.1
577T51.9Low54.7Low138 Ų138150.4 Ų150.485%0.84781%0.813SS**  trans-89.2127.8175.9-31.90000109.9
578Q47.7Very low55.4Low194 Ų194146.5 Ų146.591%0.90779%0.79SS**  trans-106.2121.1173.7-151.3-177.458.100109.4
579T50.7Low55.9Low132 Ų132150 Ų15081%0.8180%0.796SS**  trans-77141174.339.80000110.8
580K47.5Very low56.9Low188 Ų188148.4 Ų148.482%0.81779%0.789SS**  trans-72.9130.8-178.4-143.3-175-177.5-160.30110.1
581R48.9Very low57.8Low243 Ų243144.9 Ų144.992%0.91778%0.78SS**  trans-108.1118.2163.2-119.4-176.5-176.8172.71.1107.2
582D51.7Low58.6Low141 Ų141142 Ų14275%0.75477%0.765SS**  trans-79.4125.7171.2-73.8-28000108.8
583N51.3Low59.4Low162 Ų162141.2 Ų141.287%0.86675%0.748SS**  trans-119.2125.3175.8-15314.4000107.4
584S61.3Low60.6Low105 Ų105135.4 Ų135.473%0.73473%0.726SS**  trans-115.3131.8178.761.60000110.4
585S57.2Low61.3Low111 Ų111133.4 Ų133.478%0.77671%0.712SS**  trans-95.9117.1170.2-600000109.8V587S585-V587 PolarHBondContact O-N 3.01Å
586N60.7Low62Low144 Ų144128.5 Ų128.577%0.7769%0.689SS**  trans-76.8108.8167.6-96.8-14.5000108.7
587V64.8Low62.5Low118 Ų118130.5 Ų130.572%0.71568%0.68SS**PPolyproline II helixtrans-93.1138.8168.7-74.90000109.5S585 R589S585-V587 PolarHBondContact O-N 3.01Å; V587-R589 PolarHBondContact O-N 2.7Å
588P63.8Low63Low61 Ų61135.5 Ų135.540%0.39668%0.684SS.*PPolyproline II helixtrans-66135-17924.7-27.1000109.7P590 T613 R614 V616P588-P590 WeakPolarHBondContact O-CD 3.34Å; P588-T613 HydrophobicContact CB-CG2 4.21Å; P588-R614 VanDerWaalsContact CB-O 3.3Å; P588-R614 WeakPolarHBondContact CB-O 3.02Å; P588-V616 HydrophobicContact CB-CG2 3.88Å; P588-V616 VanDerWaalsContact CD-CG2 3.45Å; P588-V616 HydrophobicContact CG-CG2 3.74Å
589R66.8Low63.7Low221 Ų221129.5 Ų129.583%0.83467%0.674SS**PPolyproline II helixtrans-77.2123.4-178.2-73.8-174.7179.9-176.71109.7V587 Q591V587-R589 PolarHBondContact O-N 2.7Å; R589-Q591 PolarHBondContact O-N 3.29Å
590P71.1Confident64.3Low101 Ų101126 Ų12666%0.65666%0.664SS**PPolyproline II helixtrans-64.8124.9179.3-14.125.2000110.8P588 T613P588-P590 WeakPolarHBondContact O-CD 3.34Å; P590-T613 VanDerWaalsContact CA-OG1 3.22Å; P590-T613 WeakPolarHBondContact CA-OG1 2.99Å
591Q74.3Confident64.8Low132 Ų132123.8 Ų123.862%0.61767%0.672SS**  trans-116.7110.3172.4-77.7-165.8-15.800109.3R589 L612 T613R589-Q591 PolarHBondContact O-N 3.29Å; Q591-L612 WeakPolarHBondContact O-CA 3.48Å; Q591-L612 PolarHBondContact O-N 2.86Å; Q591-T613 PolarHBondContact N-OG1 3.48Å; Q591-T613 VanDerWaalsContact N-OG1 3.14Å
592I78.9Confident65.3Low84 Ų84116 Ų11643%0.43166%0.655SS.*EExtended strand (participates in β ladder)trans-109124.5-178.9-61.2170.8000107.9L594 K609I592-L594 HydrophobicContact CG2-CD2 4.25Å; I592-L594 HydrophobicContact CG2-CG 4.34Å; I592-K609 HydrophobicContact CG2-CD 4.1Å; I592-K609 HydrophobicContact CG2-CG 3.64Å
593F76.8Confident65.8Low109 Ų109115.8 Ų115.848%0.47866%0.661SS.*EExtended strand (participates in β ladder)trans-99.7132.2172.4-173.2-106.2000109.9E595 V610 L612F593-E595 HydrophobicContact CD1-CB 4.4Å; F593-E595 HydrophobicContact CE1-CB 3.86Å; F593-E595 HydrophobicContact CE1-CG 4.36Å; F593-V610 PolarHBondContact N-O 2.7Å; F593-V610 PolarHBondContact O-N 3.34Å; F593-L612 HydrophobicContact CB-CD1 3.72Å; F593-L612 HydrophobicContact CB-CG 4.35Å; F593-L612 HydrophobicContact CG-CD1 4.46Å
594L80.3Confident66.3Low78 Ų78112.5 Ų112.541%0.40865%0.647SS.*EExtended strand (participates in β ladder)trans-118.7118.2178.8-65173.3000108.6I592 L597 M607 K609I592-L594 HydrophobicContact CG2-CD2 4.25Å; I592-L594 HydrophobicContact CG2-CG 4.34Å; L594-L597 HydrophobicContact CB-CD1 4.04Å; L594-L597 HydrophobicContact CD1-CD1 4.38Å; L594-M607 HydrophobicContact CD2-SD 4.18Å; L594-K609 HydrophobicContact CD2-CB 3.6Å; L594-K609 HydrophobicContact CD2-CD 4.2Å; L594-K609 HydrophobicContact CD2-CG 3.59Å
595E69.3Low66.3Low126 Ų126111.2 Ų111.259%0.58964%0.643SS**EExtended strand (participates in β ladder)trans-112.3151.4178.4-167172.4-156.300110.8F593 V608F593-E595 HydrophobicContact CD1-CB 4.4Å; F593-E595 HydrophobicContact CE1-CB 3.86Å; F593-E595 HydrophobicContact CE1-CG 4.36Å; E595-V608 PolarHBondContact N-O 3.45Å; E595-V608 PolarHBondContact O-N 3.49Å; E595-V608 VanDerWaalsContact O-N 3.09Å
596G69.8Low66.5Low34 Ų34113 Ų11335%0.35164%0.639SS.*SBendtrans94.55.4176.300000115.7
597L68Low67.1Low118 Ų118111.5 Ų111.562%0.61863%0.628SS**  trans-83.3-11.6178.7-68.6170.6000114.4L594 M607L594-L597 HydrophobicContact CB-CD1 4.04Å; L594-L597 HydrophobicContact CD1-CD1 4.38Å; L597-M607 HydrophobicContact CD2-CG 4.32Å; L597-M607 HydrophobicContact CD2-SD 4.16Å; L597-M607 HydrophobicContact CG-CG 4.48Å
598R62.9Low67.6Low244 Ų244109.7 Ų109.792%0.92162%0.617SS**SBendtrans-100.890.3172.1-65.7-173.3-170.9-144.22.8107.8G600R598-G600 PolarHBondContact O-N 3.19Å
599G61.8Low68.4Low67 Ų67113.1 Ų113.169%0.69163%0.626SS**  trans-41115.6-170.300000114.4
600G63Low68.9Low58 Ų58105.7 Ų105.760%0.59861%0.605SS**  trans-84.5173.8167.600000111.5R598 S602R598-G600 PolarHBondContact O-N 3.19Å; G600-S602 PolarHBondContact O-N 2.95Å
601S58.8Low69.3Low142 Ų142105.9 Ų105.999%0.99360%0.601SS**SBendtrans-64.17.5-169.5-48.50000116.9
602S60Low69.5Low79 Ų79104 Ų10455%0.55260%0.595SS**SBendtrans-95.3141.9174.854.60000111.4G600 T604G600-S602 PolarHBondContact O-N 2.95Å; S602-T604 PolarHBondContact O-N 3.43Å
603P61.1Low69.4Low138 Ų138102.4 Ų102.490%0.89659%0.588SS**SBendtrans-67.5-9.9-172-17.530.6000115.4
604T62.2Low69.1Low93 Ų93105.5 Ų105.557%0.57160%0.597SS**SBendtrans-130.1118-176-18.60000109.3S602 H606S602-T604 PolarHBondContact O-N 3.43Å; T604-H606 PolarHBondContact O-N 2.78Å
605A60.9Low68.5Low77 Ų77104.1 Ų104.164%0.63660%0.597SS**  trans-82.4112.3179.200000110.1
606H62.5Low68.3Low149 Ų149101.1 Ų101.169%0.6959%0.587SS**  trans-92.1111.5171.6-74.3-75.3000109.5T604T604-H606 PolarHBondContact O-N 2.78Å
607M72.5Confident68.1Low112 Ų112107 Ų10755%0.55261%0.61SS**  trans-80.6124.1175-177.6-174.571.300109.9L594 L597L594-M607 HydrophobicContact CD2-SD 4.18Å; L597-M607 HydrophobicContact CD2-CG 4.32Å; L597-M607 HydrophobicContact CD2-SD 4.16Å; L597-M607 HydrophobicContact CG-CG 4.48Å
608V74Confident67.7Low80 Ų80108 Ų10849%0.48561%0.612SS.*EExtended strand (participates in β ladder)trans-106.8125.1172.3-176.50000108.6E595 V610E595-V608 PolarHBondContact N-O 3.45Å; E595-V608 PolarHBondContact O-N 3.49Å; E595-V608 VanDerWaalsContact O-N 3.09Å; V608-V610 HydrophobicContact CG1-CG2 4.03Å
609K81.2Confident67.4Low133 Ų133103.7 Ų103.758%0.57861%0.613SS**EExtended strand (participates in β ladder)trans-106.1120.5176.5-180-178.8-177.3-168.90109.1I592 L594I592-K609 HydrophobicContact CG2-CD 4.1Å; I592-K609 HydrophobicContact CG2-CG 3.64Å; L594-K609 HydrophobicContact CD2-CB 3.6Å; L594-K609 HydrophobicContact CD2-CD 4.2Å; L594-K609 HydrophobicContact CD2-CG 3.59Å
610V77.9Confident67.6Low65 Ų65105.6 Ų105.639%0.39461%0.609SS.*EExtended strand (participates in β ladder)trans-118.7129.8176.6-172.50000109.1F593 V608 L612F593-V610 PolarHBondContact N-O 2.7Å; F593-V610 PolarHBondContact O-N 3.34Å; V608-V610 HydrophobicContact CG1-CG2 4.03Å; V610-L612 HydrophobicContact CG1-CD2 3.97Å; V610-L612 HydrophobicContact CG1-CG 4.5Å
611D78.8Confident67.9Low106 Ų106108.1 Ų108.157%0.56761%0.61SS**EExtended strand (participates in β ladder)trans-89.2120.7173.7-165.6-17.8000109.1T613D611-T613 VanDerWaalsContact OD1-CB 3.22Å; D611-T613 WeakPolarHBondContact OD1-CB 3.36Å; D611-T613 PolarHBondContact OD1-N 3.33Å; D611-T613 PolarHBondContact OD1-OG1 3.32Å
612L78.5Confident68.4Low93 Ų93106.2 Ų106.249%0.48759%0.589SS.*  trans-110.216.9-179.1-60.3177000111.7Q591 F593 V610 R614Q591-L612 WeakPolarHBondContact O-CA 3.48Å; Q591-L612 PolarHBondContact O-N 2.86Å; F593-L612 HydrophobicContact CB-CD1 3.72Å; F593-L612 HydrophobicContact CB-CG 4.35Å; F593-L612 HydrophobicContact CG-CD1 4.46Å; V610-L612 HydrophobicContact CG1-CD2 3.97Å; V610-L612 HydrophobicContact CG1-CG 4.5Å; L612-R614 PolarHBondContact O-N 2.97Å; L612-R614 VanDerWaalsContact O-N 3.17Å
613T78.1Confident68.9Low49 Ų49107.8 Ų107.830%0.30159%0.591SS.*PPolyproline II helixtrans-63116.5-179.5-52.80000110.6P588 P590 Q591 D611P588-T613 HydrophobicContact CB-CG2 4.21Å; P590-T613 VanDerWaalsContact CA-OG1 3.22Å; P590-T613 WeakPolarHBondContact CA-OG1 2.99Å; Q591-T613 PolarHBondContact N-OG1 3.48Å; Q591-T613 VanDerWaalsContact N-OG1 3.14Å; D611-T613 VanDerWaalsContact OD1-CB 3.22Å; D611-T613 WeakPolarHBondContact OD1-CB 3.36Å; D611-T613 PolarHBondContact OD1-N 3.33Å; D611-T613 PolarHBondContact OD1-OG1 3.32Å
614R70.7Confident69.4Low174 Ų174105.9 Ų105.966%0.65757%0.572SS**PPolyproline II helixtrans-80.8145175.9-67.2-174173-172.6-3.6111.2P588 L612P588-R614 VanDerWaalsContact CB-O 3.3Å; P588-R614 WeakPolarHBondContact CB-O 3.02Å; L612-R614 PolarHBondContact O-N 2.97Å; L612-R614 VanDerWaalsContact O-N 3.17Å
615A67.4Low69.8Low50 Ų50106.7 Ų106.741%0.41357%0.572SS.*PPolyproline II helixtrans-68.5151.3172.800000110.6D617 E618A615-D617 PolarHBondContact O-N 3.41Å; A615-D617 VanDerWaalsContact O-N 3.09Å; A615-E618 PolarHBondContact O-N 3.45Å; A615-E618 VanDerWaalsContact O-N 3.09Å
616V64.9Low70.5Confident63 Ų63108.9 Ų108.938%0.38257%0.567SS.*G310 helixtrans-60.4-22.9-176-178.10000112.4P588 E618 T619P588-V616 HydrophobicContact CB-CG2 3.88Å; P588-V616 VanDerWaalsContact CD-CG2 3.45Å; P588-V616 HydrophobicContact CG-CG2 3.74Å; V616-E618 VanDerWaalsContact C-N 3.28Å; V616-E618 PolarHBondContact O-N 3.34Å; V616-T619 PolarHBondContact O-OG1 3.21Å
617D64.7Low71.1Confident156 Ų156105.8 Ų105.883%0.83456%0.558SS**G310 helixtrans-82.2-5.5-177.4-45.4-33000112.9A615A615-D617 PolarHBondContact O-N 3.41Å; A615-D617 VanDerWaalsContact O-N 3.09Å
618E58.9Low71Confident139 Ų139105.3 Ų105.365%0.6556%0.558SS**G310 helixtrans-114.410.2-177.4-62.2-17516500113.7A615 V616A615-E618 PolarHBondContact O-N 3.45Å; A615-E618 VanDerWaalsContact O-N 3.09Å; V616-E618 VanDerWaalsContact C-N 3.28Å; V616-E618 PolarHBondContact O-N 3.34Å
619T56.6Low70.7Confident155 Ų155107.5 Ų107.595%0.95157%0.565SS**  trans-118.80174.449.90000111V616V616-T619 PolarHBondContact O-OG1 3.21Å

Retrieved 619 of 619 residues in 1247.2 ms (Link to these results)

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